data_27709 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27709 _Entry.Title ; Backbone assignment of mouse MARCH9 transmembrane domains in TDPC:SDS micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-12-02 _Entry.Accession_date 2018-12-02 _Entry.Last_release_date 2018-12-03 _Entry.Original_release_date 2018-12-03 _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 Cyrus Tan . . . . 27709 2 Eamon Byrne . F.X. . . 27709 3 Melissa Call . J. . . 27709 4 Matthew Call . E. . . 27709 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Walter and Eliza Hall Institute of Medical Research' . 27709 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27709 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 121 27709 '15N chemical shifts' 63 27709 '1H chemical shifts' 63 27709 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 . . 2019-02-18 2018-12-02 update BMRB 'update entry citation' 27709 1 . . 2018-12-12 2018-12-02 original author 'original release' 27709 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27543 'Backbone assignment of mouse MARCH9 transmembrane domains in LMPG micelles' 27709 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 27709 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30554144 _Citation.Full_citation . _Citation.Title ; A serine in the first transmembrane domain of the human E3 ubiquitin ligase MARCH9 is critical for down-regulation of its protein substrates ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 294 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 2470 _Citation.Page_last 2485 _Citation.Year 2019 _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 Cyrus Tan . . . . 27709 1 2 Eamon Byrne . . . . 27709 1 3 Casey Ah-Cann . . . . 27709 1 4 Melissa Call . . . . 27709 1 5 Matthew Call . . . . 27709 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27709 _Assembly.ID 1 _Assembly.Name MARCH9-TM _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 7123 _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 MARCH9-TM 1 $MARCH9-TM A . yes native no no . . . 27709 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MARCH9-TM _Entity.Sf_category entity _Entity.Sf_framecode MARCH9-TM _Entity.Entry_ID 27709 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MARCH9-TM _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 ; IEKVQIAAIVLGSLFLVASI SWLIWSSLSPSAKWQRQDLL FQISYGVYGFVDVVSIGLIV HEGSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; This 65-residue peptide encompasses the two TM domains of mouse MARCH9 with intervening extracellular loop sequence. ; _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 65 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'MARCH9 TM-loop-TM' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7123 _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 1 180 ILE . 27709 1 2 181 GLU . 27709 1 3 182 LYS . 27709 1 4 183 VAL . 27709 1 5 184 GLN . 27709 1 6 185 ILE . 27709 1 7 186 ALA . 27709 1 8 187 ALA . 27709 1 9 188 ILE . 27709 1 10 189 VAL . 27709 1 11 190 LEU . 27709 1 12 191 GLY . 27709 1 13 192 SER . 27709 1 14 193 LEU . 27709 1 15 194 PHE . 27709 1 16 195 LEU . 27709 1 17 196 VAL . 27709 1 18 197 ALA . 27709 1 19 198 SER . 27709 1 20 199 ILE . 27709 1 21 200 SER . 27709 1 22 201 TRP . 27709 1 23 202 LEU . 27709 1 24 203 ILE . 27709 1 25 204 TRP . 27709 1 26 205 SER . 27709 1 27 206 SER . 27709 1 28 207 LEU . 27709 1 29 208 SER . 27709 1 30 209 PRO . 27709 1 31 210 SER . 27709 1 32 211 ALA . 27709 1 33 212 LYS . 27709 1 34 213 TRP . 27709 1 35 214 GLN . 27709 1 36 215 ARG . 27709 1 37 216 GLN . 27709 1 38 217 ASP . 27709 1 39 218 LEU . 27709 1 40 219 LEU . 27709 1 41 220 PHE . 27709 1 42 221 GLN . 27709 1 43 222 ILE . 27709 1 44 223 SER . 27709 1 45 224 TYR . 27709 1 46 225 GLY . 27709 1 47 226 VAL . 27709 1 48 227 TYR . 27709 1 49 228 GLY . 27709 1 50 229 PHE . 27709 1 51 230 VAL . 27709 1 52 231 ASP . 27709 1 53 232 VAL . 27709 1 54 233 VAL . 27709 1 55 234 SER . 27709 1 56 235 ILE . 27709 1 57 236 GLY . 27709 1 58 237 LEU . 27709 1 59 238 ILE . 27709 1 60 239 VAL . 27709 1 61 240 HIS . 27709 1 62 241 GLU . 27709 1 63 242 GLY . 27709 1 64 243 SER . 27709 1 65 244 SER . 27709 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 . ILE 1 1 27709 1 . GLU 2 2 27709 1 . LYS 3 3 27709 1 . VAL 4 4 27709 1 . GLN 5 5 27709 1 . ILE 6 6 27709 1 . ALA 7 7 27709 1 . ALA 8 8 27709 1 . ILE 9 9 27709 1 . VAL 10 10 27709 1 . LEU 11 11 27709 1 . GLY 12 12 27709 1 . SER 13 13 27709 1 . LEU 14 14 27709 1 . PHE 15 15 27709 1 . LEU 16 16 27709 1 . VAL 17 17 27709 1 . ALA 18 18 27709 1 . SER 19 19 27709 1 . ILE 20 20 27709 1 . SER 21 21 27709 1 . TRP 22 22 27709 1 . LEU 23 23 27709 1 . ILE 24 24 27709 1 . TRP 25 25 27709 1 . SER 26 26 27709 1 . SER 27 27 27709 1 . LEU 28 28 27709 1 . SER 29 29 27709 1 . PRO 30 30 27709 1 . SER 31 31 27709 1 . ALA 32 32 27709 1 . LYS 33 33 27709 1 . TRP 34 34 27709 1 . GLN 35 35 27709 1 . ARG 36 36 27709 1 . GLN 37 37 27709 1 . ASP 38 38 27709 1 . LEU 39 39 27709 1 . LEU 40 40 27709 1 . PHE 41 41 27709 1 . GLN 42 42 27709 1 . ILE 43 43 27709 1 . SER 44 44 27709 1 . TYR 45 45 27709 1 . GLY 46 46 27709 1 . VAL 47 47 27709 1 . TYR 48 48 27709 1 . GLY 49 49 27709 1 . PHE 50 50 27709 1 . VAL 51 51 27709 1 . ASP 52 52 27709 1 . VAL 53 53 27709 1 . VAL 54 54 27709 1 . SER 55 55 27709 1 . ILE 56 56 27709 1 . GLY 57 57 27709 1 . LEU 58 58 27709 1 . ILE 59 59 27709 1 . VAL 60 60 27709 1 . HIS 61 61 27709 1 . GLU 62 62 27709 1 . GLY 63 63 27709 1 . SER 64 64 27709 1 . SER 65 65 27709 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 27709 _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 $MARCH9-TM . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . March9 . 27709 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 27709 _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 $MARCH9-TM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pMM . . . 27709 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27709 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '1 mM peptide in 250 mM tetradecylphosphocholine, 50 mM sodium dodecyl sulfate, 20 mM phosphate buffer (pH 6.8) and 5% D2O.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 tetradecylphosphocholine 'natural abundance' . . . . . . 250 . . mM . . . . 27709 1 2 'sodium dodecyl sulfate' 'natural abundance' . . . . . . 50 . . mM . . . . 27709 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27709 1 4 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 27709 1 5 MARCH9-TM '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $MARCH9-TM . . 1 . . mM . . . . 27709 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 27709 _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' 0.02 . M 27709 1 pH 6.8 . pH 27709 1 pressure 1 . atm 27709 1 temperature 313 . K 27709 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27709 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27709 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27709 1 processing 27709 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 27709 _Software.ID 2 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27709 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27709 2 'peak picking' 27709 2 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 27709 _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 27709 _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 . . . 27709 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 27709 _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 . . . . . . . . . . . . . . . . 27709 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27709 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27709 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 27709 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27709 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27709 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27709 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 27709 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27709 1 2 '3D HNCACB' . . . 27709 1 3 '3D HN(CO)CA' . . . 27709 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 ILE CA C 13 57.002 0.2 . 1 . . . . . 180 ILE CA . 27709 1 2 . 1 1 1 1 ILE CB C 13 35.134 0.2 . 1 . . . . . 180 ILE CB . 27709 1 3 . 1 1 2 2 GLU H H 1 8.456 0.01 . 1 . . . . . 181 GLU H . 27709 1 4 . 1 1 2 2 GLU CA C 13 51.879 0.2 . 1 . . . . . 181 GLU CA . 27709 1 5 . 1 1 2 2 GLU CB C 13 27.307 0.2 . 1 . . . . . 181 GLU CB . 27709 1 6 . 1 1 2 2 GLU N N 15 124.492 0.1 . 1 . . . . . 181 GLU N . 27709 1 7 . 1 1 3 3 LYS H H 1 9.106 0.01 . 1 . . . . . 182 LYS H . 27709 1 8 . 1 1 3 3 LYS CA C 13 57.925 0.2 . 1 . . . . . 182 LYS CA . 27709 1 9 . 1 1 3 3 LYS CB C 13 27.307 0.2 . 1 . . . . . 182 LYS CB . 27709 1 10 . 1 1 3 3 LYS N N 15 123.082 0.1 . 1 . . . . . 182 LYS N . 27709 1 11 . 1 1 4 4 VAL H H 1 8.853 0.01 . 1 . . . . . 183 VAL H . 27709 1 12 . 1 1 4 4 VAL CA C 13 62.836 0.2 . 1 . . . . . 183 VAL CA . 27709 1 13 . 1 1 4 4 VAL CB C 13 27.355 0.2 . 1 . . . . . 183 VAL CB . 27709 1 14 . 1 1 4 4 VAL N N 15 117.141 0.1 . 1 . . . . . 183 VAL N . 27709 1 15 . 1 1 5 5 GLN H H 1 7.063 0.01 . 1 . . . . . 184 GLN H . 27709 1 16 . 1 1 5 5 GLN CA C 13 56.005 0.2 . 1 . . . . . 184 GLN CA . 27709 1 17 . 1 1 5 5 GLN CB C 13 24.461 0.2 . 1 . . . . . 184 GLN CB . 27709 1 18 . 1 1 5 5 GLN N N 15 118.293 0.1 . 1 . . . . . 184 GLN N . 27709 1 19 . 1 1 6 6 ILE H H 1 7.869 0.01 . 1 . . . . . 185 ILE H . 27709 1 20 . 1 1 6 6 ILE CA C 13 62.13 0.2 . 1 . . . . . 185 ILE CA . 27709 1 21 . 1 1 6 6 ILE CB C 13 33.835 0.2 . 1 . . . . . 185 ILE CB . 27709 1 22 . 1 1 6 6 ILE N N 15 118.459 0.1 . 1 . . . . . 185 ILE N . 27709 1 23 . 1 1 7 7 ALA H H 1 8.254 0.01 . 1 . . . . . 186 ALA H . 27709 1 24 . 1 1 7 7 ALA CA C 13 52.34 0.2 . 1 . . . . . 186 ALA CA . 27709 1 25 . 1 1 7 7 ALA CB C 13 14.386 0.2 . 1 . . . . . 186 ALA CB . 27709 1 26 . 1 1 7 7 ALA N N 15 120.765 0.1 . 1 . . . . . 186 ALA N . 27709 1 27 . 1 1 8 8 ALA H H 1 7.949 0.01 . 1 . . . . . 187 ALA H . 27709 1 28 . 1 1 8 8 ALA CA C 13 52.245 0.2 . 1 . . . . . 187 ALA CA . 27709 1 29 . 1 1 8 8 ALA CB C 13 14.774 0.2 . 1 . . . . . 187 ALA CB . 27709 1 30 . 1 1 8 8 ALA N N 15 118.733 0.1 . 1 . . . . . 187 ALA N . 27709 1 31 . 1 1 9 9 ILE H H 1 8.016 0.01 . 1 . . . . . 188 ILE H . 27709 1 32 . 1 1 9 9 ILE CA C 13 62.362 0.2 . 1 . . . . . 188 ILE CA . 27709 1 33 . 1 1 9 9 ILE CB C 13 34.565 0.2 . 1 . . . . . 188 ILE CB . 27709 1 34 . 1 1 9 9 ILE N N 15 117.758 0.1 . 1 . . . . . 188 ILE N . 27709 1 35 . 1 1 10 10 VAL H H 1 8.592 0.01 . 1 . . . . . 189 VAL H . 27709 1 36 . 1 1 10 10 VAL CA C 13 64.16 0.2 . 1 . . . . . 189 VAL CA . 27709 1 37 . 1 1 10 10 VAL CB C 13 27.724 0.2 . 1 . . . . . 189 VAL CB . 27709 1 38 . 1 1 10 10 VAL N N 15 122.229 0.1 . 1 . . . . . 189 VAL N . 27709 1 39 . 1 1 11 11 LEU H H 1 8.497 0.01 . 1 . . . . . 190 LEU H . 27709 1 40 . 1 1 11 11 LEU CA C 13 55.015 0.2 . 1 . . . . . 190 LEU CA . 27709 1 41 . 1 1 11 11 LEU CB C 13 37.763 0.2 . 1 . . . . . 190 LEU CB . 27709 1 42 . 1 1 11 11 LEU N N 15 118.911 0.1 . 1 . . . . . 190 LEU N . 27709 1 43 . 1 1 12 12 GLY H H 1 8.724 0.01 . 1 . . . . . 191 GLY H . 27709 1 44 . 1 1 12 12 GLY CA C 13 44.27 0.2 . 1 . . . . . 191 GLY CA . 27709 1 45 . 1 1 12 12 GLY N N 15 105.739 0.1 . 1 . . . . . 191 GLY N . 27709 1 46 . 1 1 13 13 SER H H 1 8.233 0.01 . 1 . . . . . 192 SER H . 27709 1 47 . 1 1 13 13 SER CA C 13 60.769 0.2 . 1 . . . . . 192 SER CA . 27709 1 48 . 1 1 13 13 SER CB C 13 59.346 0.2 . 1 . . . . . 192 SER CB . 27709 1 49 . 1 1 13 13 SER N N 15 118.254 0.1 . 1 . . . . . 192 SER N . 27709 1 50 . 1 1 14 14 LEU H H 1 8.121 0.01 . 1 . . . . . 193 LEU H . 27709 1 51 . 1 1 14 14 LEU CA C 13 54.895 0.2 . 1 . . . . . 193 LEU CA . 27709 1 52 . 1 1 14 14 LEU CB C 13 37.79 0.2 . 1 . . . . . 193 LEU CB . 27709 1 53 . 1 1 14 14 LEU N N 15 122.32 0.1 . 1 . . . . . 193 LEU N . 27709 1 54 . 1 1 15 15 PHE H H 1 8.371 0.01 . 1 . . . . . 194 PHE H . 27709 1 55 . 1 1 15 15 PHE CA C 13 57.925 0.2 . 1 . . . . . 194 PHE CA . 27709 1 56 . 1 1 15 15 PHE CB C 13 35.096 0.2 . 1 . . . . . 194 PHE CB . 27709 1 57 . 1 1 15 15 PHE N N 15 118.54 0.1 . 1 . . . . . 194 PHE N . 27709 1 58 . 1 1 16 16 LEU H H 1 8.398 0.01 . 1 . . . . . 195 LEU H . 27709 1 59 . 1 1 16 16 LEU CA C 13 55.397 0.2 . 1 . . . . . 195 LEU CA . 27709 1 60 . 1 1 16 16 LEU CB C 13 38.006 0.2 . 1 . . . . . 195 LEU CB . 27709 1 61 . 1 1 16 16 LEU N N 15 122.371 0.1 . 1 . . . . . 195 LEU N . 27709 1 62 . 1 1 17 17 VAL H H 1 8.479 0.01 . 1 . . . . . 196 VAL H . 27709 1 63 . 1 1 17 17 VAL CA C 13 63.754 0.2 . 1 . . . . . 196 VAL CA . 27709 1 64 . 1 1 17 17 VAL CB C 13 27.627 0.2 . 1 . . . . . 196 VAL CB . 27709 1 65 . 1 1 17 17 VAL N N 15 118.159 0.1 . 1 . . . . . 196 VAL N . 27709 1 66 . 1 1 18 18 ALA H H 1 8.812 0.01 . 1 . . . . . 197 ALA H . 27709 1 67 . 1 1 18 18 ALA CA C 13 52.326 0.2 . 1 . . . . . 197 ALA CA . 27709 1 68 . 1 1 18 18 ALA CB C 13 14.628 0.2 . 1 . . . . . 197 ALA CB . 27709 1 69 . 1 1 18 18 ALA N N 15 124.176 0.1 . 1 . . . . . 197 ALA N . 27709 1 70 . 1 1 19 19 SER H H 1 8.118 0.01 . 1 . . . . . 198 SER H . 27709 1 71 . 1 1 19 19 SER CA C 13 60.268 0.2 . 1 . . . . . 198 SER CA . 27709 1 72 . 1 1 19 19 SER N N 15 114.416 0.1 . 1 . . . . . 198 SER N . 27709 1 73 . 1 1 20 20 ILE H H 1 8.24 0.01 . 1 . . . . . 199 ILE H . 27709 1 74 . 1 1 20 20 ILE CA C 13 62.035 0.2 . 1 . . . . . 199 ILE CA . 27709 1 75 . 1 1 20 20 ILE CB C 13 34.029 0.2 . 1 . . . . . 199 ILE CB . 27709 1 76 . 1 1 20 20 ILE N N 15 121.908 0.1 . 1 . . . . . 199 ILE N . 27709 1 77 . 1 1 21 21 SER H H 1 8.24 0.01 . 1 . . . . . 200 SER H . 27709 1 78 . 1 1 21 21 SER CA C 13 60.841 0.2 . 1 . . . . . 200 SER CA . 27709 1 79 . 1 1 21 21 SER N N 15 116.8 0.1 . 1 . . . . . 200 SER N . 27709 1 80 . 1 1 22 22 TRP H H 1 8.49 0.01 . 1 . . . . . 201 TRP H . 27709 1 81 . 1 1 22 22 TRP CA C 13 58.472 0.2 . 1 . . . . . 201 TRP CA . 27709 1 82 . 1 1 22 22 TRP CB C 13 25.493 0.2 . 1 . . . . . 201 TRP CB . 27709 1 83 . 1 1 22 22 TRP N N 15 122.674 0.1 . 1 . . . . . 201 TRP N . 27709 1 84 . 1 1 23 23 LEU H H 1 8.373 0.01 . 1 . . . . . 202 LEU H . 27709 1 85 . 1 1 23 23 LEU CA C 13 55.115 0.2 . 1 . . . . . 202 LEU CA . 27709 1 86 . 1 1 23 23 LEU CB C 13 38.217 0.2 . 1 . . . . . 202 LEU CB . 27709 1 87 . 1 1 23 23 LEU N N 15 121.578 0.1 . 1 . . . . . 202 LEU N . 27709 1 88 . 1 1 24 24 ILE H H 1 8.445 0.01 . 1 . . . . . 203 ILE H . 27709 1 89 . 1 1 24 24 ILE CA C 13 62.321 0.2 . 1 . . . . . 203 ILE CA . 27709 1 90 . 1 1 24 24 ILE CB C 13 34.138 0.2 . 1 . . . . . 203 ILE CB . 27709 1 91 . 1 1 24 24 ILE N N 15 119.555 0.1 . 1 . . . . . 203 ILE N . 27709 1 92 . 1 1 25 25 TRP H H 1 8.727 0.01 . 1 . . . . . 204 TRP H . 27709 1 93 . 1 1 25 25 TRP CA C 13 57.761 0.2 . 1 . . . . . 204 TRP CA . 27709 1 94 . 1 1 25 25 TRP CB C 13 26.169 0.2 . 1 . . . . . 204 TRP CB . 27709 1 95 . 1 1 25 25 TRP N N 15 121.291 0.1 . 1 . . . . . 204 TRP N . 27709 1 96 . 1 1 26 26 SER H H 1 8.456 0.01 . 1 . . . . . 205 SER H . 27709 1 97 . 1 1 26 26 SER CA C 13 57.577 0.2 . 1 . . . . . 205 SER CA . 27709 1 98 . 1 1 26 26 SER CB C 13 59.99 0.2 . 1 . . . . . 205 SER CB . 27709 1 99 . 1 1 26 26 SER N N 15 112.086 0.1 . 1 . . . . . 205 SER N . 27709 1 100 . 1 1 27 27 SER H H 1 7.581 0.01 . 1 . . . . . 206 SER H . 27709 1 101 . 1 1 27 27 SER CA C 13 57.283 0.2 . 1 . . . . . 206 SER CA . 27709 1 102 . 1 1 27 27 SER CB C 13 60.796 0.2 . 1 . . . . . 206 SER CB . 27709 1 103 . 1 1 27 27 SER N N 15 116.481 0.1 . 1 . . . . . 206 SER N . 27709 1 104 . 1 1 28 28 LEU H H 1 7.483 0.01 . 1 . . . . . 207 LEU H . 27709 1 105 . 1 1 28 28 LEU CA C 13 51.982 0.2 . 1 . . . . . 207 LEU CA . 27709 1 106 . 1 1 28 28 LEU CB C 13 39.024 0.2 . 1 . . . . . 207 LEU CB . 27709 1 107 . 1 1 28 28 LEU N N 15 120.374 0.1 . 1 . . . . . 207 LEU N . 27709 1 108 . 1 1 29 29 SER H H 1 7.768 0.01 . 1 . . . . . 208 SER H . 27709 1 109 . 1 1 29 29 SER CA C 13 53.396 0.2 . 1 . . . . . 208 SER CA . 27709 1 110 . 1 1 29 29 SER CB C 13 60.417 0.2 . 1 . . . . . 208 SER CB . 27709 1 111 . 1 1 29 29 SER N N 15 115.535 0.1 . 1 . . . . . 208 SER N . 27709 1 112 . 1 1 30 30 PRO CA C 13 61.081 0.2 . 1 . . . . . 209 PRO CA . 27709 1 113 . 1 1 31 31 SER H H 1 7.929 0.01 . 1 . . . . . 210 SER H . 27709 1 114 . 1 1 31 31 SER CA C 13 55.373 0.2 . 1 . . . . . 210 SER CA . 27709 1 115 . 1 1 31 31 SER CB C 13 60.279 0.2 . 1 . . . . . 210 SER CB . 27709 1 116 . 1 1 31 31 SER N N 15 113.564 0.1 . 1 . . . . . 210 SER N . 27709 1 117 . 1 1 32 32 ALA H H 1 7.754 0.01 . 1 . . . . . 211 ALA H . 27709 1 118 . 1 1 32 32 ALA CA C 13 49.667 0.2 . 1 . . . . . 211 ALA CA . 27709 1 119 . 1 1 32 32 ALA CB C 13 15.501 0.2 . 1 . . . . . 211 ALA CB . 27709 1 120 . 1 1 32 32 ALA N N 15 125.526 0.1 . 1 . . . . . 211 ALA N . 27709 1 121 . 1 1 33 33 LYS H H 1 8.063 0.01 . 1 . . . . . 212 LYS H . 27709 1 122 . 1 1 33 33 LYS CA C 13 53.459 0.2 . 1 . . . . . 212 LYS CA . 27709 1 123 . 1 1 33 33 LYS CB C 13 29.11 0.2 . 1 . . . . . 212 LYS CB . 27709 1 124 . 1 1 33 33 LYS N N 15 119.686 0.1 . 1 . . . . . 212 LYS N . 27709 1 125 . 1 1 34 34 TRP H H 1 7.854 0.01 . 1 . . . . . 213 TRP H . 27709 1 126 . 1 1 34 34 TRP CA C 13 53.491 0.2 . 1 . . . . . 213 TRP CA . 27709 1 127 . 1 1 34 34 TRP CB C 13 26.359 0.2 . 1 . . . . . 213 TRP CB . 27709 1 128 . 1 1 34 34 TRP N N 15 120.71 0.1 . 1 . . . . . 213 TRP N . 27709 1 129 . 1 1 35 35 GLN H H 1 8.469 0.01 . 1 . . . . . 214 GLN H . 27709 1 130 . 1 1 35 35 GLN CA C 13 52.638 0.2 . 1 . . . . . 214 GLN CA . 27709 1 131 . 1 1 35 35 GLN CB C 13 26.121 0.2 . 1 . . . . . 214 GLN CB . 27709 1 132 . 1 1 35 35 GLN N N 15 120.91 0.1 . 1 . . . . . 214 GLN N . 27709 1 133 . 1 1 36 36 ARG H H 1 8.367 0.01 . 1 . . . . . 215 ARG H . 27709 1 134 . 1 1 36 36 ARG CA C 13 54.44 0.2 . 1 . . . . . 215 ARG CA . 27709 1 135 . 1 1 36 36 ARG CB C 13 25.979 0.2 . 1 . . . . . 215 ARG CB . 27709 1 136 . 1 1 36 36 ARG N N 15 121.889 0.1 . 1 . . . . . 215 ARG N . 27709 1 137 . 1 1 37 37 GLN H H 1 8.51 0.01 . 1 . . . . . 216 GLN H . 27709 1 138 . 1 1 37 37 GLN CA C 13 55.009 0.2 . 1 . . . . . 216 GLN CA . 27709 1 139 . 1 1 37 37 GLN CB C 13 24.793 0.2 . 1 . . . . . 216 GLN CB . 27709 1 140 . 1 1 37 37 GLN N N 15 119.261 0.1 . 1 . . . . . 216 GLN N . 27709 1 141 . 1 1 38 38 ASP H H 1 8.069 0.01 . 1 . . . . . 217 ASP H . 27709 1 142 . 1 1 38 38 ASP CA C 13 53.112 0.2 . 1 . . . . . 217 ASP CA . 27709 1 143 . 1 1 38 38 ASP CB C 13 37.269 0.2 . 1 . . . . . 217 ASP CB . 27709 1 144 . 1 1 38 38 ASP N N 15 119.329 0.1 . 1 . . . . . 217 ASP N . 27709 1 145 . 1 1 39 39 LEU H H 1 7.797 0.01 . 1 . . . . . 218 LEU H . 27709 1 146 . 1 1 39 39 LEU CA C 13 54.496 0.2 . 1 . . . . . 218 LEU CA . 27709 1 147 . 1 1 39 39 LEU CB C 13 38.2 0.2 . 1 . . . . . 218 LEU CB . 27709 1 148 . 1 1 39 39 LEU N N 15 121.3 0.1 . 1 . . . . . 218 LEU N . 27709 1 149 . 1 1 40 40 LEU H H 1 8.011 0.01 . 1 . . . . . 219 LEU H . 27709 1 150 . 1 1 40 40 LEU CA C 13 54.489 0.2 . 1 . . . . . 219 LEU CA . 27709 1 151 . 1 1 40 40 LEU CB C 13 37.618 0.2 . 1 . . . . . 219 LEU CB . 27709 1 152 . 1 1 40 40 LEU N N 15 118.149 0.1 . 1 . . . . . 219 LEU N . 27709 1 153 . 1 1 41 41 PHE H H 1 7.975 0.01 . 1 . . . . . 220 PHE H . 27709 1 154 . 1 1 41 41 PHE CA C 13 57.164 0.2 . 1 . . . . . 220 PHE CA . 27709 1 155 . 1 1 41 41 PHE CB C 13 35.134 0.2 . 1 . . . . . 220 PHE CB . 27709 1 156 . 1 1 41 41 PHE N N 15 119.34 0.1 . 1 . . . . . 220 PHE N . 27709 1 157 . 1 1 42 42 GLN H H 1 8.114 0.01 . 1 . . . . . 221 GLN H . 27709 1 158 . 1 1 42 42 GLN CA C 13 55.182 0.2 . 1 . . . . . 221 GLN CA . 27709 1 159 . 1 1 42 42 GLN CB C 13 24.983 0.2 . 1 . . . . . 221 GLN CB . 27709 1 160 . 1 1 42 42 GLN N N 15 118.883 0.1 . 1 . . . . . 221 GLN N . 27709 1 161 . 1 1 43 43 ILE H H 1 8.168 0.01 . 1 . . . . . 222 ILE H . 27709 1 162 . 1 1 43 43 ILE CA C 13 60.796 0.2 . 1 . . . . . 222 ILE CA . 27709 1 163 . 1 1 43 43 ILE CB C 13 34.423 0.2 . 1 . . . . . 222 ILE CB . 27709 1 164 . 1 1 43 43 ILE N N 15 118.371 0.1 . 1 . . . . . 222 ILE N . 27709 1 165 . 1 1 44 44 SER H H 1 7.987 0.01 . 1 . . . . . 223 SER H . 27709 1 166 . 1 1 44 44 SER CA C 13 58.045 0.2 . 1 . . . . . 223 SER CA . 27709 1 167 . 1 1 44 44 SER CB C 13 59.942 0.2 . 1 . . . . . 223 SER CB . 27709 1 168 . 1 1 44 44 SER N N 15 116.357 0.1 . 1 . . . . . 223 SER N . 27709 1 169 . 1 1 45 45 TYR H H 1 8.049 0.01 . 1 . . . . . 224 TYR H . 27709 1 170 . 1 1 45 45 TYR CA C 13 56.925 0.2 . 1 . . . . . 224 TYR CA . 27709 1 171 . 1 1 45 45 TYR CB C 13 34.708 0.2 . 1 . . . . . 224 TYR CB . 27709 1 172 . 1 1 45 45 TYR N N 15 120.96 0.1 . 1 . . . . . 224 TYR N . 27709 1 173 . 1 1 46 46 GLY H H 1 8.12 0.01 . 1 . . . . . 225 GLY H . 27709 1 174 . 1 1 46 46 GLY CA C 13 43.151 0.2 . 1 . . . . . 225 GLY CA . 27709 1 175 . 1 1 46 46 GLY N N 15 108.42 0.1 . 1 . . . . . 225 GLY N . 27709 1 176 . 1 1 47 47 VAL H H 1 8.099 0.01 . 1 . . . . . 226 VAL H . 27709 1 177 . 1 1 47 47 VAL CA C 13 61.887 0.2 . 1 . . . . . 226 VAL CA . 27709 1 178 . 1 1 47 47 VAL CB C 13 27.877 0.2 . 1 . . . . . 226 VAL CB . 27709 1 179 . 1 1 47 47 VAL N N 15 119.807 0.1 . 1 . . . . . 226 VAL N . 27709 1 180 . 1 1 48 48 TYR H H 1 8.045 0.01 . 1 . . . . . 227 TYR H . 27709 1 181 . 1 1 48 48 TYR CA C 13 57.021 0.2 . 1 . . . . . 227 TYR CA . 27709 1 182 . 1 1 48 48 TYR CB C 13 34.659 0.2 . 1 . . . . . 227 TYR CB . 27709 1 183 . 1 1 48 48 TYR N N 15 119.516 0.1 . 1 . . . . . 227 TYR N . 27709 1 184 . 1 1 49 49 GLY H H 1 8.035 0.01 . 1 . . . . . 228 GLY H . 27709 1 185 . 1 1 49 49 GLY CA C 13 42.909 0.2 . 1 . . . . . 228 GLY CA . 27709 1 186 . 1 1 49 49 GLY N N 15 106.412 0.1 . 1 . . . . . 228 GLY N . 27709 1 187 . 1 1 50 50 PHE H H 1 8.003 0.01 . 1 . . . . . 229 PHE H . 27709 1 188 . 1 1 50 50 PHE CA C 13 56.758 0.2 . 1 . . . . . 229 PHE CA . 27709 1 189 . 1 1 50 50 PHE CB C 13 36.415 0.2 . 1 . . . . . 229 PHE CB . 27709 1 190 . 1 1 50 50 PHE N N 15 120.283 0.1 . 1 . . . . . 229 PHE N . 27709 1 191 . 1 1 51 51 VAL H H 1 7.856 0.01 . 1 . . . . . 230 VAL H . 27709 1 192 . 1 1 51 51 VAL CA C 13 61.08 0.2 . 1 . . . . . 230 VAL CA . 27709 1 193 . 1 1 51 51 VAL CB C 13 28.403 0.2 . 1 . . . . . 230 VAL CB . 27709 1 194 . 1 1 51 51 VAL N N 15 117.379 0.1 . 1 . . . . . 230 VAL N . 27709 1 195 . 1 1 52 52 ASP H H 1 7.941 0.01 . 1 . . . . . 231 ASP H . 27709 1 196 . 1 1 52 52 ASP CA C 13 52.258 0.2 . 1 . . . . . 231 ASP CA . 27709 1 197 . 1 1 52 52 ASP CB C 13 37.838 0.2 . 1 . . . . . 231 ASP CB . 27709 1 198 . 1 1 52 52 ASP N N 15 120.974 0.1 . 1 . . . . . 231 ASP N . 27709 1 199 . 1 1 53 53 VAL H H 1 7.782 0.01 . 1 . . . . . 232 VAL H . 27709 1 200 . 1 1 53 53 VAL CA C 13 61.128 0.2 . 1 . . . . . 232 VAL CA . 27709 1 201 . 1 1 53 53 VAL CB C 13 28.354 0.2 . 1 . . . . . 232 VAL CB . 27709 1 202 . 1 1 53 53 VAL N N 15 118.117 0.1 . 1 . . . . . 232 VAL N . 27709 1 203 . 1 1 54 54 VAL H H 1 7.744 0.01 . 1 . . . . . 233 VAL H . 27709 1 204 . 1 1 54 54 VAL CB C 13 28.114 0.2 . 1 . . . . . 233 VAL CB . 27709 1 205 . 1 1 54 54 VAL N N 15 119.066 0.1 . 1 . . . . . 233 VAL N . 27709 1 206 . 1 1 55 55 SER H H 1 7.84 0.01 . 1 . . . . . 234 SER H . 27709 1 207 . 1 1 55 55 SER CA C 13 56.901 0.2 . 1 . . . . . 234 SER CA . 27709 1 208 . 1 1 55 55 SER CB C 13 60.464 0.2 . 1 . . . . . 234 SER CB . 27709 1 209 . 1 1 55 55 SER N N 15 116.069 0.1 . 1 . . . . . 234 SER N . 27709 1 210 . 1 1 56 56 ILE H H 1 7.871 0.01 . 1 . . . . . 235 ILE H . 27709 1 211 . 1 1 56 56 ILE CA C 13 59.516 0.2 . 1 . . . . . 235 ILE CA . 27709 1 212 . 1 1 56 56 ILE CB C 13 34.423 0.2 . 1 . . . . . 235 ILE CB . 27709 1 213 . 1 1 56 56 ILE N N 15 120.886 0.1 . 1 . . . . . 235 ILE N . 27709 1 214 . 1 1 57 57 GLY H H 1 8.15 0.01 . 1 . . . . . 236 GLY H . 27709 1 215 . 1 1 57 57 GLY CA C 13 42.98 0.2 . 1 . . . . . 236 GLY CA . 27709 1 216 . 1 1 57 57 GLY N N 15 108.97 0.1 . 1 . . . . . 236 GLY N . 27709 1 217 . 1 1 58 58 LEU H H 1 7.756 0.01 . 1 . . . . . 237 LEU H . 27709 1 218 . 1 1 58 58 LEU CA C 13 53.159 0.2 . 1 . . . . . 237 LEU CA . 27709 1 219 . 1 1 58 58 LEU CB C 13 38.782 0.2 . 1 . . . . . 237 LEU CB . 27709 1 220 . 1 1 58 58 LEU N N 15 120.209 0.1 . 1 . . . . . 237 LEU N . 27709 1 221 . 1 1 59 59 ILE H H 1 7.681 0.01 . 1 . . . . . 238 ILE H . 27709 1 222 . 1 1 59 59 ILE CA C 13 58.477 0.2 . 1 . . . . . 238 ILE CA . 27709 1 223 . 1 1 59 59 ILE CB C 13 34.902 0.2 . 1 . . . . . 238 ILE CB . 27709 1 224 . 1 1 59 59 ILE N N 15 118.195 0.1 . 1 . . . . . 238 ILE N . 27709 1 225 . 1 1 60 60 VAL H H 1 7.928 0.01 . 1 . . . . . 239 VAL H . 27709 1 226 . 1 1 60 60 VAL CA C 13 59.408 0.2 . 1 . . . . . 239 VAL CA . 27709 1 227 . 1 1 60 60 VAL CB C 13 28.742 0.2 . 1 . . . . . 239 VAL CB . 27709 1 228 . 1 1 60 60 VAL N N 15 121.15 0.1 . 1 . . . . . 239 VAL N . 27709 1 229 . 1 1 61 61 HIS H H 1 8.298 0.01 . 1 . . . . . 240 HIS H . 27709 1 230 . 1 1 61 61 HIS CA C 13 52.555 0.2 . 1 . . . . . 240 HIS CA . 27709 1 231 . 1 1 61 61 HIS CB C 13 26.463 0.2 . 1 . . . . . 240 HIS CB . 27709 1 232 . 1 1 61 61 HIS N N 15 122.011 0.1 . 1 . . . . . 240 HIS N . 27709 1 233 . 1 1 62 62 GLU H H 1 8.4 0.01 . 1 . . . . . 241 GLU H . 27709 1 234 . 1 1 62 62 GLU CA C 13 53.654 0.2 . 1 . . . . . 241 GLU CA . 27709 1 235 . 1 1 62 62 GLU CB C 13 26.463 0.2 . 1 . . . . . 241 GLU CB . 27709 1 236 . 1 1 62 62 GLU N N 15 123.061 0.1 . 1 . . . . . 241 GLU N . 27709 1 237 . 1 1 63 63 GLY H H 1 8.373 0.01 . 1 . . . . . 242 GLY H . 27709 1 238 . 1 1 63 63 GLY CA C 13 42.049 0.2 . 1 . . . . . 242 GLY CA . 27709 1 239 . 1 1 63 63 GLY N N 15 110.684 0.1 . 1 . . . . . 242 GLY N . 27709 1 240 . 1 1 64 64 SER H H 1 8.133 0.01 . 1 . . . . . 243 SER H . 27709 1 241 . 1 1 64 64 SER CA C 13 55.158 0.2 . 1 . . . . . 243 SER CA . 27709 1 242 . 1 1 64 64 SER CB C 13 61.081 0.2 . 1 . . . . . 243 SER CB . 27709 1 243 . 1 1 64 64 SER N N 15 116.399 0.1 . 1 . . . . . 243 SER N . 27709 1 244 . 1 1 65 65 SER H H 1 7.942 0.01 . 1 . . . . . 244 SER H . 27709 1 245 . 1 1 65 65 SER CA C 13 56.925 0.2 . 1 . . . . . 244 SER CA . 27709 1 246 . 1 1 65 65 SER CB C 13 61.603 0.2 . 1 . . . . . 244 SER CB . 27709 1 247 . 1 1 65 65 SER N N 15 123.669 0.1 . 1 . . . . . 244 SER N . 27709 1 stop_ save_