data_27166 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27166 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for LisH Domain of GID8 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-07-03 _Entry.Accession_date 2017-07-03 _Entry.Last_release_date 2017-07-05 _Entry.Original_release_date 2017-07-05 _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 Talita Araujo . S. . . 27166 2 Marcius Almeida . S. . . 27166 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Universidade Federal do Rio de Janeiro' . 27166 2 . 'Centro de Ciencias da Saude' . 27166 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27166 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 210 27166 '15N chemical shifts' 54 27166 '1H chemical shifts' 229 27166 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 . . 2018-04-06 2017-07-03 update BMRB 'update entry citation' 27166 1 . . 2017-08-04 2017-07-03 original author 'original release' 27166 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27166 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29067546 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N chemical shift assignment of lissencephaly-1 homology (LisH) domain homodimer of human two-hybrid-associated protein 1 with RanBPM (Twa1) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 1 _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 99 _Citation.Page_last 102 _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 Talita Araujo . S. . . 27166 1 2 Marcius Almeida . S. . . 27166 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27166 _Assembly.ID 1 _Assembly.Name 'LisH dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'LisH, chain 1' 1 $LisH-GID8 A . yes native no no . . . 27166 1 2 'LisH, chain 2' 1 $LisH-GID8 B . yes native no no . . . 27166 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LisH-GID8 _Entity.Sf_category entity _Entity.Sf_framecode LisH-GID8 _Entity.Entry_ID 27166 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LisH-GID8 _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 ; SYAEKPDEITKDEWMEKLNN LHVQRADMNRLIMNYLVTEG FKEAAEKFRMESGIEPSVD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This is the dimerization domain of the human protein GID8 (Glucose-induced degradation protein 8).' _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 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'LisH domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6948.83 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 SER . 27166 1 2 2 TYR . 27166 1 3 3 ALA . 27166 1 4 4 GLU . 27166 1 5 5 LYS . 27166 1 6 6 PRO . 27166 1 7 7 ASP . 27166 1 8 8 GLU . 27166 1 9 9 ILE . 27166 1 10 10 THR . 27166 1 11 11 LYS . 27166 1 12 12 ASP . 27166 1 13 13 GLU . 27166 1 14 14 TRP . 27166 1 15 15 MET . 27166 1 16 16 GLU . 27166 1 17 17 LYS . 27166 1 18 18 LEU . 27166 1 19 19 ASN . 27166 1 20 20 ASN . 27166 1 21 21 LEU . 27166 1 22 22 HIS . 27166 1 23 23 VAL . 27166 1 24 24 GLN . 27166 1 25 25 ARG . 27166 1 26 26 ALA . 27166 1 27 27 ASP . 27166 1 28 28 MET . 27166 1 29 29 ASN . 27166 1 30 30 ARG . 27166 1 31 31 LEU . 27166 1 32 32 ILE . 27166 1 33 33 MET . 27166 1 34 34 ASN . 27166 1 35 35 TYR . 27166 1 36 36 LEU . 27166 1 37 37 VAL . 27166 1 38 38 THR . 27166 1 39 39 GLU . 27166 1 40 40 GLY . 27166 1 41 41 PHE . 27166 1 42 42 LYS . 27166 1 43 43 GLU . 27166 1 44 44 ALA . 27166 1 45 45 ALA . 27166 1 46 46 GLU . 27166 1 47 47 LYS . 27166 1 48 48 PHE . 27166 1 49 49 ARG . 27166 1 50 50 MET . 27166 1 51 51 GLU . 27166 1 52 52 SER . 27166 1 53 53 GLY . 27166 1 54 54 ILE . 27166 1 55 55 GLU . 27166 1 56 56 PRO . 27166 1 57 57 SER . 27166 1 58 58 VAL . 27166 1 59 59 ASP . 27166 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 . SER 1 1 27166 1 . TYR 2 2 27166 1 . ALA 3 3 27166 1 . GLU 4 4 27166 1 . LYS 5 5 27166 1 . PRO 6 6 27166 1 . ASP 7 7 27166 1 . GLU 8 8 27166 1 . ILE 9 9 27166 1 . THR 10 10 27166 1 . LYS 11 11 27166 1 . ASP 12 12 27166 1 . GLU 13 13 27166 1 . TRP 14 14 27166 1 . MET 15 15 27166 1 . GLU 16 16 27166 1 . LYS 17 17 27166 1 . LEU 18 18 27166 1 . ASN 19 19 27166 1 . ASN 20 20 27166 1 . LEU 21 21 27166 1 . HIS 22 22 27166 1 . VAL 23 23 27166 1 . GLN 24 24 27166 1 . ARG 25 25 27166 1 . ALA 26 26 27166 1 . ASP 27 27 27166 1 . MET 28 28 27166 1 . ASN 29 29 27166 1 . ARG 30 30 27166 1 . LEU 31 31 27166 1 . ILE 32 32 27166 1 . MET 33 33 27166 1 . ASN 34 34 27166 1 . TYR 35 35 27166 1 . LEU 36 36 27166 1 . VAL 37 37 27166 1 . THR 38 38 27166 1 . GLU 39 39 27166 1 . GLY 40 40 27166 1 . PHE 41 41 27166 1 . LYS 42 42 27166 1 . GLU 43 43 27166 1 . ALA 44 44 27166 1 . ALA 45 45 27166 1 . GLU 46 46 27166 1 . LYS 47 47 27166 1 . PHE 48 48 27166 1 . ARG 49 49 27166 1 . MET 50 50 27166 1 . GLU 51 51 27166 1 . SER 52 52 27166 1 . GLY 53 53 27166 1 . ILE 54 54 27166 1 . GLU 55 55 27166 1 . PRO 56 56 27166 1 . SER 57 57 27166 1 . VAL 58 58 27166 1 . ASP 59 59 27166 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 27166 _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 $LisH-GID8 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27166 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 27166 _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 $LisH-GID8 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . pET25b . . . 27166 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27166 _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 LisH-GID8 '[U-100% 13C; U-100% 15N]' . . 1 $LisH-GID8 . . 0.7 . . mM . . . . 27166 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 27166 1 3 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 27166 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 27166 _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' 0.25 . M 27166 1 pH 7 . pH 27166 1 pressure 1 . atm 27166 1 temperature 298 . K 27166 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 27166 _Software.ID 1 _Software.Type . _Software.Name XEASY _Software.Version 1.9.1.5 _Software.DOI . _Software.Details ; CARA (Computer Aided Resonance Assignment) Release: 1.9.1.5 Date: 2016-01-11 ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Peter G ntert et al' . . 27166 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27166 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 27166 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27166 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model ASCEND _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27166 _NMR_spectrometer.ID 3 _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 27166 _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 . 800 . . . 27166 1 2 spectrometer_2 Bruker ASCEND . 700 . . . 27166 1 3 spectrometer_3 Bruker Avance . 600 . . . 27166 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 27166 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27166 1 2 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27166 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27166 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27166 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 27166 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27166 1 7 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 27166 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 27166 _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 . . . . . 27166 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27166 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27166 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 27166 _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' . . . 27166 1 2 '3D 1H-13C NOESY aromatic' . . . 27166 1 3 '3D CBCA(CO)NH' . . . 27166 1 4 '3D HNCA' . . . 27166 1 5 '3D HNCACB' . . . 27166 1 6 '3D HCCH-TOCSY' . . . 27166 1 7 '3D HCCH-COSY' . . . 27166 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 SER HA H 1 3.772 0.020 . 1 . . . . . 1 SER HA . 27166 1 2 . 1 1 1 1 SER CA C 13 57.609 0.3 . 1 . . . . . 1 SER CA . 27166 1 3 . 1 1 1 1 SER CB C 13 64.475 0.3 . 1 . . . . . 1 SER CB . 27166 1 4 . 1 1 2 2 TYR HA H 1 4.503 0.020 . 1 . . . . . 2 TYR HA . 27166 1 5 . 1 1 2 2 TYR HB2 H 1 2.912 0.020 . 2 . . . . . 2 TYR HB2 . 27166 1 6 . 1 1 2 2 TYR HB3 H 1 2.989 0.020 . 2 . . . . . 2 TYR HB3 . 27166 1 7 . 1 1 2 2 TYR CA C 13 57.848 0.3 . 1 . . . . . 2 TYR CA . 27166 1 8 . 1 1 2 2 TYR CB C 13 38.572 0.3 . 1 . . . . . 2 TYR CB . 27166 1 9 . 1 1 2 2 TYR CD1 C 13 133.022 0.3 . 1 . . . . . 2 TYR CD1 . 27166 1 10 . 1 1 2 2 TYR CD2 C 13 133.022 0.3 . 1 . . . . . 2 TYR CD2 . 27166 1 11 . 1 1 2 2 TYR CE1 C 13 118.068 0.3 . 1 . . . . . 2 TYR CE1 . 27166 1 12 . 1 1 2 2 TYR CE2 C 13 118.068 0.3 . 1 . . . . . 2 TYR CE2 . 27166 1 13 . 1 1 3 3 ALA H H 1 8.124 0.020 . 1 . . . . . 3 ALA H . 27166 1 14 . 1 1 3 3 ALA HA H 1 4.197 0.020 . 1 . . . . . 3 ALA HA . 27166 1 15 . 1 1 3 3 ALA CA C 13 52.045 0.3 . 1 . . . . . 3 ALA CA . 27166 1 16 . 1 1 3 3 ALA CB C 13 19.170 0.3 . 1 . . . . . 3 ALA CB . 27166 1 17 . 1 1 4 4 GLU H H 1 8.114 0.020 . 1 . . . . . 4 GLU H . 27166 1 18 . 1 1 4 4 GLU HA H 1 4.149 0.020 . 1 . . . . . 4 GLU HA . 27166 1 19 . 1 1 4 4 GLU HB2 H 1 1.845 0.020 . 2 . . . . . 4 GLU HB2 . 27166 1 20 . 1 1 4 4 GLU HB3 H 1 1.944 0.020 . 2 . . . . . 4 GLU HB3 . 27166 1 21 . 1 1 4 4 GLU CA C 13 56.266 0.3 . 1 . . . . . 4 GLU CA . 27166 1 22 . 1 1 4 4 GLU CB C 13 30.090 0.3 . 1 . . . . . 4 GLU CB . 27166 1 23 . 1 1 4 4 GLU CG C 13 36.149 0.3 . 1 . . . . . 4 GLU CG . 27166 1 24 . 1 1 4 4 GLU N N 15 119.815 0.3 . 1 . . . . . 4 GLU N . 27166 1 25 . 1 1 5 5 LYS H H 1 8.234 0.020 . 1 . . . . . 5 LYS H . 27166 1 26 . 1 1 5 5 LYS HA H 1 4.508 0.020 . 1 . . . . . 5 LYS HA . 27166 1 27 . 1 1 5 5 LYS HB2 H 1 1.623 0.020 . 2 . . . . . 5 LYS HB2 . 27166 1 28 . 1 1 5 5 LYS HB3 H 1 1.737 0.020 . 2 . . . . . 5 LYS HB3 . 27166 1 29 . 1 1 5 5 LYS CA C 13 53.813 0.3 . 1 . . . . . 5 LYS CA . 27166 1 30 . 1 1 5 5 LYS CB C 13 32.439 0.3 . 1 . . . . . 5 LYS CB . 27166 1 31 . 1 1 5 5 LYS CG C 13 24.167 0.3 . 1 . . . . . 5 LYS CG . 27166 1 32 . 1 1 5 5 LYS CD C 13 28.998 0.3 . 1 . . . . . 5 LYS CD . 27166 1 33 . 1 1 5 5 LYS CE C 13 41.918 0.3 . 1 . . . . . 5 LYS CE . 27166 1 34 . 1 1 5 5 LYS N N 15 122.805 0.3 . 1 . . . . . 5 LYS N . 27166 1 35 . 1 1 6 6 PRO HA H 1 4.343 0.020 . 1 . . . . . 6 PRO HA . 27166 1 36 . 1 1 6 6 PRO HB2 H 1 1.850 0.020 . 2 . . . . . 6 PRO HB2 . 27166 1 37 . 1 1 6 6 PRO HB3 H 1 2.211 0.020 . 2 . . . . . 6 PRO HB3 . 27166 1 38 . 1 1 6 6 PRO HG2 H 1 1.914 0.020 . 2 . . . . . 6 PRO HG2 . 27166 1 39 . 1 1 6 6 PRO HG3 H 1 1.986 0.020 . 2 . . . . . 6 PRO HG3 . 27166 1 40 . 1 1 6 6 PRO CA C 13 63.056 0.3 . 1 . . . . . 6 PRO CA . 27166 1 41 . 1 1 6 6 PRO CB C 13 31.799 0.3 . 1 . . . . . 6 PRO CB . 27166 1 42 . 1 1 6 6 PRO CG C 13 27.077 0.3 . 1 . . . . . 6 PRO CG . 27166 1 43 . 1 1 6 6 PRO CD C 13 50.419 0.3 . 1 . . . . . 6 PRO CD . 27166 1 44 . 1 1 7 7 ASP H H 1 8.371 0.020 . 1 . . . . . 7 ASP H . 27166 1 45 . 1 1 7 7 ASP HA H 1 4.459 0.020 . 1 . . . . . 7 ASP HA . 27166 1 46 . 1 1 7 7 ASP HB2 H 1 2.543 0.020 . 2 . . . . . 7 ASP HB2 . 27166 1 47 . 1 1 7 7 ASP HB3 H 1 2.609 0.020 . 2 . . . . . 7 ASP HB3 . 27166 1 48 . 1 1 7 7 ASP CA C 13 54.418 0.3 . 1 . . . . . 7 ASP CA . 27166 1 49 . 1 1 7 7 ASP CB C 13 40.701 0.3 . 1 . . . . . 7 ASP CB . 27166 1 50 . 1 1 7 7 ASP N N 15 119.550 0.3 . 1 . . . . . 7 ASP N . 27166 1 51 . 1 1 8 8 GLU H H 1 8.126 0.020 . 1 . . . . . 8 GLU H . 27166 1 52 . 1 1 8 8 GLU HA H 1 4.242 0.020 . 1 . . . . . 8 GLU HA . 27166 1 53 . 1 1 8 8 GLU HB2 H 1 1.848 0.020 . 2 . . . . . 8 GLU HB2 . 27166 1 54 . 1 1 8 8 GLU HB3 H 1 1.975 0.020 . 2 . . . . . 8 GLU HB3 . 27166 1 55 . 1 1 8 8 GLU CA C 13 56.358 0.3 . 1 . . . . . 8 GLU CA . 27166 1 56 . 1 1 8 8 GLU CB C 13 30.292 0.3 . 1 . . . . . 8 GLU CB . 27166 1 57 . 1 1 8 8 GLU CG C 13 36.132 0.3 . 1 . . . . . 8 GLU CG . 27166 1 58 . 1 1 8 8 GLU N N 15 120.452 0.3 . 1 . . . . . 8 GLU N . 27166 1 59 . 1 1 9 9 ILE H H 1 8.045 0.020 . 1 . . . . . 9 ILE H . 27166 1 60 . 1 1 9 9 ILE HA H 1 4.148 0.020 . 1 . . . . . 9 ILE HA . 27166 1 61 . 1 1 9 9 ILE HB H 1 1.763 0.020 . 1 . . . . . 9 ILE HB . 27166 1 62 . 1 1 9 9 ILE HG12 H 1 1.039 0.020 . 2 . . . . . 9 ILE HG12 . 27166 1 63 . 1 1 9 9 ILE HG13 H 1 1.399 0.020 . 2 . . . . . 9 ILE HG13 . 27166 1 64 . 1 1 9 9 ILE CA C 13 61.133 0.3 . 1 . . . . . 9 ILE CA . 27166 1 65 . 1 1 9 9 ILE CB C 13 38.390 0.3 . 1 . . . . . 9 ILE CB . 27166 1 66 . 1 1 9 9 ILE CG1 C 13 27.209 0.3 . 1 . . . . . 9 ILE CG1 . 27166 1 67 . 1 1 9 9 ILE CG2 C 13 17.004 0.3 . 1 . . . . . 9 ILE CG2 . 27166 1 68 . 1 1 9 9 ILE CD1 C 13 12.768 0.3 . 1 . . . . . 9 ILE CD1 . 27166 1 69 . 1 1 9 9 ILE N N 15 121.822 0.3 . 1 . . . . . 9 ILE N . 27166 1 70 . 1 1 10 10 THR H H 1 8.257 0.020 . 1 . . . . . 10 THR H . 27166 1 71 . 1 1 10 10 THR HA H 1 4.307 0.020 . 1 . . . . . 10 THR HA . 27166 1 72 . 1 1 10 10 THR HB H 1 4.348 0.020 . 1 . . . . . 10 THR HB . 27166 1 73 . 1 1 10 10 THR CA C 13 61.698 0.3 . 1 . . . . . 10 THR CA . 27166 1 74 . 1 1 10 10 THR CB C 13 70.125 0.3 . 1 . . . . . 10 THR CB . 27166 1 75 . 1 1 10 10 THR CG2 C 13 21.634 0.3 . 1 . . . . . 10 THR CG2 . 27166 1 76 . 1 1 10 10 THR N N 15 117.789 0.3 . 1 . . . . . 10 THR N . 27166 1 77 . 1 1 11 11 LYS H H 1 8.491 0.020 . 1 . . . . . 11 LYS H . 27166 1 78 . 1 1 11 11 LYS HA H 1 4.060 0.020 . 1 . . . . . 11 LYS HA . 27166 1 79 . 1 1 11 11 LYS CA C 13 58.186 0.3 . 1 . . . . . 11 LYS CA . 27166 1 80 . 1 1 11 11 LYS CB C 13 31.970 0.3 . 1 . . . . . 11 LYS CB . 27166 1 81 . 1 1 11 11 LYS CG C 13 24.427 0.3 . 1 . . . . . 11 LYS CG . 27166 1 82 . 1 1 11 11 LYS CD C 13 29.046 0.3 . 1 . . . . . 11 LYS CD . 27166 1 83 . 1 1 11 11 LYS CE C 13 41.862 0.3 . 1 . . . . . 11 LYS CE . 27166 1 84 . 1 1 11 11 LYS N N 15 122.504 0.3 . 1 . . . . . 11 LYS N . 27166 1 85 . 1 1 12 12 ASP H H 1 8.230 0.020 . 1 . . . . . 12 ASP H . 27166 1 86 . 1 1 12 12 ASP HA H 1 4.418 0.020 . 1 . . . . . 12 ASP HA . 27166 1 87 . 1 1 12 12 ASP HB2 H 1 2.505 0.020 . 2 . . . . . 12 ASP HB2 . 27166 1 88 . 1 1 12 12 ASP HB3 H 1 2.596 0.020 . 2 . . . . . 12 ASP HB3 . 27166 1 89 . 1 1 12 12 ASP CA C 13 55.734 0.3 . 1 . . . . . 12 ASP CA . 27166 1 90 . 1 1 12 12 ASP CB C 13 40.676 0.3 . 1 . . . . . 12 ASP CB . 27166 1 91 . 1 1 12 12 ASP N N 15 119.332 0.3 . 1 . . . . . 12 ASP N . 27166 1 92 . 1 1 13 13 GLU H H 1 8.113 0.020 . 1 . . . . . 13 GLU H . 27166 1 93 . 1 1 13 13 GLU HA H 1 4.009 0.020 . 1 . . . . . 13 GLU HA . 27166 1 94 . 1 1 13 13 GLU HB2 H 1 1.877 0.020 . 2 . . . . . 13 GLU HB2 . 27166 1 95 . 1 1 13 13 GLU HB3 H 1 2.022 0.020 . 2 . . . . . 13 GLU HB3 . 27166 1 96 . 1 1 13 13 GLU CA C 13 58.577 0.3 . 1 . . . . . 13 GLU CA . 27166 1 97 . 1 1 13 13 GLU CB C 13 29.197 0.3 . 1 . . . . . 13 GLU CB . 27166 1 98 . 1 1 13 13 GLU CG C 13 36.201 0.3 . 1 . . . . . 13 GLU CG . 27166 1 99 . 1 1 13 13 GLU N N 15 121.692 0.3 . 1 . . . . . 13 GLU N . 27166 1 100 . 1 1 14 14 TRP H H 1 8.199 0.020 . 1 . . . . . 14 TRP H . 27166 1 101 . 1 1 14 14 TRP HA H 1 4.288 0.020 . 1 . . . . . 14 TRP HA . 27166 1 102 . 1 1 14 14 TRP HB2 H 1 3.177 0.020 . 2 . . . . . 14 TRP HB2 . 27166 1 103 . 1 1 14 14 TRP HB3 H 1 3.282 0.020 . 2 . . . . . 14 TRP HB3 . 27166 1 104 . 1 1 14 14 TRP HD1 H 1 7.162 0.020 . 1 . . . . . 14 TRP HD1 . 27166 1 105 . 1 1 14 14 TRP HE1 H 1 10.149 0.020 . 1 . . . . . 14 TRP HE1 . 27166 1 106 . 1 1 14 14 TRP HE3 H 1 7.348 0.020 . 1 . . . . . 14 TRP HE3 . 27166 1 107 . 1 1 14 14 TRP HZ2 H 1 7.331 0.020 . 1 . . . . . 14 TRP HZ2 . 27166 1 108 . 1 1 14 14 TRP HZ3 H 1 6.851 0.020 . 1 . . . . . 14 TRP HZ3 . 27166 1 109 . 1 1 14 14 TRP HH2 H 1 6.982 0.020 . 1 . . . . . 14 TRP HH2 . 27166 1 110 . 1 1 14 14 TRP CA C 13 59.999 0.3 . 1 . . . . . 14 TRP CA . 27166 1 111 . 1 1 14 14 TRP CB C 13 29.017 0.3 . 1 . . . . . 14 TRP CB . 27166 1 112 . 1 1 14 14 TRP CD1 C 13 127.385 0.3 . 1 . . . . . 14 TRP CD1 . 27166 1 113 . 1 1 14 14 TRP CE3 C 13 120.075 0.3 . 1 . . . . . 14 TRP CE3 . 27166 1 114 . 1 1 14 14 TRP CZ2 C 13 114.437 0.3 . 1 . . . . . 14 TRP CZ2 . 27166 1 115 . 1 1 14 14 TRP CZ3 C 13 121.317 0.3 . 1 . . . . . 14 TRP CZ3 . 27166 1 116 . 1 1 14 14 TRP CH2 C 13 123.945 0.3 . 1 . . . . . 14 TRP CH2 . 27166 1 117 . 1 1 14 14 TRP N N 15 120.288 0.3 . 1 . . . . . 14 TRP N . 27166 1 118 . 1 1 14 14 TRP NE1 N 15 129.233 0.3 . 1 . . . . . 14 TRP NE1 . 27166 1 119 . 1 1 15 15 MET H H 1 8.002 0.020 . 1 . . . . . 15 MET H . 27166 1 120 . 1 1 15 15 MET HA H 1 4.054 0.020 . 1 . . . . . 15 MET HA . 27166 1 121 . 1 1 15 15 MET HG2 H 1 2.331 0.020 . 2 . . . . . 15 MET HG2 . 27166 1 122 . 1 1 15 15 MET HG3 H 1 2.431 0.020 . 2 . . . . . 15 MET HG3 . 27166 1 123 . 1 1 15 15 MET CA C 13 57.617 0.3 . 1 . . . . . 15 MET CA . 27166 1 124 . 1 1 15 15 MET CB C 13 31.258 0.3 . 1 . . . . . 15 MET CB . 27166 1 125 . 1 1 15 15 MET CG C 13 32.041 0.3 . 1 . . . . . 15 MET CG . 27166 1 126 . 1 1 15 15 MET CE C 13 16.881 0.3 . 1 . . . . . 15 MET CE . 27166 1 127 . 1 1 15 15 MET N N 15 117.918 0.3 . 1 . . . . . 15 MET N . 27166 1 128 . 1 1 16 16 GLU H H 1 7.772 0.020 . 1 . . . . . 16 GLU H . 27166 1 129 . 1 1 16 16 GLU HA H 1 4.000 0.020 . 1 . . . . . 16 GLU HA . 27166 1 130 . 1 1 16 16 GLU CA C 13 58.755 0.3 . 1 . . . . . 16 GLU CA . 27166 1 131 . 1 1 16 16 GLU CB C 13 29.232 0.3 . 1 . . . . . 16 GLU CB . 27166 1 132 . 1 1 16 16 GLU CG C 13 35.887 0.3 . 1 . . . . . 16 GLU CG . 27166 1 133 . 1 1 16 16 GLU N N 15 119.303 0.3 . 1 . . . . . 16 GLU N . 27166 1 134 . 1 1 17 17 LYS H H 1 7.696 0.020 . 1 . . . . . 17 LYS H . 27166 1 135 . 1 1 17 17 LYS HA H 1 3.983 0.020 . 1 . . . . . 17 LYS HA . 27166 1 136 . 1 1 17 17 LYS HB2 H 1 1.725 0.020 . 2 . . . . . 17 LYS HB2 . 27166 1 137 . 1 1 17 17 LYS HB3 H 1 1.870 0.020 . 2 . . . . . 17 LYS HB3 . 27166 1 138 . 1 1 17 17 LYS HG2 H 1 1.365 0.020 . 2 . . . . . 17 LYS HG2 . 27166 1 139 . 1 1 17 17 LYS HG3 H 1 1.464 0.020 . 2 . . . . . 17 LYS HG3 . 27166 1 140 . 1 1 17 17 LYS HD2 H 1 1.368 0.020 . 2 . . . . . 17 LYS HD2 . 27166 1 141 . 1 1 17 17 LYS HD3 H 1 1.480 0.020 . 2 . . . . . 17 LYS HD3 . 27166 1 142 . 1 1 17 17 LYS CA C 13 58.648 0.3 . 1 . . . . . 17 LYS CA . 27166 1 143 . 1 1 17 17 LYS CB C 13 32.095 0.3 . 1 . . . . . 17 LYS CB . 27166 1 144 . 1 1 17 17 LYS CG C 13 25.297 0.3 . 1 . . . . . 17 LYS CG . 27166 1 145 . 1 1 17 17 LYS CD C 13 28.818 0.3 . 1 . . . . . 17 LYS CD . 27166 1 146 . 1 1 17 17 LYS CE C 13 41.767 0.3 . 1 . . . . . 17 LYS CE . 27166 1 147 . 1 1 17 17 LYS N N 15 118.292 0.3 . 1 . . . . . 17 LYS N . 27166 1 148 . 1 1 18 18 LEU H H 1 7.962 0.020 . 1 . . . . . 18 LEU H . 27166 1 149 . 1 1 18 18 LEU HA H 1 3.958 0.020 . 1 . . . . . 18 LEU HA . 27166 1 150 . 1 1 18 18 LEU HB2 H 1 1.520 0.020 . 2 . . . . . 18 LEU HB2 . 27166 1 151 . 1 1 18 18 LEU HB3 H 1 1.677 0.020 . 2 . . . . . 18 LEU HB3 . 27166 1 152 . 1 1 18 18 LEU HG H 1 1.674 0.020 . 1 . . . . . 18 LEU HG . 27166 1 153 . 1 1 18 18 LEU CA C 13 56.963 0.3 . 1 . . . . . 18 LEU CA . 27166 1 154 . 1 1 18 18 LEU CB C 13 41.176 0.3 . 1 . . . . . 18 LEU CB . 27166 1 155 . 1 1 18 18 LEU CG C 13 26.771 0.3 . 1 . . . . . 18 LEU CG . 27166 1 156 . 1 1 18 18 LEU CD1 C 13 23.654 0.3 . 1 . . . . . 18 LEU CD1 . 27166 1 157 . 1 1 18 18 LEU CD2 C 13 25.076 0.3 . 1 . . . . . 18 LEU CD2 . 27166 1 158 . 1 1 18 18 LEU N N 15 118.572 0.3 . 1 . . . . . 18 LEU N . 27166 1 159 . 1 1 19 19 ASN H H 1 8.055 0.020 . 1 . . . . . 19 ASN H . 27166 1 160 . 1 1 19 19 ASN HA H 1 4.412 0.020 . 1 . . . . . 19 ASN HA . 27166 1 161 . 1 1 19 19 ASN HD21 H 1 6.741 0.020 . 1 . . . . . 19 ASN HD21 . 27166 1 162 . 1 1 19 19 ASN HD22 H 1 7.496 0.020 . 1 . . . . . 19 ASN HD22 . 27166 1 163 . 1 1 19 19 ASN CA C 13 55.088 0.3 . 1 . . . . . 19 ASN CA . 27166 1 164 . 1 1 19 19 ASN CB C 13 38.309 0.3 . 1 . . . . . 19 ASN CB . 27166 1 165 . 1 1 19 19 ASN N N 15 117.096 0.3 . 1 . . . . . 19 ASN N . 27166 1 166 . 1 1 19 19 ASN ND2 N 15 111.858 0.3 . 1 . . . . . 19 ASN ND2 . 27166 1 167 . 1 1 20 20 ASN H H 1 7.818 0.020 . 1 . . . . . 20 ASN H . 27166 1 168 . 1 1 20 20 ASN HA H 1 4.515 0.020 . 1 . . . . . 20 ASN HA . 27166 1 169 . 1 1 20 20 ASN HB2 H 1 2.696 0.020 . 2 . . . . . 20 ASN HB2 . 27166 1 170 . 1 1 20 20 ASN HB3 H 1 2.792 0.020 . 2 . . . . . 20 ASN HB3 . 27166 1 171 . 1 1 20 20 ASN HD21 H 1 6.936 0.020 . 1 . . . . . 20 ASN HD21 . 27166 1 172 . 1 1 20 20 ASN HD22 H 1 7.523 0.020 . 1 . . . . . 20 ASN HD22 . 27166 1 173 . 1 1 20 20 ASN CA C 13 53.688 0.3 . 1 . . . . . 20 ASN CA . 27166 1 174 . 1 1 20 20 ASN CB C 13 38.674 0.3 . 1 . . . . . 20 ASN CB . 27166 1 175 . 1 1 20 20 ASN N N 15 116.782 0.3 . 1 . . . . . 20 ASN N . 27166 1 176 . 1 1 20 20 ASN ND2 N 15 112.943 0.3 . 1 . . . . . 20 ASN ND2 . 27166 1 177 . 1 1 21 21 LEU H H 1 7.464 0.020 . 1 . . . . . 21 LEU H . 27166 1 178 . 1 1 21 21 LEU HA H 1 4.149 0.020 . 1 . . . . . 21 LEU HA . 27166 1 179 . 1 1 21 21 LEU HB2 H 1 1.487 0.020 . 2 . . . . . 21 LEU HB2 . 27166 1 180 . 1 1 21 21 LEU HB3 H 1 1.691 0.020 . 2 . . . . . 21 LEU HB3 . 27166 1 181 . 1 1 21 21 LEU HG H 1 1.666 0.020 . 1 . . . . . 21 LEU HG . 27166 1 182 . 1 1 21 21 LEU CA C 13 55.270 0.3 . 1 . . . . . 21 LEU CA . 27166 1 183 . 1 1 21 21 LEU CB C 13 42.421 0.3 . 1 . . . . . 21 LEU CB . 27166 1 184 . 1 1 21 21 LEU CG C 13 26.676 0.3 . 1 . . . . . 21 LEU CG . 27166 1 185 . 1 1 21 21 LEU CD1 C 13 25.182 0.3 . 1 . . . . . 21 LEU CD1 . 27166 1 186 . 1 1 21 21 LEU CD2 C 13 23.592 0.3 . 1 . . . . . 21 LEU CD2 . 27166 1 187 . 1 1 21 21 LEU N N 15 119.797 0.3 . 1 . . . . . 21 LEU N . 27166 1 188 . 1 1 22 22 HIS HA H 1 4.423 0.020 . 1 . . . . . 22 HIS HA . 27166 1 189 . 1 1 22 22 HIS HD2 H 1 6.983 0.020 . 1 . . . . . 22 HIS HD2 . 27166 1 190 . 1 1 22 22 HIS HE1 H 1 8.001 0.020 . 1 . . . . . 22 HIS HE1 . 27166 1 191 . 1 1 22 22 HIS CA C 13 56.092 0.3 . 1 . . . . . 22 HIS CA . 27166 1 192 . 1 1 22 22 HIS CB C 13 28.368 0.3 . 1 . . . . . 22 HIS CB . 27166 1 193 . 1 1 22 22 HIS CD2 C 13 120.084 0.3 . 1 . . . . . 22 HIS CD2 . 27166 1 194 . 1 1 22 22 HIS CE1 C 13 137.369 0.3 . 1 . . . . . 22 HIS CE1 . 27166 1 195 . 1 1 23 23 VAL HA H 1 4.035 0.020 . 1 . . . . . 23 VAL HA . 27166 1 196 . 1 1 23 23 VAL HB H 1 1.873 0.020 . 1 . . . . . 23 VAL HB . 27166 1 197 . 1 1 23 23 VAL CA C 13 61.654 0.3 . 1 . . . . . 23 VAL CA . 27166 1 198 . 1 1 23 23 VAL CB C 13 32.934 0.3 . 1 . . . . . 23 VAL CB . 27166 1 199 . 1 1 23 23 VAL CG1 C 13 21.314 0.3 . 1 . . . . . 23 VAL CG1 . 27166 1 200 . 1 1 23 23 VAL CG2 C 13 20.964 0.3 . 1 . . . . . 23 VAL CG2 . 27166 1 201 . 1 1 24 24 GLN HA H 1 4.390 0.020 . 1 . . . . . 24 GLN HA . 27166 1 202 . 1 1 24 24 GLN HB2 H 1 2.004 0.020 . 2 . . . . . 24 GLN HB2 . 27166 1 203 . 1 1 24 24 GLN HB3 H 1 2.276 0.020 . 2 . . . . . 24 GLN HB3 . 27166 1 204 . 1 1 24 24 GLN HE21 H 1 6.857 0.020 . 1 . . . . . 24 GLN HE21 . 27166 1 205 . 1 1 24 24 GLN HE22 H 1 7.528 0.020 . 1 . . . . . 24 GLN HE22 . 27166 1 206 . 1 1 24 24 GLN CA C 13 55.061 0.3 . 1 . . . . . 24 GLN CA . 27166 1 207 . 1 1 24 24 GLN CB C 13 29.232 0.3 . 1 . . . . . 24 GLN CB . 27166 1 208 . 1 1 24 24 GLN CG C 13 33.919 0.3 . 1 . . . . . 24 GLN CG . 27166 1 209 . 1 1 24 24 GLN NE2 N 15 112.796 0.3 . 1 . . . . . 24 GLN NE2 . 27166 1 210 . 1 1 25 25 ARG HA H 1 3.690 0.020 . 1 . . . . . 25 ARG HA . 27166 1 211 . 1 1 25 25 ARG CA C 13 57.109 0.3 . 1 . . . . . 25 ARG CA . 27166 1 212 . 1 1 25 25 ARG CB C 13 30.120 0.3 . 1 . . . . . 25 ARG CB . 27166 1 213 . 1 1 25 25 ARG CG C 13 26.407 0.3 . 1 . . . . . 25 ARG CG . 27166 1 214 . 1 1 25 25 ARG CD C 13 43.123 0.3 . 1 . . . . . 25 ARG CD . 27166 1 215 . 1 1 26 26 ALA HA H 1 4.083 0.020 . 1 . . . . . 26 ALA HA . 27166 1 216 . 1 1 26 26 ALA CA C 13 55.126 0.3 . 1 . . . . . 26 ALA CA . 27166 1 217 . 1 1 26 26 ALA CB C 13 18.276 0.3 . 1 . . . . . 26 ALA CB . 27166 1 218 . 1 1 27 27 ASP CA C 13 54.903 0.3 . 1 . . . . . 27 ASP CA . 27166 1 219 . 1 1 27 27 ASP CB C 13 39.192 0.3 . 1 . . . . . 27 ASP CB . 27166 1 220 . 1 1 28 28 MET H H 1 7.969 0.020 . 1 . . . . . 28 MET H . 27166 1 221 . 1 1 28 28 MET HA H 1 3.966 0.020 . 1 . . . . . 28 MET HA . 27166 1 222 . 1 1 28 28 MET CA C 13 58.045 0.3 . 1 . . . . . 28 MET CA . 27166 1 223 . 1 1 28 28 MET CB C 13 31.459 0.3 . 1 . . . . . 28 MET CB . 27166 1 224 . 1 1 28 28 MET CG C 13 31.963 0.3 . 1 . . . . . 28 MET CG . 27166 1 225 . 1 1 28 28 MET CE C 13 16.922 0.3 . 1 . . . . . 28 MET CE . 27166 1 226 . 1 1 28 28 MET N N 15 120.413 0.3 . 1 . . . . . 28 MET N . 27166 1 227 . 1 1 29 29 ASN H H 1 8.716 0.020 . 1 . . . . . 29 ASN H . 27166 1 228 . 1 1 29 29 ASN HA H 1 4.626 0.020 . 1 . . . . . 29 ASN HA . 27166 1 229 . 1 1 29 29 ASN HB2 H 1 2.614 0.020 . 2 . . . . . 29 ASN HB2 . 27166 1 230 . 1 1 29 29 ASN HB3 H 1 2.905 0.020 . 2 . . . . . 29 ASN HB3 . 27166 1 231 . 1 1 29 29 ASN HD21 H 1 6.822 0.020 . 1 . . . . . 29 ASN HD21 . 27166 1 232 . 1 1 29 29 ASN HD22 H 1 7.725 0.020 . 1 . . . . . 29 ASN HD22 . 27166 1 233 . 1 1 29 29 ASN CA C 13 55.840 0.3 . 1 . . . . . 29 ASN CA . 27166 1 234 . 1 1 29 29 ASN CB C 13 36.501 0.3 . 1 . . . . . 29 ASN CB . 27166 1 235 . 1 1 29 29 ASN N N 15 117.036 0.3 . 1 . . . . . 29 ASN N . 27166 1 236 . 1 1 29 29 ASN ND2 N 15 109.501 0.3 . 1 . . . . . 29 ASN ND2 . 27166 1 237 . 1 1 30 30 ARG H H 1 7.711 0.020 . 1 . . . . . 30 ARG H . 27166 1 238 . 1 1 30 30 ARG HA H 1 3.914 0.020 . 1 . . . . . 30 ARG HA . 27166 1 239 . 1 1 30 30 ARG CA C 13 59.611 0.3 . 1 . . . . . 30 ARG CA . 27166 1 240 . 1 1 30 30 ARG CB C 13 29.801 0.3 . 1 . . . . . 30 ARG CB . 27166 1 241 . 1 1 30 30 ARG CG C 13 27.644 0.3 . 1 . . . . . 30 ARG CG . 27166 1 242 . 1 1 30 30 ARG CD C 13 42.909 0.3 . 1 . . . . . 30 ARG CD . 27166 1 243 . 1 1 30 30 ARG N N 15 120.700 0.3 . 1 . . . . . 30 ARG N . 27166 1 244 . 1 1 31 31 LEU H H 1 7.697 0.020 . 1 . . . . . 31 LEU H . 27166 1 245 . 1 1 31 31 LEU HA H 1 3.978 0.020 . 1 . . . . . 31 LEU HA . 27166 1 246 . 1 1 31 31 LEU HB2 H 1 1.432 0.020 . 2 . . . . . 31 LEU HB2 . 27166 1 247 . 1 1 31 31 LEU HB3 H 1 1.805 0.020 . 2 . . . . . 31 LEU HB3 . 27166 1 248 . 1 1 31 31 LEU HG H 1 1.683 0.020 . 1 . . . . . 31 LEU HG . 27166 1 249 . 1 1 31 31 LEU CA C 13 58.093 0.3 . 1 . . . . . 31 LEU CA . 27166 1 250 . 1 1 31 31 LEU CB C 13 41.523 0.3 . 1 . . . . . 31 LEU CB . 27166 1 251 . 1 1 31 31 LEU CG C 13 26.799 0.3 . 1 . . . . . 31 LEU CG . 27166 1 252 . 1 1 31 31 LEU CD1 C 13 23.631 0.3 . 1 . . . . . 31 LEU CD1 . 27166 1 253 . 1 1 31 31 LEU CD2 C 13 25.115 0.3 . 1 . . . . . 31 LEU CD2 . 27166 1 254 . 1 1 31 31 LEU N N 15 120.626 0.3 . 1 . . . . . 31 LEU N . 27166 1 255 . 1 1 32 32 ILE H H 1 8.295 0.020 . 1 . . . . . 32 ILE H . 27166 1 256 . 1 1 32 32 ILE HA H 1 3.269 0.020 . 1 . . . . . 32 ILE HA . 27166 1 257 . 1 1 32 32 ILE HB H 1 1.652 0.020 . 1 . . . . . 32 ILE HB . 27166 1 258 . 1 1 32 32 ILE HG12 H 1 0.495 0.020 . 2 . . . . . 32 ILE HG12 . 27166 1 259 . 1 1 32 32 ILE HG13 H 1 1.469 0.020 . 2 . . . . . 32 ILE HG13 . 27166 1 260 . 1 1 32 32 ILE CA C 13 65.154 0.3 . 1 . . . . . 32 ILE CA . 27166 1 261 . 1 1 32 32 ILE CB C 13 36.889 0.3 . 1 . . . . . 32 ILE CB . 27166 1 262 . 1 1 32 32 ILE CG1 C 13 29.450 0.3 . 1 . . . . . 32 ILE CG1 . 27166 1 263 . 1 1 32 32 ILE CG2 C 13 16.140 0.3 . 1 . . . . . 32 ILE CG2 . 27166 1 264 . 1 1 32 32 ILE CD1 C 13 13.720 0.3 . 1 . . . . . 32 ILE CD1 . 27166 1 265 . 1 1 32 32 ILE N N 15 119.742 0.3 . 1 . . . . . 32 ILE N . 27166 1 266 . 1 1 33 33 MET H H 1 8.364 0.020 . 1 . . . . . 33 MET H . 27166 1 267 . 1 1 33 33 MET HA H 1 4.038 0.020 . 1 . . . . . 33 MET HA . 27166 1 268 . 1 1 33 33 MET CA C 13 58.538 0.3 . 1 . . . . . 33 MET CA . 27166 1 269 . 1 1 33 33 MET CB C 13 32.142 0.3 . 1 . . . . . 33 MET CB . 27166 1 270 . 1 1 33 33 MET CG C 13 32.147 0.3 . 1 . . . . . 33 MET CG . 27166 1 271 . 1 1 33 33 MET CE C 13 18.731 0.3 . 1 . . . . . 33 MET CE . 27166 1 272 . 1 1 33 33 MET N N 15 119.174 0.3 . 1 . . . . . 33 MET N . 27166 1 273 . 1 1 34 34 ASN H H 1 7.922 0.020 . 1 . . . . . 34 ASN H . 27166 1 274 . 1 1 34 34 ASN HA H 1 4.366 0.020 . 1 . . . . . 34 ASN HA . 27166 1 275 . 1 1 34 34 ASN HB2 H 1 2.747 0.020 . 2 . . . . . 34 ASN HB2 . 27166 1 276 . 1 1 34 34 ASN HB3 H 1 2.851 0.020 . 2 . . . . . 34 ASN HB3 . 27166 1 277 . 1 1 34 34 ASN HD21 H 1 6.920 0.020 . 1 . . . . . 34 ASN HD21 . 27166 1 278 . 1 1 34 34 ASN HD22 H 1 7.478 0.020 . 1 . . . . . 34 ASN HD22 . 27166 1 279 . 1 1 34 34 ASN CA C 13 56.160 0.3 . 1 . . . . . 34 ASN CA . 27166 1 280 . 1 1 34 34 ASN CB C 13 38.215 0.3 . 1 . . . . . 34 ASN CB . 27166 1 281 . 1 1 34 34 ASN N N 15 114.974 0.3 . 1 . . . . . 34 ASN N . 27166 1 282 . 1 1 34 34 ASN ND2 N 15 111.549 0.3 . 1 . . . . . 34 ASN ND2 . 27166 1 283 . 1 1 35 35 TYR H H 1 8.143 0.020 . 1 . . . . . 35 TYR H . 27166 1 284 . 1 1 35 35 TYR HA H 1 4.017 0.020 . 1 . . . . . 35 TYR HA . 27166 1 285 . 1 1 35 35 TYR CA C 13 61.990 0.3 . 1 . . . . . 35 TYR CA . 27166 1 286 . 1 1 35 35 TYR CB C 13 38.224 0.3 . 1 . . . . . 35 TYR CB . 27166 1 287 . 1 1 35 35 TYR CD1 C 13 132.762 0.3 . 1 . . . . . 35 TYR CD1 . 27166 1 288 . 1 1 35 35 TYR CD2 C 13 132.762 0.3 . 1 . . . . . 35 TYR CD2 . 27166 1 289 . 1 1 35 35 TYR CE1 C 13 118.020 0.3 . 1 . . . . . 35 TYR CE1 . 27166 1 290 . 1 1 35 35 TYR CE2 C 13 118.020 0.3 . 1 . . . . . 35 TYR CE2 . 27166 1 291 . 1 1 35 35 TYR N N 15 123.656 0.3 . 1 . . . . . 35 TYR N . 27166 1 292 . 1 1 36 36 LEU H H 1 8.639 0.020 . 1 . . . . . 36 LEU H . 27166 1 293 . 1 1 36 36 LEU HA H 1 3.972 0.020 . 1 . . . . . 36 LEU HA . 27166 1 294 . 1 1 36 36 LEU HG H 1 2.064 0.020 . 1 . . . . . 36 LEU HG . 27166 1 295 . 1 1 36 36 LEU CA C 13 58.065 0.3 . 1 . . . . . 36 LEU CA . 27166 1 296 . 1 1 36 36 LEU CB C 13 41.411 0.3 . 1 . . . . . 36 LEU CB . 27166 1 297 . 1 1 36 36 LEU CG C 13 25.777 0.3 . 1 . . . . . 36 LEU CG . 27166 1 298 . 1 1 36 36 LEU CD1 C 13 25.519 0.3 . 1 . . . . . 36 LEU CD1 . 27166 1 299 . 1 1 36 36 LEU CD2 C 13 23.687 0.3 . 1 . . . . . 36 LEU CD2 . 27166 1 300 . 1 1 36 36 LEU N N 15 117.131 0.3 . 1 . . . . . 36 LEU N . 27166 1 301 . 1 1 37 37 VAL H H 1 8.162 0.020 . 1 . . . . . 37 VAL H . 27166 1 302 . 1 1 37 37 VAL HA H 1 3.427 0.020 . 1 . . . . . 37 VAL HA . 27166 1 303 . 1 1 37 37 VAL HB H 1 2.052 0.020 . 1 . . . . . 37 VAL HB . 27166 1 304 . 1 1 37 37 VAL CA C 13 66.207 0.3 . 1 . . . . . 37 VAL CA . 27166 1 305 . 1 1 37 37 VAL CB C 13 32.087 0.3 . 1 . . . . . 37 VAL CB . 27166 1 306 . 1 1 37 37 VAL CG1 C 13 20.878 0.3 . 1 . . . . . 37 VAL CG1 . 27166 1 307 . 1 1 37 37 VAL CG2 C 13 22.748 0.3 . 1 . . . . . 37 VAL CG2 . 27166 1 308 . 1 1 37 37 VAL N N 15 115.537 0.3 . 1 . . . . . 37 VAL N . 27166 1 309 . 1 1 38 38 THR H H 1 8.332 0.020 . 1 . . . . . 38 THR H . 27166 1 310 . 1 1 38 38 THR HA H 1 3.796 0.020 . 1 . . . . . 38 THR HA . 27166 1 311 . 1 1 38 38 THR HB H 1 4.128 0.020 . 1 . . . . . 38 THR HB . 27166 1 312 . 1 1 38 38 THR CA C 13 66.178 0.3 . 1 . . . . . 38 THR CA . 27166 1 313 . 1 1 38 38 THR CB C 13 68.852 0.3 . 1 . . . . . 38 THR CB . 27166 1 314 . 1 1 38 38 THR CG2 C 13 21.534 0.3 . 1 . . . . . 38 THR CG2 . 27166 1 315 . 1 1 38 38 THR N N 15 116.646 0.3 . 1 . . . . . 38 THR N . 27166 1 316 . 1 1 39 39 GLU H H 1 7.900 0.020 . 1 . . . . . 39 GLU H . 27166 1 317 . 1 1 39 39 GLU HA H 1 3.785 0.020 . 1 . . . . . 39 GLU HA . 27166 1 318 . 1 1 39 39 GLU HB2 H 1 0.965 0.020 . 2 . . . . . 39 GLU HB2 . 27166 1 319 . 1 1 39 39 GLU HB3 H 1 1.331 0.020 . 2 . . . . . 39 GLU HB3 . 27166 1 320 . 1 1 39 39 GLU HG2 H 1 1.304 0.020 . 2 . . . . . 39 GLU HG2 . 27166 1 321 . 1 1 39 39 GLU HG3 H 1 1.487 0.020 . 2 . . . . . 39 GLU HG3 . 27166 1 322 . 1 1 39 39 GLU CA C 13 55.634 0.3 . 1 . . . . . 39 GLU CA . 27166 1 323 . 1 1 39 39 GLU CB C 13 29.140 0.3 . 1 . . . . . 39 GLU CB . 27166 1 324 . 1 1 39 39 GLU CG C 13 35.663 0.3 . 1 . . . . . 39 GLU CG . 27166 1 325 . 1 1 39 39 GLU N N 15 117.928 0.3 . 1 . . . . . 39 GLU N . 27166 1 326 . 1 1 40 40 GLY H H 1 7.213 0.020 . 1 . . . . . 40 GLY H . 27166 1 327 . 1 1 40 40 GLY HA2 H 1 3.579 0.020 . 2 . . . . . 40 GLY HA2 . 27166 1 328 . 1 1 40 40 GLY HA3 H 1 3.885 0.020 . 2 . . . . . 40 GLY HA3 . 27166 1 329 . 1 1 40 40 GLY CA C 13 45.553 0.3 . 1 . . . . . 40 GLY CA . 27166 1 330 . 1 1 40 40 GLY N N 15 105.055 0.3 . 1 . . . . . 40 GLY N . 27166 1 331 . 1 1 41 41 PHE H H 1 8.228 0.020 . 1 . . . . . 41 PHE H . 27166 1 332 . 1 1 41 41 PHE HA H 1 4.750 0.020 . 1 . . . . . 41 PHE HA . 27166 1 333 . 1 1 41 41 PHE HB2 H 1 3.081 0.020 . 2 . . . . . 41 PHE HB2 . 27166 1 334 . 1 1 41 41 PHE HB3 H 1 3.400 0.020 . 2 . . . . . 41 PHE HB3 . 27166 1 335 . 1 1 41 41 PHE HZ H 1 7.124 0.020 . 1 . . . . . 41 PHE HZ . 27166 1 336 . 1 1 41 41 PHE CD1 C 13 130.853 0.3 . 1 . . . . . 41 PHE CD1 . 27166 1 337 . 1 1 41 41 PHE CD2 C 13 130.853 0.3 . 1 . . . . . 41 PHE CD2 . 27166 1 338 . 1 1 41 41 PHE CE1 C 13 129.152 0.3 . 1 . . . . . 41 PHE CE1 . 27166 1 339 . 1 1 41 41 PHE CE2 C 13 129.152 0.3 . 1 . . . . . 41 PHE CE2 . 27166 1 340 . 1 1 41 41 PHE CZ C 13 128.606 0.3 . 1 . . . . . 41 PHE CZ . 27166 1 341 . 1 1 41 41 PHE N N 15 124.272 0.3 . 1 . . . . . 41 PHE N . 27166 1 342 . 1 1 42 42 LYS H H 1 7.470 0.020 . 1 . . . . . 42 LYS H . 27166 1 343 . 1 1 42 42 LYS HA H 1 3.822 0.020 . 1 . . . . . 42 LYS HA . 27166 1 344 . 1 1 42 42 LYS HB2 H 1 1.786 0.020 . 2 . . . . . 42 LYS HB2 . 27166 1 345 . 1 1 42 42 LYS HB3 H 1 1.835 0.020 . 2 . . . . . 42 LYS HB3 . 27166 1 346 . 1 1 42 42 LYS HG2 H 1 1.374 0.020 . 2 . . . . . 42 LYS HG2 . 27166 1 347 . 1 1 42 42 LYS HG3 H 1 1.455 0.020 . 2 . . . . . 42 LYS HG3 . 27166 1 348 . 1 1 42 42 LYS CA C 13 59.851 0.3 . 1 . . . . . 42 LYS CA . 27166 1 349 . 1 1 42 42 LYS CB C 13 33.185 0.3 . 1 . . . . . 42 LYS CB . 27166 1 350 . 1 1 42 42 LYS CG C 13 24.638 0.3 . 1 . . . . . 42 LYS CG . 27166 1 351 . 1 1 42 42 LYS CD C 13 29.080 0.3 . 1 . . . . . 42 LYS CD . 27166 1 352 . 1 1 42 42 LYS CE C 13 41.861 0.3 . 1 . . . . . 42 LYS CE . 27166 1 353 . 1 1 42 42 LYS N N 15 119.845 0.3 . 1 . . . . . 42 LYS N . 27166 1 354 . 1 1 43 43 GLU H H 1 11.120 0.020 . 1 . . . . . 43 GLU H . 27166 1 355 . 1 1 43 43 GLU HA H 1 4.209 0.020 . 1 . . . . . 43 GLU HA . 27166 1 356 . 1 1 43 43 GLU HB2 H 1 1.844 0.020 . 2 . . . . . 43 GLU HB2 . 27166 1 357 . 1 1 43 43 GLU HB3 H 1 1.970 0.020 . 2 . . . . . 43 GLU HB3 . 27166 1 358 . 1 1 43 43 GLU HG2 H 1 2.145 0.020 . 2 . . . . . 43 GLU HG2 . 27166 1 359 . 1 1 43 43 GLU HG3 H 1 2.409 0.020 . 2 . . . . . 43 GLU HG3 . 27166 1 360 . 1 1 43 43 GLU CA C 13 59.559 0.3 . 1 . . . . . 43 GLU CA . 27166 1 361 . 1 1 43 43 GLU CB C 13 28.831 0.3 . 1 . . . . . 43 GLU CB . 27166 1 362 . 1 1 43 43 GLU CG C 13 37.283 0.3 . 1 . . . . . 43 GLU CG . 27166 1 363 . 1 1 43 43 GLU N N 15 124.093 0.3 . 1 . . . . . 43 GLU N . 27166 1 364 . 1 1 44 44 ALA H H 1 10.101 0.020 . 1 . . . . . 44 ALA H . 27166 1 365 . 1 1 44 44 ALA HA H 1 3.909 0.020 . 1 . . . . . 44 ALA HA . 27166 1 366 . 1 1 44 44 ALA CA C 13 55.590 0.3 . 1 . . . . . 44 ALA CA . 27166 1 367 . 1 1 44 44 ALA CB C 13 17.743 0.3 . 1 . . . . . 44 ALA CB . 27166 1 368 . 1 1 44 44 ALA N N 15 126.270 0.3 . 1 . . . . . 44 ALA N . 27166 1 369 . 1 1 45 45 ALA H H 1 8.679 0.020 . 1 . . . . . 45 ALA H . 27166 1 370 . 1 1 45 45 ALA HA H 1 3.985 0.020 . 1 . . . . . 45 ALA HA . 27166 1 371 . 1 1 45 45 ALA CA C 13 55.284 0.3 . 1 . . . . . 45 ALA CA . 27166 1 372 . 1 1 45 45 ALA CB C 13 18.077 0.3 . 1 . . . . . 45 ALA CB . 27166 1 373 . 1 1 45 45 ALA N N 15 118.826 0.3 . 1 . . . . . 45 ALA N . 27166 1 374 . 1 1 46 46 GLU H H 1 7.620 0.020 . 1 . . . . . 46 GLU H . 27166 1 375 . 1 1 46 46 GLU HA H 1 4.085 0.020 . 1 . . . . . 46 GLU HA . 27166 1 376 . 1 1 46 46 GLU HB2 H 1 2.068 0.020 . 2 . . . . . 46 GLU HB2 . 27166 1 377 . 1 1 46 46 GLU HB3 H 1 2.155 0.020 . 2 . . . . . 46 GLU HB3 . 27166 1 378 . 1 1 46 46 GLU CA C 13 58.897 0.3 . 1 . . . . . 46 GLU CA . 27166 1 379 . 1 1 46 46 GLU CB C 13 29.250 0.3 . 1 . . . . . 46 GLU CB . 27166 1 380 . 1 1 46 46 GLU CG C 13 35.561 0.3 . 1 . . . . . 46 GLU CG . 27166 1 381 . 1 1 46 46 GLU N N 15 117.755 0.3 . 1 . . . . . 46 GLU N . 27166 1 382 . 1 1 47 47 LYS H H 1 7.906 0.020 . 1 . . . . . 47 LYS H . 27166 1 383 . 1 1 47 47 LYS HA H 1 4.124 0.020 . 1 . . . . . 47 LYS HA . 27166 1 384 . 1 1 47 47 LYS HB2 H 1 1.580 0.020 . 2 . . . . . 47 LYS HB2 . 27166 1 385 . 1 1 47 47 LYS HB3 H 1 1.856 0.020 . 2 . . . . . 47 LYS HB3 . 27166 1 386 . 1 1 47 47 LYS HG2 H 1 1.204 0.020 . 2 . . . . . 47 LYS HG2 . 27166 1 387 . 1 1 47 47 LYS HG3 H 1 1.639 0.020 . 2 . . . . . 47 LYS HG3 . 27166 1 388 . 1 1 47 47 LYS HD2 H 1 1.471 0.020 . 2 . . . . . 47 LYS HD2 . 27166 1 389 . 1 1 47 47 LYS HD3 H 1 1.680 0.020 . 2 . . . . . 47 LYS HD3 . 27166 1 390 . 1 1 47 47 LYS HE2 H 1 2.863 0.020 . 2 . . . . . 47 LYS HE2 . 27166 1 391 . 1 1 47 47 LYS HE3 H 1 2.932 0.020 . 2 . . . . . 47 LYS HE3 . 27166 1 392 . 1 1 47 47 LYS CA C 13 56.678 0.3 . 1 . . . . . 47 LYS CA . 27166 1 393 . 1 1 47 47 LYS CB C 13 30.731 0.3 . 1 . . . . . 47 LYS CB . 27166 1 394 . 1 1 47 47 LYS CG C 13 24.365 0.3 . 1 . . . . . 47 LYS CG . 27166 1 395 . 1 1 47 47 LYS CD C 13 27.113 0.3 . 1 . . . . . 47 LYS CD . 27166 1 396 . 1 1 47 47 LYS CE C 13 41.861 0.3 . 1 . . . . . 47 LYS CE . 27166 1 397 . 1 1 47 47 LYS N N 15 116.187 0.3 . 1 . . . . . 47 LYS N . 27166 1 398 . 1 1 48 48 PHE H H 1 9.201 0.020 . 1 . . . . . 48 PHE H . 27166 1 399 . 1 1 48 48 PHE HA H 1 3.973 0.020 . 1 . . . . . 48 PHE HA . 27166 1 400 . 1 1 48 48 PHE HZ H 1 7.085 0.020 . 1 . . . . . 48 PHE HZ . 27166 1 401 . 1 1 48 48 PHE CA C 13 61.270 0.3 . 1 . . . . . 48 PHE CA . 27166 1 402 . 1 1 48 48 PHE CB C 13 39.111 0.3 . 1 . . . . . 48 PHE CB . 27166 1 403 . 1 1 48 48 PHE CD1 C 13 130.060 0.3 . 1 . . . . . 48 PHE CD1 . 27166 1 404 . 1 1 48 48 PHE CD2 C 13 130.060 0.3 . 1 . . . . . 48 PHE CD2 . 27166 1 405 . 1 1 48 48 PHE CE1 C 13 131.397 0.3 . 1 . . . . . 48 PHE CE1 . 27166 1 406 . 1 1 48 48 PHE CE2 C 13 131.397 0.3 . 1 . . . . . 48 PHE CE2 . 27166 1 407 . 1 1 48 48 PHE N N 15 120.097 0.3 . 1 . . . . . 48 PHE N . 27166 1 408 . 1 1 49 49 ARG H H 1 8.709 0.020 . 1 . . . . . 49 ARG H . 27166 1 409 . 1 1 49 49 ARG HA H 1 3.616 0.020 . 1 . . . . . 49 ARG HA . 27166 1 410 . 1 1 49 49 ARG HG2 H 1 1.501 0.020 . 2 . . . . . 49 ARG HG2 . 27166 1 411 . 1 1 49 49 ARG HG3 H 1 1.581 0.020 . 2 . . . . . 49 ARG HG3 . 27166 1 412 . 1 1 49 49 ARG HD2 H 1 3.065 0.020 . 2 . . . . . 49 ARG HD2 . 27166 1 413 . 1 1 49 49 ARG HD3 H 1 3.159 0.020 . 2 . . . . . 49 ARG HD3 . 27166 1 414 . 1 1 49 49 ARG CA C 13 59.800 0.3 . 1 . . . . . 49 ARG CA . 27166 1 415 . 1 1 49 49 ARG CB C 13 29.562 0.3 . 1 . . . . . 49 ARG CB . 27166 1 416 . 1 1 49 49 ARG CG C 13 26.742 0.3 . 1 . . . . . 49 ARG CG . 27166 1 417 . 1 1 49 49 ARG CD C 13 43.268 0.3 . 1 . . . . . 49 ARG CD . 27166 1 418 . 1 1 49 49 ARG N N 15 123.000 0.3 . 1 . . . . . 49 ARG N . 27166 1 419 . 1 1 50 50 MET H H 1 7.139 0.020 . 1 . . . . . 50 MET H . 27166 1 420 . 1 1 50 50 MET HA H 1 4.087 0.020 . 1 . . . . . 50 MET HA . 27166 1 421 . 1 1 50 50 MET HG2 H 1 2.482 0.020 . 2 . . . . . 50 MET HG2 . 27166 1 422 . 1 1 50 50 MET HG3 H 1 2.696 0.020 . 2 . . . . . 50 MET HG3 . 27166 1 423 . 1 1 50 50 MET CA C 13 58.008 0.3 . 1 . . . . . 50 MET CA . 27166 1 424 . 1 1 50 50 MET CB C 13 32.358 0.3 . 1 . . . . . 50 MET CB . 27166 1 425 . 1 1 50 50 MET CG C 13 31.522 0.3 . 1 . . . . . 50 MET CG . 27166 1 426 . 1 1 50 50 MET CE C 13 16.750 0.3 . 1 . . . . . 50 MET CE . 27166 1 427 . 1 1 50 50 MET N N 15 116.559 0.3 . 1 . . . . . 50 MET N . 27166 1 428 . 1 1 51 51 GLU H H 1 8.544 0.020 . 1 . . . . . 51 GLU H . 27166 1 429 . 1 1 51 51 GLU HA H 1 3.952 0.020 . 1 . . . . . 51 GLU HA . 27166 1 430 . 1 1 51 51 GLU HG2 H 1 2.185 0.020 . 2 . . . . . 51 GLU HG2 . 27166 1 431 . 1 1 51 51 GLU HG3 H 1 2.490 0.020 . 2 . . . . . 51 GLU HG3 . 27166 1 432 . 1 1 51 51 GLU CA C 13 59.110 0.3 . 1 . . . . . 51 GLU CA . 27166 1 433 . 1 1 51 51 GLU CB C 13 31.187 0.3 . 1 . . . . . 51 GLU CB . 27166 1 434 . 1 1 51 51 GLU CG C 13 38.723 0.3 . 1 . . . . . 51 GLU CG . 27166 1 435 . 1 1 51 51 GLU N N 15 118.472 0.3 . 1 . . . . . 51 GLU N . 27166 1 436 . 1 1 52 52 SER H H 1 8.081 0.020 . 1 . . . . . 52 SER H . 27166 1 437 . 1 1 52 52 SER HA H 1 3.911 0.020 . 1 . . . . . 52 SER HA . 27166 1 438 . 1 1 52 52 SER HB2 H 1 2.237 0.020 . 2 . . . . . 52 SER HB2 . 27166 1 439 . 1 1 52 52 SER HB3 H 1 3.247 0.020 . 2 . . . . . 52 SER HB3 . 27166 1 440 . 1 1 52 52 SER CA C 13 59.253 0.3 . 1 . . . . . 52 SER CA . 27166 1 441 . 1 1 52 52 SER CB C 13 64.186 0.3 . 1 . . . . . 52 SER CB . 27166 1 442 . 1 1 52 52 SER N N 15 111.505 0.3 . 1 . . . . . 52 SER N . 27166 1 443 . 1 1 53 53 GLY H H 1 7.318 0.020 . 1 . . . . . 53 GLY H . 27166 1 444 . 1 1 53 53 GLY HA2 H 1 3.773 0.020 . 2 . . . . . 53 GLY HA2 . 27166 1 445 . 1 1 53 53 GLY HA3 H 1 3.943 0.020 . 2 . . . . . 53 GLY HA3 . 27166 1 446 . 1 1 53 53 GLY CA C 13 45.910 0.3 . 1 . . . . . 53 GLY CA . 27166 1 447 . 1 1 53 53 GLY N N 15 110.870 0.3 . 1 . . . . . 53 GLY N . 27166 1 448 . 1 1 54 54 ILE H H 1 7.336 0.020 . 1 . . . . . 54 ILE H . 27166 1 449 . 1 1 54 54 ILE HA H 1 3.938 0.020 . 1 . . . . . 54 ILE HA . 27166 1 450 . 1 1 54 54 ILE HB H 1 1.638 0.020 . 1 . . . . . 54 ILE HB . 27166 1 451 . 1 1 54 54 ILE HG12 H 1 1.042 0.020 . 2 . . . . . 54 ILE HG12 . 27166 1 452 . 1 1 54 54 ILE HG13 H 1 1.318 0.020 . 2 . . . . . 54 ILE HG13 . 27166 1 453 . 1 1 54 54 ILE CA C 13 61.172 0.3 . 1 . . . . . 54 ILE CA . 27166 1 454 . 1 1 54 54 ILE CB C 13 38.196 0.3 . 1 . . . . . 54 ILE CB . 27166 1 455 . 1 1 54 54 ILE CG1 C 13 27.311 0.3 . 1 . . . . . 54 ILE CG1 . 27166 1 456 . 1 1 54 54 ILE CG2 C 13 17.484 0.3 . 1 . . . . . 54 ILE CG2 . 27166 1 457 . 1 1 54 54 ILE CD1 C 13 13.198 0.3 . 1 . . . . . 54 ILE CD1 . 27166 1 458 . 1 1 54 54 ILE N N 15 119.424 0.3 . 1 . . . . . 54 ILE N . 27166 1 459 . 1 1 55 55 GLU H H 1 8.117 0.020 . 1 . . . . . 55 GLU H . 27166 1 460 . 1 1 55 55 GLU HA H 1 4.539 0.020 . 1 . . . . . 55 GLU HA . 27166 1 461 . 1 1 55 55 GLU HB2 H 1 1.756 0.020 . 2 . . . . . 55 GLU HB2 . 27166 1 462 . 1 1 55 55 GLU HB3 H 1 1.978 0.020 . 2 . . . . . 55 GLU HB3 . 27166 1 463 . 1 1 55 55 GLU CA C 13 53.600 0.3 . 1 . . . . . 55 GLU CA . 27166 1 464 . 1 1 55 55 GLU CB C 13 29.910 0.3 . 1 . . . . . 55 GLU CB . 27166 1 465 . 1 1 55 55 GLU CG C 13 35.772 0.3 . 1 . . . . . 55 GLU CG . 27166 1 466 . 1 1 55 55 GLU N N 15 123.983 0.3 . 1 . . . . . 55 GLU N . 27166 1 467 . 1 1 56 56 PRO HA H 1 4.348 0.020 . 1 . . . . . 56 PRO HA . 27166 1 468 . 1 1 56 56 PRO HB2 H 1 1.879 0.020 . 2 . . . . . 56 PRO HB2 . 27166 1 469 . 1 1 56 56 PRO HB3 H 1 2.200 0.020 . 2 . . . . . 56 PRO HB3 . 27166 1 470 . 1 1 56 56 PRO CA C 13 62.888 0.3 . 1 . . . . . 56 PRO CA . 27166 1 471 . 1 1 56 56 PRO CB C 13 31.938 0.3 . 1 . . . . . 56 PRO CB . 27166 1 472 . 1 1 56 56 PRO CG C 13 27.064 0.3 . 1 . . . . . 56 PRO CG . 27166 1 473 . 1 1 56 56 PRO CD C 13 50.353 0.3 . 1 . . . . . 56 PRO CD . 27166 1 474 . 1 1 57 57 SER H H 1 8.411 0.020 . 1 . . . . . 57 SER H . 27166 1 475 . 1 1 57 57 SER HA H 1 4.434 0.020 . 1 . . . . . 57 SER HA . 27166 1 476 . 1 1 57 57 SER CA C 13 57.795 0.3 . 1 . . . . . 57 SER CA . 27166 1 477 . 1 1 57 57 SER CB C 13 63.610 0.3 . 1 . . . . . 57 SER CB . 27166 1 478 . 1 1 57 57 SER N N 15 116.273 0.3 . 1 . . . . . 57 SER N . 27166 1 479 . 1 1 58 58 VAL H H 1 8.124 0.020 . 1 . . . . . 58 VAL H . 27166 1 480 . 1 1 58 58 VAL HA H 1 4.166 0.020 . 1 . . . . . 58 VAL HA . 27166 1 481 . 1 1 58 58 VAL HB H 1 2.083 0.020 . 1 . . . . . 58 VAL HB . 27166 1 482 . 1 1 58 58 VAL CA C 13 61.663 0.3 . 1 . . . . . 58 VAL CA . 27166 1 483 . 1 1 58 58 VAL CB C 13 32.728 0.3 . 1 . . . . . 58 VAL CB . 27166 1 484 . 1 1 58 58 VAL CG1 C 13 19.579 0.3 . 1 . . . . . 58 VAL CG1 . 27166 1 485 . 1 1 58 58 VAL CG2 C 13 21.016 0.3 . 1 . . . . . 58 VAL CG2 . 27166 1 486 . 1 1 58 58 VAL N N 15 121.095 0.3 . 1 . . . . . 58 VAL N . 27166 1 487 . 1 1 59 59 ASP H H 1 7.876 0.020 . 1 . . . . . 59 ASP H . 27166 1 488 . 1 1 59 59 ASP HA H 1 4.318 0.020 . 1 . . . . . 59 ASP HA . 27166 1 489 . 1 1 59 59 ASP HB2 H 1 2.466 0.020 . 2 . . . . . 59 ASP HB2 . 27166 1 490 . 1 1 59 59 ASP HB3 H 1 2.593 0.020 . 2 . . . . . 59 ASP HB3 . 27166 1 491 . 1 1 59 59 ASP CA C 13 55.626 0.3 . 1 . . . . . 59 ASP CA . 27166 1 492 . 1 1 59 59 ASP CB C 13 42.164 0.3 . 1 . . . . . 59 ASP CB . 27166 1 493 . 1 1 59 59 ASP N N 15 128.585 0.3 . 1 . . . . . 59 ASP N . 27166 1 stop_ save_