data_26573 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26573 _Entry.Title ; Tom1 negatively modulates binding of Tollip to phosphatidylinositol 3-phosphate via a coupled folding and binding mechanism ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-05-08 _Entry.Accession_date 2015-05-08 _Entry.Last_release_date 2015-12-22 _Entry.Original_release_date 2015-12-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _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.Entry_ID 1 Shuyan Xiao . . . 26573 2 Daniel Capelluto . . . 26573 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26573 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 142 26573 '15N chemical shifts' 47 26573 '1H chemical shifts' 47 26573 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-12-22 . original BMRB . 26573 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26573 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26320582 _Citation.Full_citation . _Citation.Title ; Tom1 Modulates Binding of Tollip to Phosphatidylinositol 3-Phosphate via a Coupled Folding and Binding Mechanism ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 10 _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 1910 _Citation.Page_last 1920 _Citation.Year 2015 _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.Entry_ID _Citation_author.Citation_ID 1 Shuyan Xiao . . . 26573 1 2 Mary Brannon . K. . 26573 1 3 Xiaolin Zhao . . . 26573 1 4 Kristen Fread . I. . 26573 1 5 Jeffrey Ellena . F. . 26573 1 6 John Bushweller . H. . 26573 1 7 Carla Finkielstein . V. . 26573 1 8 Geoffrey Armstrong . S. . 26573 1 9 Daniel Capelluto . G.S. . 26573 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26573 _Assembly.ID 1 _Assembly.Name TBD _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 TBD 1 $TBD A . yes 'intrinsically disordered' no no . . . 26573 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TBD _Entity.Sf_category entity _Entity.Sf_framecode TBD _Entity.Entry_ID 26573 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TBD _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 ; GPLGSMATTVSTQRGPVYIG ELPQDFLRITPTQQQRQVQL DAQAAQQLQYGGAVGTVG ; _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 58 _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 -4 GLY . 26573 1 2 -3 PRO . 26573 1 3 -2 LEU . 26573 1 4 -1 GLY . 26573 1 5 0 SER . 26573 1 6 1 MET . 26573 1 7 2 ALA . 26573 1 8 3 THR . 26573 1 9 4 THR . 26573 1 10 5 VAL . 26573 1 11 6 SER . 26573 1 12 7 THR . 26573 1 13 8 GLN . 26573 1 14 9 ARG . 26573 1 15 10 GLY . 26573 1 16 11 PRO . 26573 1 17 12 VAL . 26573 1 18 13 TYR . 26573 1 19 14 ILE . 26573 1 20 15 GLY . 26573 1 21 16 GLU . 26573 1 22 17 LEU . 26573 1 23 18 PRO . 26573 1 24 19 GLN . 26573 1 25 20 ASP . 26573 1 26 21 PHE . 26573 1 27 22 LEU . 26573 1 28 23 ARG . 26573 1 29 24 ILE . 26573 1 30 25 THR . 26573 1 31 26 PRO . 26573 1 32 27 THR . 26573 1 33 28 GLN . 26573 1 34 29 GLN . 26573 1 35 30 GLN . 26573 1 36 31 ARG . 26573 1 37 32 GLN . 26573 1 38 33 VAL . 26573 1 39 34 GLN . 26573 1 40 35 LEU . 26573 1 41 36 ASP . 26573 1 42 37 ALA . 26573 1 43 38 GLN . 26573 1 44 39 ALA . 26573 1 45 40 ALA . 26573 1 46 41 GLN . 26573 1 47 42 GLN . 26573 1 48 43 LEU . 26573 1 49 44 GLN . 26573 1 50 45 TYR . 26573 1 51 46 GLY . 26573 1 52 47 GLY . 26573 1 53 48 ALA . 26573 1 54 49 VAL . 26573 1 55 50 GLY . 26573 1 56 51 THR . 26573 1 57 52 VAL . 26573 1 58 53 GLY . 26573 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 26573 1 . PRO 2 2 26573 1 . LEU 3 3 26573 1 . GLY 4 4 26573 1 . SER 5 5 26573 1 . MET 6 6 26573 1 . ALA 7 7 26573 1 . THR 8 8 26573 1 . THR 9 9 26573 1 . VAL 10 10 26573 1 . SER 11 11 26573 1 . THR 12 12 26573 1 . GLN 13 13 26573 1 . ARG 14 14 26573 1 . GLY 15 15 26573 1 . PRO 16 16 26573 1 . VAL 17 17 26573 1 . TYR 18 18 26573 1 . ILE 19 19 26573 1 . GLY 20 20 26573 1 . GLU 21 21 26573 1 . LEU 22 22 26573 1 . PRO 23 23 26573 1 . GLN 24 24 26573 1 . ASP 25 25 26573 1 . PHE 26 26 26573 1 . LEU 27 27 26573 1 . ARG 28 28 26573 1 . ILE 29 29 26573 1 . THR 30 30 26573 1 . PRO 31 31 26573 1 . THR 32 32 26573 1 . GLN 33 33 26573 1 . GLN 34 34 26573 1 . GLN 35 35 26573 1 . ARG 36 36 26573 1 . GLN 37 37 26573 1 . VAL 38 38 26573 1 . GLN 39 39 26573 1 . LEU 40 40 26573 1 . ASP 41 41 26573 1 . ALA 42 42 26573 1 . GLN 43 43 26573 1 . ALA 44 44 26573 1 . ALA 45 45 26573 1 . GLN 46 46 26573 1 . GLN 47 47 26573 1 . LEU 48 48 26573 1 . GLN 49 49 26573 1 . TYR 50 50 26573 1 . GLY 51 51 26573 1 . GLY 52 52 26573 1 . ALA 53 53 26573 1 . VAL 54 54 26573 1 . GLY 55 55 26573 1 . THR 56 56 26573 1 . VAL 57 57 26573 1 . GLY 58 58 26573 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 26573 _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 $TBD . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 26573 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 26573 _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 $TBD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . PGEX-6P-1 . . . 26573 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26573 _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 TBD '[U-99% 13C; U-99% 15N]' . . 1 $TBD . . 1.0 . . mM . . . . 26573 1 2 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26573 1 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 26573 1 4 TRIS [U-2H] . . . . . . 20 . . mM . . . . 26573 1 5 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 26573 1 6 DTT [U-2H] . . . . . . 1 . . mM . . . . 26573 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 26573 _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' 70 . mM 26573 1 pH 7.0 . pH 26573 1 pressure 1 . atm 26573 1 temperature 298 . K 26573 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26573 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26573 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26573 1 Goddard . . 26573 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26573 1 processing 26573 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 26573 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 26573 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 26573 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 26573 _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 . . . . . . . . . . . . . . . . 26573 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26573 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26573 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26573 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26573 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 26573 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 26573 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 26573 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 26573 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 26573 _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' . . . 26573 1 2 '3D HNCO' . . . 26573 1 3 '3D HNCACB' . . . 26573 1 4 '3D CBCA(CO)NH' . . . 26573 1 5 '3D HCACO' . . . 26573 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 6 6 MET H H 1 8.420 0.001 . . . . . . 1 M HN . 26573 1 2 . 1 1 6 6 MET C C 13 173.354 0.009 . . . . . . 1 M CO . 26573 1 3 . 1 1 6 6 MET CA C 13 52.999 0.000 . . . . . . 1 M CA . 26573 1 4 . 1 1 6 6 MET CB C 13 30.018 0.000 . . . . . . 1 M CB . 26573 1 5 . 1 1 6 6 MET N N 15 122.157 0.024 . . . . . . 1 M N . 26573 1 6 . 1 1 7 7 ALA H H 1 8.284 0.003 . . . . . . 2 A HN . 26573 1 7 . 1 1 7 7 ALA C C 13 175.219 0.023 . . . . . . 2 A CO . 26573 1 8 . 1 1 7 7 ALA CA C 13 50.135 0.000 . . . . . . 2 A CA . 26573 1 9 . 1 1 7 7 ALA CB C 13 16.450 0.000 . . . . . . 2 A CB . 26573 1 10 . 1 1 7 7 ALA N N 15 124.987 0.042 . . . . . . 2 A N . 26573 1 11 . 1 1 8 8 THR H H 1 8.147 0.003 . . . . . . 3 T HN . 26573 1 12 . 1 1 8 8 THR C C 13 172.038 0.003 . . . . . . 3 T CO . 26573 1 13 . 1 1 8 8 THR CA C 13 59.331 0.000 . . . . . . 3 T CA . 26573 1 14 . 1 1 8 8 THR CB C 13 67.242 0.000 . . . . . . 3 T CB . 26573 1 15 . 1 1 8 8 THR N N 15 113.165 0.033 . . . . . . 3 T N . 26573 1 16 . 1 1 9 9 THR H H 1 8.137 0.003 . . . . . . 4 T HN . 26573 1 17 . 1 1 9 9 THR C C 13 171.825 0.000 . . . . . . 4 T CO . 26573 1 18 . 1 1 9 9 THR N N 15 116.714 0.030 . . . . . . 4 T N . 26573 1 19 . 1 1 10 10 VAL C C 13 173.618 0.000 . . . . . . 5 V CO . 26573 1 20 . 1 1 10 10 VAL CA C 13 59.601 0.000 . . . . . . 5 V CA . 26573 1 21 . 1 1 10 10 VAL CB C 13 29.977 0.000 . . . . . . 5 V CB . 26573 1 22 . 1 1 11 11 SER H H 1 8.446 0.005 . . . . . . 6 S HN . 26573 1 23 . 1 1 11 11 SER C C 13 172.252 0.019 . . . . . . 6 S CO . 26573 1 24 . 1 1 11 11 SER CA C 13 55.769 0.000 . . . . . . 6 S CA . 26573 1 25 . 1 1 11 11 SER CB C 13 61.309 0.000 . . . . . . 6 S CB . 26573 1 26 . 1 1 11 11 SER N N 15 119.463 0.024 . . . . . . 6 S N . 26573 1 27 . 1 1 12 12 THR H H 1 8.166 0.005 . . . . . . 7 T HN . 26573 1 28 . 1 1 12 12 THR C C 13 171.918 0.022 . . . . . . 7 T CO . 26573 1 29 . 1 1 12 12 THR CA C 13 59.419 0.000 . . . . . . 7 T CA . 26573 1 30 . 1 1 12 12 THR CB C 13 67.166 0.000 . . . . . . 7 T CB . 26573 1 31 . 1 1 12 12 THR N N 15 115.975 0.057 . . . . . . 7 T N . 26573 1 32 . 1 1 13 13 GLN H H 1 8.334 0.003 . . . . . . 8 Q HN . 26573 1 33 . 1 1 13 13 GLN C C 13 173.140 0.019 . . . . . . 8 Q CO . 26573 1 34 . 1 1 13 13 GLN CA C 13 53.539 0.000 . . . . . . 8 Q CA . 26573 1 35 . 1 1 13 13 GLN CB C 13 26.696 0.000 . . . . . . 8 Q CB . 26573 1 36 . 1 1 13 13 GLN N N 15 122.578 0.057 . . . . . . 8 Q N . 26573 1 37 . 1 1 14 14 ARG H H 1 8.397 0.004 . . . . . . 9 R HN . 26573 1 38 . 1 1 14 14 ARG C C 13 173.647 0.031 . . . . . . 9 R CO . 26573 1 39 . 1 1 14 14 ARG CA C 13 53.609 0.000 . . . . . . 9 R CA . 26573 1 40 . 1 1 14 14 ARG CB C 13 28.128 0.000 . . . . . . 9 R CB . 26573 1 41 . 1 1 14 14 ARG N N 15 122.508 0.045 . . . . . . 9 R N . 26573 1 42 . 1 1 15 15 GLY H H 1 8.235 0.003 . . . . . . 10 G HN . 26573 1 43 . 1 1 15 15 GLY C C 13 168.891 0.000 . . . . . . 10 G CO . 26573 1 44 . 1 1 15 15 GLY CA C 13 41.882 0.000 . . . . . . 10 G CA . 26573 1 45 . 1 1 15 15 GLY N N 15 110.192 0.026 . . . . . . 10 G N . 26573 1 46 . 1 1 16 16 PRO C C 13 174.077 0.057 . . . . . . 11 P CO . 26573 1 47 . 1 1 16 16 PRO CA C 13 60.534 0.000 . . . . . . 11 P CA . 26573 1 48 . 1 1 16 16 PRO CB C 13 29.325 0.000 . . . . . . 11 P CB . 26573 1 49 . 1 1 17 17 VAL H H 1 8.149 0.004 . . . . . . 12 V HN . 26573 1 50 . 1 1 17 17 VAL C C 13 172.920 0.021 . . . . . . 12 V CO . 26573 1 51 . 1 1 17 17 VAL CA C 13 59.595 0.000 . . . . . . 12 V CA . 26573 1 52 . 1 1 17 17 VAL CB C 13 30.135 0.000 . . . . . . 12 V CB . 26573 1 53 . 1 1 17 17 VAL N N 15 120.012 0.023 . . . . . . 12 V N . 26573 1 54 . 1 1 18 18 TYR H H 1 8.309 0.003 . . . . . . 13 Y HN . 26573 1 55 . 1 1 18 18 TYR C C 13 172.719 0.010 . . . . . . 13 Y CO . 26573 1 56 . 1 1 18 18 TYR CA C 13 55.247 0.000 . . . . . . 13 Y CA . 26573 1 57 . 1 1 18 18 TYR CB C 13 36.350 0.000 . . . . . . 13 Y CB . 26573 1 58 . 1 1 18 18 TYR N N 15 124.797 0.037 . . . . . . 13 Y N . 26573 1 59 . 1 1 19 19 ILE H H 1 8.103 0.002 . . . . . . 14 I HN . 26573 1 60 . 1 1 19 19 ILE C C 13 173.380 0.062 . . . . . . 14 I CO . 26573 1 61 . 1 1 19 19 ILE CA C 13 58.392 0.000 . . . . . . 14 I CA . 26573 1 62 . 1 1 19 19 ILE CB C 13 36.092 0.000 . . . . . . 14 I CB . 26573 1 63 . 1 1 19 19 ILE N N 15 124.054 0.022 . . . . . . 14 I N . 26573 1 64 . 1 1 20 20 GLY H H 1 7.858 0.006 . . . . . . 15 G HN . 26573 1 65 . 1 1 20 20 GLY C C 13 170.731 0.019 . . . . . . 15 G CO . 26573 1 66 . 1 1 20 20 GLY CA C 13 42.318 0.000 . . . . . . 15 G CA . 26573 1 67 . 1 1 20 20 GLY N N 15 112.115 0.034 . . . . . . 15 G N . 26573 1 68 . 1 1 21 21 GLU H H 1 8.207 0.004 . . . . . . 16 E HN . 26573 1 69 . 1 1 21 21 GLU C C 13 173.738 0.000 . . . . . . 16 E CO . 26573 1 70 . 1 1 21 21 GLU CA C 13 53.703 0.000 . . . . . . 16 E CA . 26573 1 71 . 1 1 21 21 GLU CB C 13 27.846 0.000 . . . . . . 16 E CB . 26573 1 72 . 1 1 21 21 GLU N N 15 120.169 0.056 . . . . . . 16 E N . 26573 1 73 . 1 1 22 22 LEU H H 1 8.366 0.001 . . . . . . 17 L HN . 26573 1 74 . 1 1 22 22 LEU N N 15 124.795 0.001 . . . . . . 17 L N . 26573 1 75 . 1 1 23 23 PRO C C 13 174.606 0.046 . . . . . . 18 P CO . 26573 1 76 . 1 1 23 23 PRO CA C 13 60.734 0.000 . . . . . . 18 P CA . 26573 1 77 . 1 1 23 23 PRO CB C 13 29.126 0.000 . . . . . . 18 P CB . 26573 1 78 . 1 1 24 24 GLN H H 1 8.508 0.003 . . . . . . 19 Q HN . 26573 1 79 . 1 1 24 24 GLN C C 13 173.383 0.002 . . . . . . 19 Q CO . 26573 1 80 . 1 1 24 24 GLN CA C 13 53.727 0.000 . . . . . . 19 Q CA . 26573 1 81 . 1 1 24 24 GLN CB C 13 26.544 0.000 . . . . . . 19 Q CB . 26573 1 82 . 1 1 24 24 GLN N N 15 120.181 0.025 . . . . . . 19 Q N . 26573 1 83 . 1 1 25 25 ASP H H 1 8.313 0.002 . . . . . . 20 D HN . 26573 1 84 . 1 1 25 25 ASP C C 13 173.666 0.078 . . . . . . 20 D CO . 26573 1 85 . 1 1 25 25 ASP CA C 13 51.990 0.000 . . . . . . 20 D CA . 26573 1 86 . 1 1 25 25 ASP CB C 13 38.234 0.000 . . . . . . 20 D CB . 26573 1 87 . 1 1 25 25 ASP N N 15 120.307 0.062 . . . . . . 20 D N . 26573 1 88 . 1 1 26 26 PHE H H 1 7.964 0.004 . . . . . . 21 F HN . 26573 1 89 . 1 1 26 26 PHE C C 13 173.153 0.027 . . . . . . 21 F CO . 26573 1 90 . 1 1 26 26 PHE CA C 13 55.675 0.000 . . . . . . 21 F CA . 26573 1 91 . 1 1 26 26 PHE CB C 13 36.497 0.000 . . . . . . 21 F CB . 26573 1 92 . 1 1 26 26 PHE N N 15 119.823 0.045 . . . . . . 21 F N . 26573 1 93 . 1 1 27 27 LEU H H 1 8.002 0.003 . . . . . . 22 L HN . 26573 1 94 . 1 1 27 27 LEU C C 13 174.269 0.027 . . . . . . 22 L CO . 26573 1 95 . 1 1 27 27 LEU CA C 13 52.794 0.000 . . . . . . 22 L CA . 26573 1 96 . 1 1 27 27 LEU CB C 13 39.478 0.000 . . . . . . 22 L CB . 26573 1 97 . 1 1 27 27 LEU N N 15 122.055 0.045 . . . . . . 22 L N . 26573 1 98 . 1 1 28 28 ARG H H 1 8.034 0.004 . . . . . . 23 R HN . 26573 1 99 . 1 1 28 28 ARG C C 13 173.321 0.039 . . . . . . 23 R CO . 26573 1 100 . 1 1 28 28 ARG CA C 13 53.398 0.000 . . . . . . 23 R CA . 26573 1 101 . 1 1 28 28 ARG CB C 13 27.717 0.000 . . . . . . 23 R CB . 26573 1 102 . 1 1 28 28 ARG N N 15 121.233 0.027 . . . . . . 23 R N . 26573 1 103 . 1 1 29 29 ILE H H 1 8.037 0.004 . . . . . . 24 I HN . 26573 1 104 . 1 1 29 29 ILE C C 13 173.435 0.012 . . . . . . 24 I CO . 26573 1 105 . 1 1 29 29 ILE CA C 13 58.286 0.000 . . . . . . 24 I CA . 26573 1 106 . 1 1 29 29 ILE CB C 13 36.092 0.000 . . . . . . 24 I CB . 26573 1 107 . 1 1 29 29 ILE N N 15 121.581 0.030 . . . . . . 24 I N . 26573 1 108 . 1 1 30 30 THR H H 1 8.293 0.004 . . . . . . 25 T HN . 26573 1 109 . 1 1 30 30 THR C C 13 170.320 0.000 . . . . . . 25 T CO . 26573 1 110 . 1 1 30 30 THR CA C 13 57.518 0.000 . . . . . . 25 T CA . 26573 1 111 . 1 1 30 30 THR CB C 13 67.237 0.000 . . . . . . 25 T CB . 26573 1 112 . 1 1 30 30 THR N N 15 121.079 0.035 . . . . . . 25 T N . 26573 1 113 . 1 1 31 31 PRO C C 13 174.811 0.016 . . . . . . 26 P CO . 26573 1 114 . 1 1 31 31 PRO CA C 13 61.045 0.000 . . . . . . 26 P CA . 26573 1 115 . 1 1 31 31 PRO CB C 13 29.343 0.000 . . . . . . 26 P CB . 26573 1 116 . 1 1 32 32 THR H H 1 8.180 0.003 . . . . . . 27 T HN . 26573 1 117 . 1 1 32 32 THR C C 13 172.475 0.028 . . . . . . 27 T CO . 26573 1 118 . 1 1 32 32 THR CA C 13 59.677 0.000 . . . . . . 27 T CA . 26573 1 119 . 1 1 32 32 THR CB C 13 67.224 0.000 . . . . . . 27 T CB . 26573 1 120 . 1 1 32 32 THR N N 15 113.803 0.019 . . . . . . 27 T N . 26573 1 121 . 1 1 33 33 GLN H H 1 8.392 0.005 . . . . . . 28 Q HN . 26573 1 122 . 1 1 33 33 GLN C C 13 173.759 0.000 . . . . . . 28 Q CO . 26573 1 123 . 1 1 33 33 GLN CA C 13 53.645 0.000 . . . . . . 28 Q CA . 26573 1 124 . 1 1 33 33 GLN CB C 13 26.791 0.000 . . . . . . 28 Q CB . 26573 1 125 . 1 1 33 33 GLN N N 15 122.141 0.039 . . . . . . 28 Q N . 26573 1 126 . 1 1 35 35 GLN C C 13 173.849 0.005 . . . . . . 30 Q CO . 26573 1 127 . 1 1 36 36 ARG H H 1 8.316 0.001 . . . . . . 31 R HN . 26573 1 128 . 1 1 36 36 ARG C C 13 173.873 0.000 . . . . . . 31 R CO . 26573 1 129 . 1 1 36 36 ARG CA C 13 54.290 0.000 . . . . . . 31 R CA . 26573 1 130 . 1 1 36 36 ARG CB C 13 27.940 0.000 . . . . . . 31 R CB . 26573 1 131 . 1 1 36 36 ARG N N 15 121.740 0.049 . . . . . . 31 R N . 26573 1 132 . 1 1 37 37 GLN H H 1 8.373 0.001 . . . . . . 32 Q HN . 26573 1 133 . 1 1 37 37 GLN C C 13 173.606 0.009 . . . . . . 32 Q CO . 26573 1 134 . 1 1 37 37 GLN CA C 13 53.844 0.000 . . . . . . 32 Q CA . 26573 1 135 . 1 1 37 37 GLN CB C 13 26.379 0.000 . . . . . . 32 Q CB . 26573 1 136 . 1 1 37 37 GLN N N 15 121.512 0.013 . . . . . . 32 Q N . 26573 1 137 . 1 1 38 38 VAL H H 1 8.101 0.003 . . . . . . 33 V HN . 26573 1 138 . 1 1 38 38 VAL C C 13 173.820 0.024 . . . . . . 33 V CO . 26573 1 139 . 1 1 38 38 VAL CA C 13 60.763 0.000 . . . . . . 33 V CA . 26573 1 140 . 1 1 38 38 VAL CB C 13 29.695 0.000 . . . . . . 33 V CB . 26573 1 141 . 1 1 38 38 VAL N N 15 120.898 0.047 . . . . . . 33 V N . 26573 1 142 . 1 1 39 39 GLN H H 1 8.290 0.003 . . . . . . 34 Q HN . 26573 1 143 . 1 1 39 39 GLN C C 13 173.748 0.034 . . . . . . 34 Q CO . 26573 1 144 . 1 1 39 39 GLN CA C 13 53.709 0.000 . . . . . . 34 Q CA . 26573 1 145 . 1 1 39 39 GLN CB C 13 26.338 0.000 . . . . . . 34 Q CB . 26573 1 146 . 1 1 39 39 GLN N N 15 123.232 0.031 . . . . . . 34 Q N . 26573 1 147 . 1 1 40 40 LEU H H 1 8.312 0.005 . . . . . . 35 L HN . 26573 1 148 . 1 1 40 40 LEU C C 13 175.171 0.008 . . . . . . 35 L CO . 26573 1 149 . 1 1 40 40 LEU CA C 13 53.592 0.000 . . . . . . 35 L CA . 26573 1 150 . 1 1 40 40 LEU CB C 13 39.759 0.000 . . . . . . 35 L CB . 26573 1 151 . 1 1 40 40 LEU N N 15 123.778 0.050 . . . . . . 35 L N . 26573 1 152 . 1 1 41 41 ASP H H 1 8.392 0.001 . . . . . . 36 D HN . 26573 1 153 . 1 1 41 41 ASP C C 13 174.158 0.015 . . . . . . 36 D CO . 26573 1 154 . 1 1 41 41 ASP CA C 13 52.036 0.000 . . . . . . 36 D CA . 26573 1 155 . 1 1 41 41 ASP CB C 13 38.140 0.000 . . . . . . 36 D CB . 26573 1 156 . 1 1 41 41 ASP N N 15 121.158 0.023 . . . . . . 36 D N . 26573 1 157 . 1 1 42 42 ALA H H 1 8.220 0.003 . . . . . . 37 A HN . 26573 1 158 . 1 1 42 42 ALA C C 13 176.256 0.013 . . . . . . 37 A CO . 26573 1 159 . 1 1 42 42 ALA CA C 13 51.356 0.000 . . . . . . 37 A CA . 26573 1 160 . 1 1 42 42 ALA CB C 13 16.004 0.000 . . . . . . 37 A CB . 26573 1 161 . 1 1 42 42 ALA N N 15 124.225 0.053 . . . . . . 37 A N . 26573 1 162 . 1 1 43 43 GLN H H 1 8.228 0.004 . . . . . . 38 Q HN . 26573 1 163 . 1 1 43 43 GLN C C 13 174.288 0.003 . . . . . . 38 Q CO . 26573 1 164 . 1 1 43 43 GLN CA C 13 54.267 0.000 . . . . . . 38 Q CA . 26573 1 165 . 1 1 43 43 GLN CB C 13 26.121 0.000 . . . . . . 38 Q CB . 26573 1 166 . 1 1 43 43 GLN N N 15 118.212 0.052 . . . . . . 38 Q N . 26573 1 167 . 1 1 44 44 ALA H H 1 8.084 0.005 . . . . . . 39 A HN . 26573 1 168 . 1 1 44 44 ALA C C 13 175.895 0.009 . . . . . . 39 A CO . 26573 1 169 . 1 1 44 44 ALA CA C 13 50.745 0.000 . . . . . . 39 A CA . 26573 1 170 . 1 1 44 44 ALA CB C 13 16.051 0.000 . . . . . . 39 A CB . 26573 1 171 . 1 1 44 44 ALA N N 15 123.888 0.051 . . . . . . 39 A N . 26573 1 172 . 1 1 45 45 ALA H H 1 8.124 0.003 . . . . . . 40 A HN . 26573 1 173 . 1 1 45 45 ALA C C 13 175.977 0.009 . . . . . . 40 A CO . 26573 1 174 . 1 1 45 45 ALA CA C 13 50.698 0.000 . . . . . . 40 A CA . 26573 1 175 . 1 1 45 45 ALA CB C 13 15.980 0.000 . . . . . . 40 A CB . 26573 1 176 . 1 1 45 45 ALA N N 15 121.619 0.026 . . . . . . 40 A N . 26573 1 177 . 1 1 46 46 GLN H H 1 8.076 0.004 . . . . . . 41 Q HN . 26573 1 178 . 1 1 46 46 GLN C C 13 173.857 0.010 . . . . . . 41 Q CO . 26573 1 179 . 1 1 46 46 GLN CA C 13 54.073 0.000 . . . . . . 41 Q CA . 26573 1 180 . 1 1 46 46 GLN CB C 13 26.432 0.000 . . . . . . 41 Q CB . 26573 1 181 . 1 1 46 46 GLN N N 15 118.382 0.053 . . . . . . 41 Q N . 26573 1 182 . 1 1 47 47 GLN H H 1 8.316 0.003 . . . . . . 42 Q HN . 26573 1 183 . 1 1 47 47 GLN C C 13 173.802 0.019 . . . . . . 42 Q CO . 26573 1 184 . 1 1 47 47 GLN CA C 13 53.762 0.000 . . . . . . 42 Q CA . 26573 1 185 . 1 1 47 47 GLN CB C 13 26.309 0.000 . . . . . . 42 Q CB . 26573 1 186 . 1 1 47 47 GLN N N 15 121.113 0.046 . . . . . . 42 Q N . 26573 1 187 . 1 1 48 48 LEU H H 1 8.080 0.002 . . . . . . 43 L HN . 26573 1 188 . 1 1 48 48 LEU C C 13 174.837 0.034 . . . . . . 43 L CO . 26573 1 189 . 1 1 48 48 LEU CA C 13 53.328 0.000 . . . . . . 43 L CA . 26573 1 190 . 1 1 48 48 LEU CB C 13 39.513 0.000 . . . . . . 43 L CB . 26573 1 191 . 1 1 48 48 LEU N N 15 122.231 0.036 . . . . . . 43 L N . 26573 1 192 . 1 1 49 49 GLN H H 1 8.164 0.004 . . . . . . 44 Q HN . 26573 1 193 . 1 1 49 49 GLN C C 13 173.153 0.036 . . . . . . 44 Q CO . 26573 1 194 . 1 1 49 49 GLN CA C 13 53.562 0.000 . . . . . . 44 Q CA . 26573 1 195 . 1 1 49 49 GLN CB C 13 26.473 0.000 . . . . . . 44 Q CB . 26573 1 196 . 1 1 49 49 GLN N N 15 120.016 0.033 . . . . . . 44 Q N . 26573 1 197 . 1 1 50 50 TYR H H 1 8.190 0.004 . . . . . . 45 Y HN . 26573 1 198 . 1 1 50 50 TYR C C 13 173.869 0.010 . . . . . . 45 Y CO . 26573 1 199 . 1 1 50 50 TYR CA C 13 55.551 0.063 . . . . . . 45 Y CA . 26573 1 200 . 1 1 50 50 TYR CB C 13 35.973 0.007 . . . . . . 45 Y CB . 26573 1 201 . 1 1 50 50 TYR N N 15 120.704 0.027 . . . . . . 45 Y N . 26573 1 202 . 1 1 51 51 GLY H H 1 8.325 0.005 . . . . . . 46 G HN . 26573 1 203 . 1 1 51 51 GLY C C 13 171.945 0.038 . . . . . . 46 G CO . 26573 1 204 . 1 1 51 51 GLY CA C 13 42.773 0.045 . . . . . . 46 G CA . 26573 1 205 . 1 1 51 51 GLY N N 15 110.774 0.040 . . . . . . 46 G N . 26573 1 206 . 1 1 52 52 GLY H H 1 7.928 0.005 . . . . . . 47 G HN . 26573 1 207 . 1 1 52 52 GLY C C 13 170.951 0.017 . . . . . . 47 G CO . 26573 1 208 . 1 1 52 52 GLY CA C 13 42.389 0.000 . . . . . . 47 G CA . 26573 1 209 . 1 1 52 52 GLY N N 15 108.268 0.046 . . . . . . 47 G N . 26573 1 210 . 1 1 53 53 ALA H H 1 8.163 0.002 . . . . . . 48 A HN . 26573 1 211 . 1 1 53 53 ALA C C 13 175.184 0.010 . . . . . . 48 A CO . 26573 1 212 . 1 1 53 53 ALA CA C 13 49.882 0.028 . . . . . . 48 A CA . 26573 1 213 . 1 1 53 53 ALA CB C 13 16.473 0.000 . . . . . . 48 A CB . 26573 1 214 . 1 1 53 53 ALA N N 15 123.604 0.041 . . . . . . 48 A N . 26573 1 215 . 1 1 54 54 VAL H H 1 8.153 0.007 . . . . . . 49 V HN . 26573 1 216 . 1 1 54 54 VAL C C 13 174.065 0.021 . . . . . . 49 V CO . 26573 1 217 . 1 1 54 54 VAL CA C 13 59.882 0.004 . . . . . . 49 V CA . 26573 1 218 . 1 1 54 54 VAL CB C 13 29.881 0.051 . . . . . . 49 V CB . 26573 1 219 . 1 1 54 54 VAL N N 15 119.516 0.055 . . . . . . 49 V N . 26573 1 220 . 1 1 55 55 GLY H H 1 8.459 0.003 . . . . . . 50 G HN . 26573 1 221 . 1 1 55 55 GLY C C 13 171.452 0.032 . . . . . . 50 G CO . 26573 1 222 . 1 1 55 55 GLY CA C 13 42.358 0.006 . . . . . . 50 G CA . 26573 1 223 . 1 1 55 55 GLY N N 15 112.475 0.032 . . . . . . 50 G N . 26573 1 224 . 1 1 56 56 THR H H 1 8.060 0.003 . . . . . . 51 T HN . 26573 1 225 . 1 1 56 56 THR C C 13 171.858 0.040 . . . . . . 51 T CO . 26573 1 226 . 1 1 56 56 THR CA C 13 59.283 0.030 . . . . . . 51 T CA . 26573 1 227 . 1 1 56 56 THR CB C 13 67.411 0.075 . . . . . . 51 T CB . 26573 1 228 . 1 1 56 56 THR N N 15 114.176 0.032 . . . . . . 51 T N . 26573 1 229 . 1 1 57 57 VAL H H 1 8.216 0.005 . . . . . . 52 V HN . 26573 1 230 . 1 1 57 57 VAL C C 13 172.891 0.014 . . . . . . 52 V CO . 26573 1 231 . 1 1 57 57 VAL CA C 13 59.607 0.000 . . . . . . 52 V CA . 26573 1 232 . 1 1 57 57 VAL CB C 13 30.223 0.018 . . . . . . 52 V CB . 26573 1 233 . 1 1 57 57 VAL N N 15 122.418 0.077 . . . . . . 52 V N . 26573 1 234 . 1 1 58 58 GLY H H 1 8.048 0.003 . . . . . . 53 G HN . 26573 1 235 . 1 1 58 58 GLY CA C 13 43.481 0.000 . . . . . . 53 G CA . 26573 1 236 . 1 1 58 58 GLY N N 15 119.046 0.032 . . . . . . 53 G N . 26573 1 stop_ save_