data_25818 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25818 _Entry.Title ; Structure of the transmembrane domain of human nicastrin in DPC micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-17 _Entry.Accession_date 2015-09-17 _Entry.Last_release_date 2016-04-25 _Entry.Original_release_date 2016-04-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yan Li . . . . 25818 2 Lynette Liew . . . . 25818 3 Qingxin Li . . . . 25818 4 CongBao Kang . . . . 25818 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25818 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Membrnae Protein' . 25818 gamma-secretase . 25818 nicastrin . 25818 nmr . 25818 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25818 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 120 25818 '15N chemical shifts' 45 25818 '1H chemical shifts' 254 25818 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-04-25 . original BMRB . 25818 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25817 'transmembrane domain of human nicastrin in SDS micelles' 25818 PDB 2N7R 'BMRB Entry Tracking System' 25818 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25818 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26776682 _Citation.Full_citation . _Citation.Title ; Structure of the transmembrane domain of human nicastrin-a component of -secretase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _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 19522 _Citation.Page_last 19522 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yan Li . . . . 25818 1 2 Lynette Liew . . . . 25818 1 3 Qingxin Li . . . . 25818 1 4 CongBao Kang . . . . 25818 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25818 _Assembly.ID 1 _Assembly.Name 'transmembrane domain of human nicastrin in DPC micelles' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 transmembrane_domain_of_human_nicastrin 1 $transmembrane_domain_of_human_nicastrin A . yes native no no . . . 25818 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_transmembrane_domain_of_human_nicastrin _Entity.Sf_category entity _Entity.Sf_framecode transmembrane_domain_of_human_nicastrin _Entity.Entry_ID 25818 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name transmembrane_domain_of_human_nicastrin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAHHHHHHASKELELITLTV GFGILIFSLIVTYCINAKAD VLFIAPREPGAVSY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 54 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4960.896 _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 -7 MET . 25818 1 2 -6 ALA . 25818 1 3 -5 HIS . 25818 1 4 -4 HIS . 25818 1 5 -3 HIS . 25818 1 6 -2 HIS . 25818 1 7 -1 HIS . 25818 1 8 0 HIS . 25818 1 9 1 ALA . 25818 1 10 2 SER . 25818 1 11 3 LYS . 25818 1 12 4 GLU . 25818 1 13 5 LEU . 25818 1 14 6 GLU . 25818 1 15 7 LEU . 25818 1 16 8 ILE . 25818 1 17 9 THR . 25818 1 18 10 LEU . 25818 1 19 11 THR . 25818 1 20 12 VAL . 25818 1 21 13 GLY . 25818 1 22 14 PHE . 25818 1 23 15 GLY . 25818 1 24 16 ILE . 25818 1 25 17 LEU . 25818 1 26 18 ILE . 25818 1 27 19 PHE . 25818 1 28 20 SER . 25818 1 29 21 LEU . 25818 1 30 22 ILE . 25818 1 31 23 VAL . 25818 1 32 24 THR . 25818 1 33 25 TYR . 25818 1 34 26 CYS . 25818 1 35 27 ILE . 25818 1 36 28 ASN . 25818 1 37 29 ALA . 25818 1 38 30 LYS . 25818 1 39 31 ALA . 25818 1 40 32 ASP . 25818 1 41 33 VAL . 25818 1 42 34 LEU . 25818 1 43 35 PHE . 25818 1 44 36 ILE . 25818 1 45 37 ALA . 25818 1 46 38 PRO . 25818 1 47 39 ARG . 25818 1 48 40 GLU . 25818 1 49 41 PRO . 25818 1 50 42 GLY . 25818 1 51 43 ALA . 25818 1 52 44 VAL . 25818 1 53 45 SER . 25818 1 54 46 TYR . 25818 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 . MET 1 1 25818 1 . ALA 2 2 25818 1 . HIS 3 3 25818 1 . HIS 4 4 25818 1 . HIS 5 5 25818 1 . HIS 6 6 25818 1 . HIS 7 7 25818 1 . HIS 8 8 25818 1 . ALA 9 9 25818 1 . SER 10 10 25818 1 . LYS 11 11 25818 1 . GLU 12 12 25818 1 . LEU 13 13 25818 1 . GLU 14 14 25818 1 . LEU 15 15 25818 1 . ILE 16 16 25818 1 . THR 17 17 25818 1 . LEU 18 18 25818 1 . THR 19 19 25818 1 . VAL 20 20 25818 1 . GLY 21 21 25818 1 . PHE 22 22 25818 1 . GLY 23 23 25818 1 . ILE 24 24 25818 1 . LEU 25 25 25818 1 . ILE 26 26 25818 1 . PHE 27 27 25818 1 . SER 28 28 25818 1 . LEU 29 29 25818 1 . ILE 30 30 25818 1 . VAL 31 31 25818 1 . THR 32 32 25818 1 . TYR 33 33 25818 1 . CYS 34 34 25818 1 . ILE 35 35 25818 1 . ASN 36 36 25818 1 . ALA 37 37 25818 1 . LYS 38 38 25818 1 . ALA 39 39 25818 1 . ASP 40 40 25818 1 . VAL 41 41 25818 1 . LEU 42 42 25818 1 . PHE 43 43 25818 1 . ILE 44 44 25818 1 . ALA 45 45 25818 1 . PRO 46 46 25818 1 . ARG 47 47 25818 1 . GLU 48 48 25818 1 . PRO 49 49 25818 1 . GLY 50 50 25818 1 . ALA 51 51 25818 1 . VAL 52 52 25818 1 . SER 53 53 25818 1 . TYR 54 54 25818 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 25818 _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 $transmembrane_domain_of_human_nicastrin . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25818 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 25818 _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 $transmembrane_domain_of_human_nicastrin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET29b . . . 25818 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25818 _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 'transmembrane domain of human nicastrin' '[U-100% 13C; U-100% 15N]' . . 1 $transmembrane_domain_of_human_nicastrin . . 0.8 . . mM . . . . 25818 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25818 1 3 DPC 'natural abundance' . . . . . . 200 . . mM . . . . 25818 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25818 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25818 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25818 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 25818 _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' 20 . mM 25818 1 pH 6.5 . pH 25818 1 pressure 1 . atm 25818 1 temperature 313 . K 25818 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25818 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25818 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25818 1 'Johnson, One Moon Scientific' . . 25818 1 'Keller and Wuthrich' . . 25818 1 'Schwieters, Kuszewski, Tjandra and Clore' . . 25818 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25818 1 processing 25818 1 'structure solution' 25818 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 25818 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25818 _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 . 700 . . . 25818 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 25818 _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 . . . . . . . . . . . . . . . . 25818 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25818 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25818 1 4 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25818 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25818 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25818 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25818 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 25818 _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 internal indirect 0.251449530 . . . . . 25818 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 25818 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 25818 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 25818 _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' . . . 25818 1 2 '3D HNCA' . . . 25818 1 3 '3D HNCACB' . . . 25818 1 5 '3D HNCO' . . . 25818 1 6 '3D 1H-15N NOESY' . . . 25818 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 9 9 ALA H H 1 8.384 0.020 . 1 . . . A 1 ALA H . 25818 1 2 . 1 1 9 9 ALA C C 13 177.401 0.300 . 1 . . . A 1 ALA C . 25818 1 3 . 1 1 9 9 ALA CA C 13 52.545 0.300 . 1 . . . A 1 ALA CA . 25818 1 4 . 1 1 9 9 ALA CB C 13 19.447 0.300 . 1 . . . A 1 ALA CB . 25818 1 5 . 1 1 9 9 ALA N N 15 124.807 0.300 . 1 . . . A 1 ALA N . 25818 1 6 . 1 1 10 10 SER H H 1 8.287 0.020 . 1 . . . A 2 SER H . 25818 1 7 . 1 1 10 10 SER HA H 1 4.322 0.020 . 1 . . . A 2 SER HA . 25818 1 8 . 1 1 10 10 SER HB2 H 1 3.994 0.020 . 2 . . . A 2 SER HB2 . 25818 1 9 . 1 1 10 10 SER HB3 H 1 3.994 0.020 . 2 . . . A 2 SER HB3 . 25818 1 10 . 1 1 10 10 SER C C 13 175.102 0.300 . 1 . . . A 2 SER C . 25818 1 11 . 1 1 10 10 SER CA C 13 58.862 0.300 . 1 . . . A 2 SER CA . 25818 1 12 . 1 1 10 10 SER CB C 13 63.783 0.300 . 1 . . . A 2 SER CB . 25818 1 13 . 1 1 10 10 SER N N 15 115.072 0.300 . 1 . . . A 2 SER N . 25818 1 14 . 1 1 11 11 LYS H H 1 8.418 0.020 . 1 . . . A 3 LYS H . 25818 1 15 . 1 1 11 11 LYS HA H 1 4.223 0.020 . 1 . . . A 3 LYS HA . 25818 1 16 . 1 1 11 11 LYS HB2 H 1 1.801 0.020 . 2 . . . A 3 LYS HB2 . 25818 1 17 . 1 1 11 11 LYS HB3 H 1 1.801 0.020 . 2 . . . A 3 LYS HB3 . 25818 1 18 . 1 1 11 11 LYS C C 13 177.259 0.300 . 1 . . . A 3 LYS C . 25818 1 19 . 1 1 11 11 LYS CA C 13 57.484 0.300 . 1 . . . A 3 LYS CA . 25818 1 20 . 1 1 11 11 LYS CB C 13 32.230 0.300 . 1 . . . A 3 LYS CB . 25818 1 21 . 1 1 11 11 LYS N N 15 122.944 0.300 . 1 . . . A 3 LYS N . 25818 1 22 . 1 1 12 12 GLU H H 1 8.583 0.020 . 1 . . . A 4 GLU H . 25818 1 23 . 1 1 12 12 GLU HA H 1 4.086 0.020 . 1 . . . A 4 GLU HA . 25818 1 24 . 1 1 12 12 GLU HB2 H 1 1.989 0.020 . 2 . . . A 4 GLU HB2 . 25818 1 25 . 1 1 12 12 GLU HB3 H 1 1.989 0.020 . 2 . . . A 4 GLU HB3 . 25818 1 26 . 1 1 12 12 GLU C C 13 177.164 0.300 . 1 . . . A 4 GLU C . 25818 1 27 . 1 1 12 12 GLU CA C 13 58.874 0.300 . 1 . . . A 4 GLU CA . 25818 1 28 . 1 1 12 12 GLU CB C 13 29.407 0.300 . 1 . . . A 4 GLU CB . 25818 1 29 . 1 1 12 12 GLU N N 15 119.651 0.300 . 1 . . . A 4 GLU N . 25818 1 30 . 1 1 13 13 LEU H H 1 8.069 0.020 . 1 . . . A 5 LEU H . 25818 1 31 . 1 1 13 13 LEU HA H 1 4.169 0.020 . 1 . . . A 5 LEU HA . 25818 1 32 . 1 1 13 13 LEU HB2 H 1 1.626 0.020 . 2 . . . A 5 LEU HB2 . 25818 1 33 . 1 1 13 13 LEU HB3 H 1 1.695 0.020 . 2 . . . A 5 LEU HB3 . 25818 1 34 . 1 1 13 13 LEU HD11 H 1 0.881 0.020 . 2 . . . A 5 LEU HD11 . 25818 1 35 . 1 1 13 13 LEU HD12 H 1 0.881 0.020 . 2 . . . A 5 LEU HD12 . 25818 1 36 . 1 1 13 13 LEU HD13 H 1 0.881 0.020 . 2 . . . A 5 LEU HD13 . 25818 1 37 . 1 1 13 13 LEU HD21 H 1 0.881 0.020 . 2 . . . A 5 LEU HD21 . 25818 1 38 . 1 1 13 13 LEU HD22 H 1 0.881 0.020 . 2 . . . A 5 LEU HD22 . 25818 1 39 . 1 1 13 13 LEU HD23 H 1 0.881 0.020 . 2 . . . A 5 LEU HD23 . 25818 1 40 . 1 1 13 13 LEU C C 13 178.517 0.300 . 1 . . . A 5 LEU C . 25818 1 41 . 1 1 13 13 LEU CA C 13 56.636 0.300 . 1 . . . A 5 LEU CA . 25818 1 42 . 1 1 13 13 LEU CB C 13 41.930 0.300 . 1 . . . A 5 LEU CB . 25818 1 43 . 1 1 13 13 LEU N N 15 119.754 0.300 . 1 . . . A 5 LEU N . 25818 1 44 . 1 1 14 14 GLU H H 1 8.367 0.020 . 1 . . . A 6 GLU H . 25818 1 45 . 1 1 14 14 GLU HA H 1 4.088 0.020 . 1 . . . A 6 GLU HA . 25818 1 46 . 1 1 14 14 GLU C C 13 177.306 0.300 . 1 . . . A 6 GLU C . 25818 1 47 . 1 1 14 14 GLU CA C 13 59.008 0.300 . 1 . . . A 6 GLU CA . 25818 1 48 . 1 1 14 14 GLU N N 15 121.615 0.300 . 1 . . . A 6 GLU N . 25818 1 49 . 1 1 15 15 LEU H H 1 8.215 0.020 . 1 . . . A 7 LEU H . 25818 1 50 . 1 1 15 15 LEU HB2 H 1 1.648 0.020 . 2 . . . A 7 LEU HB2 . 25818 1 51 . 1 1 15 15 LEU HB3 H 1 1.825 0.020 . 2 . . . A 7 LEU HB3 . 25818 1 52 . 1 1 15 15 LEU HD11 H 1 0.905 0.020 . 2 . . . A 7 LEU HD11 . 25818 1 53 . 1 1 15 15 LEU HD12 H 1 0.905 0.020 . 2 . . . A 7 LEU HD12 . 25818 1 54 . 1 1 15 15 LEU HD13 H 1 0.905 0.020 . 2 . . . A 7 LEU HD13 . 25818 1 55 . 1 1 15 15 LEU HD21 H 1 0.905 0.020 . 2 . . . A 7 LEU HD21 . 25818 1 56 . 1 1 15 15 LEU HD22 H 1 0.905 0.020 . 2 . . . A 7 LEU HD22 . 25818 1 57 . 1 1 15 15 LEU HD23 H 1 0.905 0.020 . 2 . . . A 7 LEU HD23 . 25818 1 58 . 1 1 15 15 LEU CA C 13 57.826 0.300 . 1 . . . A 7 LEU CA . 25818 1 59 . 1 1 15 15 LEU N N 15 119.398 0.300 . 1 . . . A 7 LEU N . 25818 1 60 . 1 1 16 16 ILE H H 1 8.518 0.020 . 1 . . . A 8 ILE H . 25818 1 61 . 1 1 16 16 ILE CA C 13 65.302 0.300 . 1 . . . A 8 ILE CA . 25818 1 62 . 1 1 16 16 ILE N N 15 120.843 0.300 . 1 . . . A 8 ILE N . 25818 1 63 . 1 1 17 17 THR H H 1 7.782 0.020 . 1 . . . A 9 THR H . 25818 1 64 . 1 1 17 17 THR CA C 13 67.586 0.300 . 1 . . . A 9 THR CA . 25818 1 65 . 1 1 17 17 THR N N 15 115.829 0.300 . 1 . . . A 9 THR N . 25818 1 66 . 1 1 18 18 LEU H H 1 8.086 0.020 . 1 . . . A 10 LEU H . 25818 1 67 . 1 1 18 18 LEU HA H 1 3.954 0.020 . 1 . . . A 10 LEU HA . 25818 1 68 . 1 1 18 18 LEU HB2 H 1 1.608 0.020 . 2 . . . A 10 LEU HB2 . 25818 1 69 . 1 1 18 18 LEU HB3 H 1 1.825 0.020 . 2 . . . A 10 LEU HB3 . 25818 1 70 . 1 1 18 18 LEU C C 13 177.875 0.300 . 1 . . . A 10 LEU C . 25818 1 71 . 1 1 18 18 LEU CA C 13 58.484 0.300 . 1 . . . A 10 LEU CA . 25818 1 72 . 1 1 18 18 LEU CB C 13 41.962 0.300 . 1 . . . A 10 LEU CB . 25818 1 73 . 1 1 18 18 LEU N N 15 119.886 0.300 . 1 . . . A 10 LEU N . 25818 1 74 . 1 1 19 19 THR H H 1 8.033 0.020 . 1 . . . A 11 THR H . 25818 1 75 . 1 1 19 19 THR HA H 1 4.220 0.020 . 1 . . . A 11 THR HA . 25818 1 76 . 1 1 19 19 THR HB H 1 3.805 0.020 . 1 . . . A 11 THR HB . 25818 1 77 . 1 1 19 19 THR HG21 H 1 1.161 0.020 . 1 . . . A 11 THR HG21 . 25818 1 78 . 1 1 19 19 THR HG22 H 1 1.161 0.020 . 1 . . . A 11 THR HG22 . 25818 1 79 . 1 1 19 19 THR HG23 H 1 1.161 0.020 . 1 . . . A 11 THR HG23 . 25818 1 80 . 1 1 19 19 THR CA C 13 67.939 0.300 . 1 . . . A 11 THR CA . 25818 1 81 . 1 1 19 19 THR N N 15 114.351 0.300 . 1 . . . A 11 THR N . 25818 1 82 . 1 1 20 20 VAL H H 1 8.263 0.020 . 1 . . . A 12 VAL H . 25818 1 83 . 1 1 20 20 VAL HA H 1 3.568 0.020 . 1 . . . A 12 VAL HA . 25818 1 84 . 1 1 20 20 VAL C C 13 177.733 0.300 . 1 . . . A 12 VAL C . 25818 1 85 . 1 1 20 20 VAL CA C 13 67.141 0.300 . 1 . . . A 12 VAL CA . 25818 1 86 . 1 1 20 20 VAL N N 15 120.398 0.300 . 1 . . . A 12 VAL N . 25818 1 87 . 1 1 21 21 GLY H H 1 8.563 0.020 . 1 . . . A 13 GLY H . 25818 1 88 . 1 1 21 21 GLY HA2 H 1 3.575 0.020 . 2 . . . A 13 GLY HA2 . 25818 1 89 . 1 1 21 21 GLY HA3 H 1 3.575 0.020 . 2 . . . A 13 GLY HA3 . 25818 1 90 . 1 1 21 21 GLY C C 13 174.414 0.300 . 1 . . . A 13 GLY C . 25818 1 91 . 1 1 21 21 GLY CA C 13 47.836 0.300 . 1 . . . A 13 GLY CA . 25818 1 92 . 1 1 21 21 GLY N N 15 106.524 0.300 . 1 . . . A 13 GLY N . 25818 1 93 . 1 1 22 22 PHE H H 1 8.678 0.020 . 1 . . . A 14 PHE H . 25818 1 94 . 1 1 22 22 PHE HA H 1 4.210 0.020 . 1 . . . A 14 PHE HA . 25818 1 95 . 1 1 22 22 PHE HB2 H 1 3.198 0.020 . 2 . . . A 14 PHE HB2 . 25818 1 96 . 1 1 22 22 PHE HB3 H 1 3.113 0.020 . 2 . . . A 14 PHE HB3 . 25818 1 97 . 1 1 22 22 PHE C C 13 177.591 0.300 . 1 . . . A 14 PHE C . 25818 1 98 . 1 1 22 22 PHE CA C 13 61.702 0.300 . 1 . . . A 14 PHE CA . 25818 1 99 . 1 1 22 22 PHE CB C 13 38.916 0.300 . 1 . . . A 14 PHE CB . 25818 1 100 . 1 1 22 22 PHE N N 15 120.589 0.300 . 1 . . . A 14 PHE N . 25818 1 101 . 1 1 23 23 GLY H H 1 8.582 0.020 . 1 . . . A 15 GLY H . 25818 1 102 . 1 1 23 23 GLY HA2 H 1 3.540 0.020 . 2 . . . A 15 GLY HA2 . 25818 1 103 . 1 1 23 23 GLY HA3 H 1 3.540 0.020 . 2 . . . A 15 GLY HA3 . 25818 1 104 . 1 1 23 23 GLY C C 13 174.533 0.300 . 1 . . . A 15 GLY C . 25818 1 105 . 1 1 23 23 GLY CA C 13 47.707 0.300 . 1 . . . A 15 GLY CA . 25818 1 106 . 1 1 23 23 GLY N N 15 106.691 0.300 . 1 . . . A 15 GLY N . 25818 1 107 . 1 1 24 24 ILE H H 1 8.599 0.020 . 1 . . . A 16 ILE H . 25818 1 108 . 1 1 24 24 ILE HA H 1 3.640 0.020 . 1 . . . A 16 ILE HA . 25818 1 109 . 1 1 24 24 ILE HB H 1 2.002 0.020 . 1 . . . A 16 ILE HB . 25818 1 110 . 1 1 24 24 ILE HG12 H 1 1.267 0.020 . 2 . . . A 16 ILE HG12 . 25818 1 111 . 1 1 24 24 ILE HG13 H 1 1.267 0.020 . 2 . . . A 16 ILE HG13 . 25818 1 112 . 1 1 24 24 ILE HG21 H 1 0.839 0.020 . 2 . . . A 16 ILE HG21 . 25818 1 113 . 1 1 24 24 ILE HG22 H 1 0.839 0.020 . 2 . . . A 16 ILE HG22 . 25818 1 114 . 1 1 24 24 ILE HG23 H 1 0.839 0.020 . 2 . . . A 16 ILE HG23 . 25818 1 115 . 1 1 24 24 ILE HD11 H 1 0.742 0.020 . 2 . . . A 16 ILE HD11 . 25818 1 116 . 1 1 24 24 ILE HD12 H 1 0.742 0.020 . 2 . . . A 16 ILE HD12 . 25818 1 117 . 1 1 24 24 ILE HD13 H 1 0.742 0.020 . 2 . . . A 16 ILE HD13 . 25818 1 118 . 1 1 24 24 ILE C C 13 178.658 0.300 . 1 . . . A 16 ILE C . 25818 1 119 . 1 1 24 24 ILE CA C 13 65.430 0.300 . 1 . . . A 16 ILE CA . 25818 1 120 . 1 1 24 24 ILE CB C 13 37.188 0.300 . 1 . . . A 16 ILE CB . 25818 1 121 . 1 1 24 24 ILE N N 15 120.894 0.300 . 1 . . . A 16 ILE N . 25818 1 122 . 1 1 25 25 LEU H H 1 8.206 0.020 . 1 . . . A 17 LEU H . 25818 1 123 . 1 1 25 25 LEU HA H 1 3.960 0.020 . 1 . . . A 17 LEU HA . 25818 1 124 . 1 1 25 25 LEU HB2 H 1 1.635 0.020 . 2 . . . A 17 LEU HB2 . 25818 1 125 . 1 1 25 25 LEU HB3 H 1 1.858 0.020 . 2 . . . A 17 LEU HB3 . 25818 1 126 . 1 1 25 25 LEU HD11 H 1 0.800 0.020 . 2 . . . A 17 LEU HD11 . 25818 1 127 . 1 1 25 25 LEU HD12 H 1 0.800 0.020 . 2 . . . A 17 LEU HD12 . 25818 1 128 . 1 1 25 25 LEU HD13 H 1 0.800 0.020 . 2 . . . A 17 LEU HD13 . 25818 1 129 . 1 1 25 25 LEU HD21 H 1 0.800 0.020 . 2 . . . A 17 LEU HD21 . 25818 1 130 . 1 1 25 25 LEU HD22 H 1 0.800 0.020 . 2 . . . A 17 LEU HD22 . 25818 1 131 . 1 1 25 25 LEU HD23 H 1 0.800 0.020 . 2 . . . A 17 LEU HD23 . 25818 1 132 . 1 1 25 25 LEU C C 13 178.207 0.300 . 1 . . . A 17 LEU C . 25818 1 133 . 1 1 25 25 LEU CA C 13 58.861 0.300 . 1 . . . A 17 LEU CA . 25818 1 134 . 1 1 25 25 LEU CB C 13 41.613 0.300 . 1 . . . A 17 LEU CB . 25818 1 135 . 1 1 25 25 LEU N N 15 123.149 0.300 . 1 . . . A 17 LEU N . 25818 1 136 . 1 1 26 26 ILE H H 1 8.455 0.020 . 1 . . . A 18 ILE H . 25818 1 137 . 1 1 26 26 ILE HA H 1 3.562 0.020 . 1 . . . A 18 ILE HA . 25818 1 138 . 1 1 26 26 ILE HB H 1 1.830 0.020 . 1 . . . A 18 ILE HB . 25818 1 139 . 1 1 26 26 ILE HG12 H 1 0.986 0.020 . 2 . . . A 18 ILE HG12 . 25818 1 140 . 1 1 26 26 ILE HG13 H 1 1.279 0.020 . 2 . . . A 18 ILE HG13 . 25818 1 141 . 1 1 26 26 ILE HG21 H 1 0.787 0.020 . 2 . . . A 18 ILE HG21 . 25818 1 142 . 1 1 26 26 ILE HG22 H 1 0.787 0.020 . 2 . . . A 18 ILE HG22 . 25818 1 143 . 1 1 26 26 ILE HG23 H 1 0.787 0.020 . 2 . . . A 18 ILE HG23 . 25818 1 144 . 1 1 26 26 ILE HD11 H 1 0.734 0.020 . 2 . . . A 18 ILE HD11 . 25818 1 145 . 1 1 26 26 ILE HD12 H 1 0.734 0.020 . 2 . . . A 18 ILE HD12 . 25818 1 146 . 1 1 26 26 ILE HD13 H 1 0.734 0.020 . 2 . . . A 18 ILE HD13 . 25818 1 147 . 1 1 26 26 ILE C C 13 177.738 0.300 . 1 . . . A 18 ILE C . 25818 1 148 . 1 1 26 26 ILE CA C 13 64.569 0.300 . 1 . . . A 18 ILE CA . 25818 1 149 . 1 1 26 26 ILE CB C 13 36.512 0.300 . 1 . . . A 18 ILE CB . 25818 1 150 . 1 1 26 26 ILE N N 15 117.975 0.300 . 1 . . . A 18 ILE N . 25818 1 151 . 1 1 27 27 PHE H H 1 8.609 0.020 . 1 . . . A 19 PHE H . 25818 1 152 . 1 1 27 27 PHE HA H 1 4.069 0.020 . 1 . . . A 19 PHE HA . 25818 1 153 . 1 1 27 27 PHE HB2 H 1 3.107 0.020 . 2 . . . A 19 PHE HB2 . 25818 1 154 . 1 1 27 27 PHE HB3 H 1 3.107 0.020 . 2 . . . A 19 PHE HB3 . 25818 1 155 . 1 1 27 27 PHE C C 13 177.069 0.300 . 1 . . . A 19 PHE C . 25818 1 156 . 1 1 27 27 PHE CA C 13 61.951 0.300 . 1 . . . A 19 PHE CA . 25818 1 157 . 1 1 27 27 PHE CB C 13 39.118 0.300 . 1 . . . A 19 PHE CB . 25818 1 158 . 1 1 27 27 PHE N N 15 119.303 0.300 . 1 . . . A 19 PHE N . 25818 1 159 . 1 1 28 28 SER H H 1 8.571 0.020 . 1 . . . A 20 SER H . 25818 1 160 . 1 1 28 28 SER HA H 1 4.010 0.020 . 1 . . . A 20 SER HA . 25818 1 161 . 1 1 28 28 SER HB2 H 1 3.663 0.020 . 2 . . . A 20 SER HB2 . 25818 1 162 . 1 1 28 28 SER HB3 H 1 3.663 0.020 . 2 . . . A 20 SER HB3 . 25818 1 163 . 1 1 28 28 SER C C 13 176.951 0.300 . 1 . . . A 20 SER C . 25818 1 164 . 1 1 28 28 SER CA C 13 63.441 0.300 . 1 . . . A 20 SER CA . 25818 1 165 . 1 1 28 28 SER N N 15 114.834 0.300 . 1 . . . A 20 SER N . 25818 1 166 . 1 1 29 29 LEU H H 1 8.193 0.020 . 1 . . . A 21 LEU H . 25818 1 167 . 1 1 29 29 LEU HA H 1 4.052 0.020 . 1 . . . A 21 LEU HA . 25818 1 168 . 1 1 29 29 LEU HB2 H 1 1.991 0.020 . 2 . . . A 21 LEU HB2 . 25818 1 169 . 1 1 29 29 LEU HB3 H 1 1.883 0.020 . 2 . . . A 21 LEU HB3 . 25818 1 170 . 1 1 29 29 LEU HG H 1 1.445 0.020 . 1 . . . A 21 LEU HG . 25818 1 171 . 1 1 29 29 LEU HD11 H 1 0.787 0.020 . 2 . . . A 21 LEU HD11 . 25818 1 172 . 1 1 29 29 LEU HD12 H 1 0.787 0.020 . 2 . . . A 21 LEU HD12 . 25818 1 173 . 1 1 29 29 LEU HD13 H 1 0.787 0.020 . 2 . . . A 21 LEU HD13 . 25818 1 174 . 1 1 29 29 LEU HD21 H 1 0.787 0.020 . 2 . . . A 21 LEU HD21 . 25818 1 175 . 1 1 29 29 LEU HD22 H 1 0.787 0.020 . 2 . . . A 21 LEU HD22 . 25818 1 176 . 1 1 29 29 LEU HD23 H 1 0.787 0.020 . 2 . . . A 21 LEU HD23 . 25818 1 177 . 1 1 29 29 LEU C C 13 178.041 0.300 . 1 . . . A 21 LEU C . 25818 1 178 . 1 1 29 29 LEU CA C 13 58.331 0.300 . 1 . . . A 21 LEU CA . 25818 1 179 . 1 1 29 29 LEU CB C 13 41.771 0.300 . 1 . . . A 21 LEU CB . 25818 1 180 . 1 1 29 29 LEU N N 15 124.956 0.300 . 1 . . . A 21 LEU N . 25818 1 181 . 1 1 30 30 ILE H H 1 8.131 0.020 . 1 . . . A 22 ILE H . 25818 1 182 . 1 1 30 30 ILE HA H 1 3.602 0.020 . 1 . . . A 22 ILE HA . 25818 1 183 . 1 1 30 30 ILE HB H 1 1.930 0.020 . 1 . . . A 22 ILE HB . 25818 1 184 . 1 1 30 30 ILE HG21 H 1 0.740 0.020 . 2 . . . A 22 ILE HG21 . 25818 1 185 . 1 1 30 30 ILE HG22 H 1 0.740 0.020 . 2 . . . A 22 ILE HG22 . 25818 1 186 . 1 1 30 30 ILE HG23 H 1 0.740 0.020 . 2 . . . A 22 ILE HG23 . 25818 1 187 . 1 1 30 30 ILE HD11 H 1 0.585 0.020 . 2 . . . A 22 ILE HD11 . 25818 1 188 . 1 1 30 30 ILE HD12 H 1 0.585 0.020 . 2 . . . A 22 ILE HD12 . 25818 1 189 . 1 1 30 30 ILE HD13 H 1 0.585 0.020 . 2 . . . A 22 ILE HD13 . 25818 1 190 . 1 1 30 30 ILE C C 13 178.539 0.300 . 1 . . . A 22 ILE C . 25818 1 191 . 1 1 30 30 ILE CA C 13 65.963 0.300 . 1 . . . A 22 ILE CA . 25818 1 192 . 1 1 30 30 ILE CB C 13 37.864 0.300 . 1 . . . A 22 ILE CB . 25818 1 193 . 1 1 30 30 ILE N N 15 119.365 0.300 . 1 . . . A 22 ILE N . 25818 1 194 . 1 1 31 31 VAL H H 1 8.440 0.020 . 1 . . . A 23 VAL H . 25818 1 195 . 1 1 31 31 VAL HA H 1 3.342 0.020 . 1 . . . A 23 VAL HA . 25818 1 196 . 1 1 31 31 VAL HB H 1 1.927 0.020 . 1 . . . A 23 VAL HB . 25818 1 197 . 1 1 31 31 VAL HG11 H 1 0.593 0.020 . 2 . . . A 23 VAL HG11 . 25818 1 198 . 1 1 31 31 VAL HG12 H 1 0.593 0.020 . 2 . . . A 23 VAL HG12 . 25818 1 199 . 1 1 31 31 VAL HG13 H 1 0.593 0.020 . 2 . . . A 23 VAL HG13 . 25818 1 200 . 1 1 31 31 VAL HG21 H 1 0.789 0.020 . 2 . . . A 23 VAL HG21 . 25818 1 201 . 1 1 31 31 VAL HG22 H 1 0.789 0.020 . 2 . . . A 23 VAL HG22 . 25818 1 202 . 1 1 31 31 VAL HG23 H 1 0.789 0.020 . 2 . . . A 23 VAL HG23 . 25818 1 203 . 1 1 31 31 VAL C C 13 177.330 0.300 . 1 . . . A 23 VAL C . 25818 1 204 . 1 1 31 31 VAL CA C 13 67.683 0.300 . 1 . . . A 23 VAL CA . 25818 1 205 . 1 1 31 31 VAL CB C 13 31.371 0.300 . 1 . . . A 23 VAL CB . 25818 1 206 . 1 1 31 31 VAL N N 15 119.397 0.300 . 1 . . . A 23 VAL N . 25818 1 207 . 1 1 32 32 THR H H 1 7.969 0.020 . 1 . . . A 24 THR H . 25818 1 208 . 1 1 32 32 THR HA H 1 4.172 0.020 . 1 . . . A 24 THR HA . 25818 1 209 . 1 1 32 32 THR HB H 1 3.657 0.020 . 1 . . . A 24 THR HB . 25818 1 210 . 1 1 32 32 THR HG21 H 1 1.097 0.020 . 1 . . . A 24 THR HG21 . 25818 1 211 . 1 1 32 32 THR HG22 H 1 1.097 0.020 . 1 . . . A 24 THR HG22 . 25818 1 212 . 1 1 32 32 THR HG23 H 1 1.097 0.020 . 1 . . . A 24 THR HG23 . 25818 1 213 . 1 1 32 32 THR C C 13 176.382 0.300 . 1 . . . A 24 THR C . 25818 1 214 . 1 1 32 32 THR CA C 13 68.010 0.300 . 1 . . . A 24 THR CA . 25818 1 215 . 1 1 32 32 THR N N 15 114.854 0.300 . 1 . . . A 24 THR N . 25818 1 216 . 1 1 33 33 TYR H H 1 8.364 0.020 . 1 . . . A 25 TYR H . 25818 1 217 . 1 1 33 33 TYR HA H 1 4.010 0.020 . 1 . . . A 25 TYR HA . 25818 1 218 . 1 1 33 33 TYR HB2 H 1 3.248 0.020 . 2 . . . A 25 TYR HB2 . 25818 1 219 . 1 1 33 33 TYR HB3 H 1 3.027 0.020 . 2 . . . A 25 TYR HB3 . 25818 1 220 . 1 1 33 33 TYR C C 13 177.425 0.300 . 1 . . . A 25 TYR C . 25818 1 221 . 1 1 33 33 TYR CA C 13 62.436 0.300 . 1 . . . A 25 TYR CA . 25818 1 222 . 1 1 33 33 TYR CB C 13 38.766 0.300 . 1 . . . A 25 TYR CB . 25818 1 223 . 1 1 33 33 TYR N N 15 121.421 0.300 . 1 . . . A 25 TYR N . 25818 1 224 . 1 1 34 34 CYS H H 1 8.323 0.020 . 1 . . . A 26 CYS H . 25818 1 225 . 1 1 34 34 CYS HA H 1 3.939 0.020 . 1 . . . A 26 CYS HA . 25818 1 226 . 1 1 34 34 CYS HB2 H 1 3.087 0.020 . 2 . . . A 26 CYS HB2 . 25818 1 227 . 1 1 34 34 CYS HB3 H 1 2.666 0.020 . 2 . . . A 26 CYS HB3 . 25818 1 228 . 1 1 34 34 CYS C C 13 176.335 0.300 . 1 . . . A 26 CYS C . 25818 1 229 . 1 1 34 34 CYS CA C 13 64.243 0.300 . 1 . . . A 26 CYS CA . 25818 1 230 . 1 1 34 34 CYS CB C 13 27.470 0.300 . 1 . . . A 26 CYS CB . 25818 1 231 . 1 1 34 34 CYS N N 15 116.170 0.300 . 1 . . . A 26 CYS N . 25818 1 232 . 1 1 35 35 ILE H H 1 8.259 0.020 . 1 . . . A 27 ILE H . 25818 1 233 . 1 1 35 35 ILE HA H 1 3.796 0.020 . 1 . . . A 27 ILE HA . 25818 1 234 . 1 1 35 35 ILE HB H 1 1.921 0.020 . 1 . . . A 27 ILE HB . 25818 1 235 . 1 1 35 35 ILE HG12 H 1 1.148 0.020 . 2 . . . A 27 ILE HG12 . 25818 1 236 . 1 1 35 35 ILE HG13 H 1 1.640 0.020 . 2 . . . A 27 ILE HG13 . 25818 1 237 . 1 1 35 35 ILE HG21 H 1 0.877 0.020 . 2 . . . A 27 ILE HG21 . 25818 1 238 . 1 1 35 35 ILE HG22 H 1 0.877 0.020 . 2 . . . A 27 ILE HG22 . 25818 1 239 . 1 1 35 35 ILE HG23 H 1 0.877 0.020 . 2 . . . A 27 ILE HG23 . 25818 1 240 . 1 1 35 35 ILE HD11 H 1 0.763 0.020 . 2 . . . A 27 ILE HD11 . 25818 1 241 . 1 1 35 35 ILE HD12 H 1 0.763 0.020 . 2 . . . A 27 ILE HD12 . 25818 1 242 . 1 1 35 35 ILE HD13 H 1 0.763 0.020 . 2 . . . A 27 ILE HD13 . 25818 1 243 . 1 1 35 35 ILE C C 13 176.737 0.300 . 1 . . . A 27 ILE C . 25818 1 244 . 1 1 35 35 ILE CA C 13 64.107 0.300 . 1 . . . A 27 ILE CA . 25818 1 245 . 1 1 35 35 ILE CB C 13 37.875 0.300 . 1 . . . A 27 ILE CB . 25818 1 246 . 1 1 35 35 ILE N N 15 116.693 0.300 . 1 . . . A 27 ILE N . 25818 1 247 . 1 1 36 36 ASN H H 1 7.853 0.020 . 1 . . . A 28 ASN H . 25818 1 248 . 1 1 36 36 ASN HA H 1 4.429 0.020 . 1 . . . A 28 ASN HA . 25818 1 249 . 1 1 36 36 ASN HB2 H 1 2.670 0.020 . 2 . . . A 28 ASN HB2 . 25818 1 250 . 1 1 36 36 ASN HB3 H 1 2.572 0.020 . 2 . . . A 28 ASN HB3 . 25818 1 251 . 1 1 36 36 ASN HD21 H 1 6.735 0.020 . 2 . . . A 28 ASN HD21 . 25818 1 252 . 1 1 36 36 ASN HD22 H 1 7.571 0.020 . 2 . . . A 28 ASN HD22 . 25818 1 253 . 1 1 36 36 ASN C C 13 175.766 0.300 . 1 . . . A 28 ASN C . 25818 1 254 . 1 1 36 36 ASN CA C 13 55.852 0.300 . 1 . . . A 28 ASN CA . 25818 1 255 . 1 1 36 36 ASN CB C 13 39.764 0.300 . 1 . . . A 28 ASN CB . 25818 1 256 . 1 1 36 36 ASN N N 15 117.531 0.300 . 1 . . . A 28 ASN N . 25818 1 257 . 1 1 36 36 ASN ND2 N 15 111.960 0.300 . 1 . . . A 28 ASN ND2 . 25818 1 258 . 1 1 37 37 ALA H H 1 8.050 0.020 . 1 . . . A 29 ALA H . 25818 1 259 . 1 1 37 37 ALA HA H 1 4.118 0.020 . 1 . . . A 29 ALA HA . 25818 1 260 . 1 1 37 37 ALA HB1 H 1 1.163 0.020 . 1 . . . A 29 ALA HB1 . 25818 1 261 . 1 1 37 37 ALA HB2 H 1 1.163 0.020 . 1 . . . A 29 ALA HB2 . 25818 1 262 . 1 1 37 37 ALA HB3 H 1 1.163 0.020 . 1 . . . A 29 ALA HB3 . 25818 1 263 . 1 1 37 37 ALA C C 13 177.638 0.300 . 1 . . . A 29 ALA C . 25818 1 264 . 1 1 37 37 ALA CA C 13 53.303 0.300 . 1 . . . A 29 ALA CA . 25818 1 265 . 1 1 37 37 ALA CB C 13 18.985 0.300 . 1 . . . A 29 ALA CB . 25818 1 266 . 1 1 37 37 ALA N N 15 120.505 0.300 . 1 . . . A 29 ALA N . 25818 1 267 . 1 1 38 38 LYS H H 1 7.771 0.020 . 1 . . . A 30 LYS H . 25818 1 268 . 1 1 38 38 LYS HA H 1 4.327 0.020 . 1 . . . A 30 LYS HA . 25818 1 269 . 1 1 38 38 LYS HB2 H 1 1.931 0.020 . 2 . . . A 30 LYS HB2 . 25818 1 270 . 1 1 38 38 LYS HB3 H 1 1.774 0.020 . 2 . . . A 30 LYS HB3 . 25818 1 271 . 1 1 38 38 LYS C C 13 176.192 0.300 . 1 . . . A 30 LYS C . 25818 1 272 . 1 1 38 38 LYS CA C 13 55.493 0.300 . 1 . . . A 30 LYS CA . 25818 1 273 . 1 1 38 38 LYS CB C 13 31.831 0.300 . 1 . . . A 30 LYS CB . 25818 1 274 . 1 1 38 38 LYS N N 15 116.476 0.300 . 1 . . . A 30 LYS N . 25818 1 275 . 1 1 39 39 ALA H H 1 7.924 0.020 . 1 . . . A 31 ALA H . 25818 1 276 . 1 1 39 39 ALA HA H 1 4.129 0.020 . 1 . . . A 31 ALA HA . 25818 1 277 . 1 1 39 39 ALA HB1 H 1 1.426 0.020 . 1 . . . A 31 ALA HB1 . 25818 1 278 . 1 1 39 39 ALA HB2 H 1 1.426 0.020 . 1 . . . A 31 ALA HB2 . 25818 1 279 . 1 1 39 39 ALA HB3 H 1 1.426 0.020 . 1 . . . A 31 ALA HB3 . 25818 1 280 . 1 1 39 39 ALA C C 13 177.401 0.300 . 1 . . . A 31 ALA C . 25818 1 281 . 1 1 39 39 ALA CA C 13 53.738 0.300 . 1 . . . A 31 ALA CA . 25818 1 282 . 1 1 39 39 ALA CB C 13 19.262 0.300 . 1 . . . A 31 ALA CB . 25818 1 283 . 1 1 39 39 ALA N N 15 122.457 0.300 . 1 . . . A 31 ALA N . 25818 1 284 . 1 1 40 40 ASP H H 1 8.401 0.020 . 1 . . . A 32 ASP H . 25818 1 285 . 1 1 40 40 ASP HA H 1 4.425 0.020 . 1 . . . A 32 ASP HA . 25818 1 286 . 1 1 40 40 ASP HB2 H 1 2.665 0.020 . 2 . . . A 32 ASP HB2 . 25818 1 287 . 1 1 40 40 ASP HB3 H 1 2.596 0.020 . 2 . . . A 32 ASP HB3 . 25818 1 288 . 1 1 40 40 ASP C C 13 176.690 0.300 . 1 . . . A 32 ASP C . 25818 1 289 . 1 1 40 40 ASP CA C 13 55.303 0.300 . 1 . . . A 32 ASP CA . 25818 1 290 . 1 1 40 40 ASP CB C 13 40.220 0.300 . 1 . . . A 32 ASP CB . 25818 1 291 . 1 1 40 40 ASP N N 15 116.883 0.300 . 1 . . . A 32 ASP N . 25818 1 292 . 1 1 41 41 VAL H H 1 7.665 0.020 . 1 . . . A 33 VAL H . 25818 1 293 . 1 1 41 41 VAL HA H 1 4.082 0.020 . 1 . . . A 33 VAL HA . 25818 1 294 . 1 1 41 41 VAL HB H 1 2.142 0.020 . 1 . . . A 33 VAL HB . 25818 1 295 . 1 1 41 41 VAL HG11 H 1 0.906 0.020 . 2 . . . A 33 VAL HG11 . 25818 1 296 . 1 1 41 41 VAL HG12 H 1 0.906 0.020 . 2 . . . A 33 VAL HG12 . 25818 1 297 . 1 1 41 41 VAL HG13 H 1 0.906 0.020 . 2 . . . A 33 VAL HG13 . 25818 1 298 . 1 1 41 41 VAL HG21 H 1 0.906 0.020 . 2 . . . A 33 VAL HG21 . 25818 1 299 . 1 1 41 41 VAL HG22 H 1 0.906 0.020 . 2 . . . A 33 VAL HG22 . 25818 1 300 . 1 1 41 41 VAL HG23 H 1 0.906 0.020 . 2 . . . A 33 VAL HG23 . 25818 1 301 . 1 1 41 41 VAL C C 13 175.552 0.300 . 1 . . . A 33 VAL C . 25818 1 302 . 1 1 41 41 VAL CA C 13 62.761 0.300 . 1 . . . A 33 VAL CA . 25818 1 303 . 1 1 41 41 VAL CB C 13 32.406 0.300 . 1 . . . A 33 VAL CB . 25818 1 304 . 1 1 41 41 VAL N N 15 116.175 0.300 . 1 . . . A 33 VAL N . 25818 1 305 . 1 1 42 42 LEU H H 1 7.795 0.020 . 1 . . . A 34 LEU H . 25818 1 306 . 1 1 42 42 LEU HA H 1 4.140 0.020 . 1 . . . A 34 LEU HA . 25818 1 307 . 1 1 42 42 LEU HB2 H 1 1.222 0.020 . 2 . . . A 34 LEU HB2 . 25818 1 308 . 1 1 42 42 LEU HB3 H 1 1.463 0.020 . 2 . . . A 34 LEU HB3 . 25818 1 309 . 1 1 42 42 LEU HD11 H 1 0.778 0.020 . 2 . . . A 34 LEU HD11 . 25818 1 310 . 1 1 42 42 LEU HD12 H 1 0.778 0.020 . 2 . . . A 34 LEU HD12 . 25818 1 311 . 1 1 42 42 LEU HD13 H 1 0.778 0.020 . 2 . . . A 34 LEU HD13 . 25818 1 312 . 1 1 42 42 LEU HD21 H 1 0.893 0.020 . 2 . . . A 34 LEU HD21 . 25818 1 313 . 1 1 42 42 LEU HD22 H 1 0.893 0.020 . 2 . . . A 34 LEU HD22 . 25818 1 314 . 1 1 42 42 LEU HD23 H 1 0.893 0.020 . 2 . . . A 34 LEU HD23 . 25818 1 315 . 1 1 42 42 LEU C C 13 176.382 0.300 . 1 . . . A 34 LEU C . 25818 1 316 . 1 1 42 42 LEU CA C 13 55.664 0.300 . 1 . . . A 34 LEU CA . 25818 1 317 . 1 1 42 42 LEU CB C 13 42.486 0.300 . 1 . . . A 34 LEU CB . 25818 1 318 . 1 1 42 42 LEU N N 15 120.012 0.300 . 1 . . . A 34 LEU N . 25818 1 319 . 1 1 43 43 PHE H H 1 7.793 0.020 . 1 . . . A 35 PHE H . 25818 1 320 . 1 1 43 43 PHE HA H 1 4.595 0.020 . 1 . . . A 35 PHE HA . 25818 1 321 . 1 1 43 43 PHE HB2 H 1 3.158 0.020 . 2 . . . A 35 PHE HB2 . 25818 1 322 . 1 1 43 43 PHE HB3 H 1 3.030 0.020 . 2 . . . A 35 PHE HB3 . 25818 1 323 . 1 1 43 43 PHE HD1 H 1 7.253 0.020 . 3 . . . A 35 PHE HD1 . 25818 1 324 . 1 1 43 43 PHE HD2 H 1 7.253 0.020 . 3 . . . A 35 PHE HD2 . 25818 1 325 . 1 1 43 43 PHE C C 13 174.960 0.300 . 1 . . . A 35 PHE C . 25818 1 326 . 1 1 43 43 PHE CA C 13 57.734 0.300 . 1 . . . A 35 PHE CA . 25818 1 327 . 1 1 43 43 PHE CB C 13 39.289 0.300 . 1 . . . A 35 PHE CB . 25818 1 328 . 1 1 43 43 PHE N N 15 116.572 0.300 . 1 . . . A 35 PHE N . 25818 1 329 . 1 1 44 44 ILE H H 1 7.686 0.020 . 1 . . . A 36 ILE H . 25818 1 330 . 1 1 44 44 ILE HA H 1 4.108 0.020 . 1 . . . A 36 ILE HA . 25818 1 331 . 1 1 44 44 ILE HB H 1 1.806 0.020 . 1 . . . A 36 ILE HB . 25818 1 332 . 1 1 44 44 ILE HG12 H 1 1.388 0.020 . 2 . . . A 36 ILE HG12 . 25818 1 333 . 1 1 44 44 ILE HG13 H 1 1.094 0.020 . 2 . . . A 36 ILE HG13 . 25818 1 334 . 1 1 44 44 ILE HD11 H 1 0.827 0.020 . 2 . . . A 36 ILE HD11 . 25818 1 335 . 1 1 44 44 ILE HD12 H 1 0.827 0.020 . 2 . . . A 36 ILE HD12 . 25818 1 336 . 1 1 44 44 ILE HD13 H 1 0.827 0.020 . 2 . . . A 36 ILE HD13 . 25818 1 337 . 1 1 44 44 ILE C C 13 174.975 0.300 . 1 . . . A 36 ILE C . 25818 1 338 . 1 1 44 44 ILE CA C 13 60.863 0.300 . 1 . . . A 36 ILE CA . 25818 1 339 . 1 1 44 44 ILE CB C 13 39.010 0.300 . 1 . . . A 36 ILE CB . 25818 1 340 . 1 1 44 44 ILE N N 15 119.136 0.300 . 1 . . . A 36 ILE N . 25818 1 341 . 1 1 45 45 ALA H H 1 8.169 0.020 . 1 . . . A 37 ALA H . 25818 1 342 . 1 1 45 45 ALA HA H 1 4.513 0.020 . 1 . . . A 37 ALA HA . 25818 1 343 . 1 1 45 45 ALA HB1 H 1 1.315 0.020 . 1 . . . A 37 ALA HB1 . 25818 1 344 . 1 1 45 45 ALA HB2 H 1 1.315 0.020 . 1 . . . A 37 ALA HB2 . 25818 1 345 . 1 1 45 45 ALA HB3 H 1 1.315 0.020 . 1 . . . A 37 ALA HB3 . 25818 1 346 . 1 1 45 45 ALA CA C 13 50.437 0.300 . 1 . . . A 37 ALA CA . 25818 1 347 . 1 1 45 45 ALA CB C 13 18.317 0.300 . 1 . . . A 37 ALA CB . 25818 1 348 . 1 1 45 45 ALA N N 15 127.555 0.300 . 1 . . . A 37 ALA N . 25818 1 349 . 1 1 46 46 PRO HA H 1 4.385 0.020 . 1 . . . A 38 PRO HA . 25818 1 350 . 1 1 46 46 PRO HB2 H 1 2.242 0.020 . 2 . . . A 38 PRO HB2 . 25818 1 351 . 1 1 46 46 PRO HB3 H 1 1.841 0.020 . 2 . . . A 38 PRO HB3 . 25818 1 352 . 1 1 46 46 PRO C C 13 176.643 0.300 . 1 . . . A 38 PRO C . 25818 1 353 . 1 1 46 46 PRO CA C 13 62.998 0.300 . 1 . . . A 38 PRO CA . 25818 1 354 . 1 1 46 46 PRO CB C 13 31.849 0.300 . 1 . . . A 38 PRO CB . 25818 1 355 . 1 1 47 47 ARG H H 1 8.311 0.020 . 1 . . . A 39 ARG H . 25818 1 356 . 1 1 47 47 ARG HA H 1 4.277 0.020 . 1 . . . A 39 ARG HA . 25818 1 357 . 1 1 47 47 ARG HB2 H 1 1.709 0.020 . 2 . . . A 39 ARG HB2 . 25818 1 358 . 1 1 47 47 ARG HB3 H 1 1.709 0.020 . 2 . . . A 39 ARG HB3 . 25818 1 359 . 1 1 47 47 ARG HG2 H 1 1.627 0.020 . 2 . . . A 39 ARG HG2 . 25818 1 360 . 1 1 47 47 ARG HG3 H 1 1.627 0.020 . 2 . . . A 39 ARG HG3 . 25818 1 361 . 1 1 47 47 ARG C C 13 176.026 0.300 . 1 . . . A 39 ARG C . 25818 1 362 . 1 1 47 47 ARG CA C 13 55.808 0.300 . 1 . . . A 39 ARG CA . 25818 1 363 . 1 1 47 47 ARG CB C 13 31.178 0.300 . 1 . . . A 39 ARG CB . 25818 1 364 . 1 1 47 47 ARG N N 15 121.037 0.300 . 1 . . . A 39 ARG N . 25818 1 365 . 1 1 48 48 GLU H H 1 8.346 0.020 . 1 . . . A 40 GLU H . 25818 1 366 . 1 1 48 48 GLU HA H 1 4.284 0.020 . 1 . . . A 40 GLU HA . 25818 1 367 . 1 1 48 48 GLU HB2 H 1 1.849 0.020 . 2 . . . A 40 GLU HB2 . 25818 1 368 . 1 1 48 48 GLU HB3 H 1 1.849 0.020 . 2 . . . A 40 GLU HB3 . 25818 1 369 . 1 1 48 48 GLU HG2 H 1 2.223 0.020 . 2 . . . A 40 GLU HG2 . 25818 1 370 . 1 1 48 48 GLU HG3 H 1 2.010 0.020 . 2 . . . A 40 GLU HG3 . 25818 1 371 . 1 1 48 48 GLU CA C 13 54.336 0.300 . 1 . . . A 40 GLU CA . 25818 1 372 . 1 1 48 48 GLU CB C 13 29.606 0.300 . 1 . . . A 40 GLU CB . 25818 1 373 . 1 1 48 48 GLU N N 15 122.834 0.300 . 1 . . . A 40 GLU N . 25818 1 374 . 1 1 49 49 PRO HA H 1 4.332 0.020 . 1 . . . A 41 PRO HA . 25818 1 375 . 1 1 49 49 PRO HB2 H 1 2.252 0.020 . 2 . . . A 41 PRO HB2 . 25818 1 376 . 1 1 49 49 PRO HB3 H 1 1.916 0.020 . 2 . . . A 41 PRO HB3 . 25818 1 377 . 1 1 49 49 PRO C C 13 177.496 0.300 . 1 . . . A 41 PRO C . 25818 1 378 . 1 1 49 49 PRO CA C 13 63.793 0.300 . 1 . . . A 41 PRO CA . 25818 1 379 . 1 1 49 49 PRO CB C 13 31.794 0.300 . 1 . . . A 41 PRO CB . 25818 1 380 . 1 1 50 50 GLY H H 1 8.412 0.020 . 1 . . . A 42 GLY H . 25818 1 381 . 1 1 50 50 GLY HA2 H 1 3.896 0.020 . 2 . . . A 42 GLY HA2 . 25818 1 382 . 1 1 50 50 GLY HA3 H 1 3.896 0.020 . 2 . . . A 42 GLY HA3 . 25818 1 383 . 1 1 50 50 GLY C C 13 173.808 0.300 . 1 . . . A 42 GLY C . 25818 1 384 . 1 1 50 50 GLY CA C 13 45.233 0.300 . 1 . . . A 42 GLY CA . 25818 1 385 . 1 1 50 50 GLY N N 15 108.890 0.300 . 1 . . . A 42 GLY N . 25818 1 386 . 1 1 51 51 ALA H H 1 7.929 0.020 . 1 . . . A 43 ALA H . 25818 1 387 . 1 1 51 51 ALA HA H 1 4.297 0.020 . 1 . . . A 43 ALA HA . 25818 1 388 . 1 1 51 51 ALA HB1 H 1 1.339 0.020 . 1 . . . A 43 ALA HB1 . 25818 1 389 . 1 1 51 51 ALA HB2 H 1 1.339 0.020 . 1 . . . A 43 ALA HB2 . 25818 1 390 . 1 1 51 51 ALA HB3 H 1 1.339 0.020 . 1 . . . A 43 ALA HB3 . 25818 1 391 . 1 1 51 51 ALA C C 13 177.567 0.300 . 1 . . . A 43 ALA C . 25818 1 392 . 1 1 51 51 ALA CA C 13 52.486 0.300 . 1 . . . A 43 ALA CA . 25818 1 393 . 1 1 51 51 ALA CB C 13 19.425 0.300 . 1 . . . A 43 ALA CB . 25818 1 394 . 1 1 51 51 ALA N N 15 123.534 0.300 . 1 . . . A 43 ALA N . 25818 1 395 . 1 1 52 52 VAL H H 1 7.985 0.020 . 1 . . . A 44 VAL H . 25818 1 396 . 1 1 52 52 VAL HA H 1 4.118 0.020 . 1 . . . A 44 VAL HA . 25818 1 397 . 1 1 52 52 VAL HB H 1 1.971 0.020 . 1 . . . A 44 VAL HB . 25818 1 398 . 1 1 52 52 VAL HG11 H 1 0.584 0.020 . 2 . . . A 44 VAL HG11 . 25818 1 399 . 1 1 52 52 VAL HG12 H 1 0.584 0.020 . 2 . . . A 44 VAL HG12 . 25818 1 400 . 1 1 52 52 VAL HG13 H 1 0.584 0.020 . 2 . . . A 44 VAL HG13 . 25818 1 401 . 1 1 52 52 VAL HG21 H 1 0.824 0.020 . 2 . . . A 44 VAL HG21 . 25818 1 402 . 1 1 52 52 VAL HG22 H 1 0.824 0.020 . 2 . . . A 44 VAL HG22 . 25818 1 403 . 1 1 52 52 VAL HG23 H 1 0.824 0.020 . 2 . . . A 44 VAL HG23 . 25818 1 404 . 1 1 52 52 VAL C C 13 175.647 0.300 . 1 . . . A 44 VAL C . 25818 1 405 . 1 1 52 52 VAL CA C 13 62.060 0.300 . 1 . . . A 44 VAL CA . 25818 1 406 . 1 1 52 52 VAL CB C 13 32.901 0.300 . 1 . . . A 44 VAL CB . 25818 1 407 . 1 1 52 52 VAL N N 15 118.351 0.300 . 1 . . . A 44 VAL N . 25818 1 408 . 1 1 53 53 SER H H 1 8.081 0.020 . 1 . . . A 45 SER H . 25818 1 409 . 1 1 53 53 SER HA H 1 4.394 0.020 . 1 . . . A 45 SER HA . 25818 1 410 . 1 1 53 53 SER HB2 H 1 3.753 0.020 . 2 . . . A 45 SER HB2 . 25818 1 411 . 1 1 53 53 SER HB3 H 1 3.753 0.020 . 2 . . . A 45 SER HB3 . 25818 1 412 . 1 1 53 53 SER C C 13 172.840 0.300 . 1 . . . A 45 SER C . 25818 1 413 . 1 1 53 53 SER CA C 13 57.993 0.300 . 1 . . . A 45 SER CA . 25818 1 414 . 1 1 53 53 SER CB C 13 64.261 0.300 . 1 . . . A 45 SER CB . 25818 1 415 . 1 1 53 53 SER N N 15 119.089 0.300 . 1 . . . A 45 SER N . 25818 1 416 . 1 1 54 54 TYR H H 1 7.628 0.020 . 1 . . . A 46 TYR H . 25818 1 417 . 1 1 54 54 TYR CA C 13 59.319 0.300 . 1 . . . A 46 TYR CA . 25818 1 418 . 1 1 54 54 TYR CB C 13 39.456 0.300 . 1 . . . A 46 TYR CB . 25818 1 419 . 1 1 54 54 TYR N N 15 126.703 0.300 . 1 . . . A 46 TYR N . 25818 1 stop_ save_