data_36220 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36220 _Entry.Title ; Solution structure of the N-terminal domain of the anti-sigma factor RsgI1 from Clostridium thermocellum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-12-04 _Entry.Accession_date 2019-05-13 _Entry.Last_release_date 2019-05-13 _Entry.Original_release_date 2019-05-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 36220 stop_ 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 Z. Wei Z. . . . 36220 2 Y. Feng Y. . . . 36220 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TRANSCRIPTION . 36220 'anti-sigma factor' . 36220 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36220 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 243 36220 '15N chemical shifts' 62 36220 '1H chemical shifts' 403 36220 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 . . 2020-09-19 . original BMRB . 36220 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 36221 'Solution structure of the Sigma-anti-sigma factor complex RsgI1N-SigI1C from Clostridium thermocellum' 36220 PDB 6IVS . 36220 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36220 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31106374 _Citation.DOI 10.1093/nar/gkz355 _Citation.Full_citation . _Citation.Title ; Alternative sigma I/anti-sigma I factors represent a unique form of bacterial sigma/anti-sigma complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic Acids Research' _Citation.Journal_volume 47 _Citation.Journal_issue 11 _Citation.Journal_ASTM NARHAD _Citation.Journal_ISSN 1362-4962 _Citation.Journal_CSD 0389 _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 5988 _Citation.Page_last 5997 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Z. Wei Z. . . . 36220 1 2 C. Chen C. . . . 36220 1 3 Y. Liu Y. J. . . 36220 1 4 S. Dong S. . . . 36220 1 5 J. Li J. . . . 36220 1 6 K. Qi K. . . . 36220 1 7 S. Liu S. . . . 36220 1 8 X. Ding X. . . . 36220 1 9 L. Ora L. O. . . 36220 1 10 I. Munoz-Gutierrez I. . . . 36220 1 11 Y. Li Y. . . . 36220 1 12 H. Yao H. . . . 36220 1 13 R. Lamed R. . . . 36220 1 14 E. Bayer E. A. . . 36220 1 15 Q. Cui Q. . . . 36220 1 16 Y. Feng Y. . . . 36220 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36220 _Assembly.ID 1 _Assembly.Name 'Anti-sigma-I factor RsgI1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 36220 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36220 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; SMNRLGIIYEIQGMKAVVLT SEGEFLIIRRRKDMKVGQQV SFENEDIYNVRGK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 53 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6170.172 _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 . SER . 36220 1 2 1 MET . 36220 1 3 2 ASN . 36220 1 4 3 ARG . 36220 1 5 4 LEU . 36220 1 6 5 GLY . 36220 1 7 6 ILE . 36220 1 8 7 ILE . 36220 1 9 8 TYR . 36220 1 10 9 GLU . 36220 1 11 10 ILE . 36220 1 12 11 GLN . 36220 1 13 12 GLY . 36220 1 14 13 MET . 36220 1 15 14 LYS . 36220 1 16 15 ALA . 36220 1 17 16 VAL . 36220 1 18 17 VAL . 36220 1 19 18 LEU . 36220 1 20 19 THR . 36220 1 21 20 SER . 36220 1 22 21 GLU . 36220 1 23 22 GLY . 36220 1 24 23 GLU . 36220 1 25 24 PHE . 36220 1 26 25 LEU . 36220 1 27 26 ILE . 36220 1 28 27 ILE . 36220 1 29 28 ARG . 36220 1 30 29 ARG . 36220 1 31 30 ARG . 36220 1 32 31 LYS . 36220 1 33 32 ASP . 36220 1 34 33 MET . 36220 1 35 34 LYS . 36220 1 36 35 VAL . 36220 1 37 36 GLY . 36220 1 38 37 GLN . 36220 1 39 38 GLN . 36220 1 40 39 VAL . 36220 1 41 40 SER . 36220 1 42 41 PHE . 36220 1 43 42 GLU . 36220 1 44 43 ASN . 36220 1 45 44 GLU . 36220 1 46 45 ASP . 36220 1 47 46 ILE . 36220 1 48 47 TYR . 36220 1 49 48 ASN . 36220 1 50 49 VAL . 36220 1 51 50 ARG . 36220 1 52 51 GLY . 36220 1 53 52 LYS . 36220 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 36220 1 . MET 2 2 36220 1 . ASN 3 3 36220 1 . ARG 4 4 36220 1 . LEU 5 5 36220 1 . GLY 6 6 36220 1 . ILE 7 7 36220 1 . ILE 8 8 36220 1 . TYR 9 9 36220 1 . GLU 10 10 36220 1 . ILE 11 11 36220 1 . GLN 12 12 36220 1 . GLY 13 13 36220 1 . MET 14 14 36220 1 . LYS 15 15 36220 1 . ALA 16 16 36220 1 . VAL 17 17 36220 1 . VAL 18 18 36220 1 . LEU 19 19 36220 1 . THR 20 20 36220 1 . SER 21 21 36220 1 . GLU 22 22 36220 1 . GLY 23 23 36220 1 . GLU 24 24 36220 1 . PHE 25 25 36220 1 . LEU 26 26 36220 1 . ILE 27 27 36220 1 . ILE 28 28 36220 1 . ARG 29 29 36220 1 . ARG 30 30 36220 1 . ARG 31 31 36220 1 . LYS 32 32 36220 1 . ASP 33 33 36220 1 . MET 34 34 36220 1 . LYS 35 35 36220 1 . VAL 36 36 36220 1 . GLY 37 37 36220 1 . GLN 38 38 36220 1 . GLN 39 39 36220 1 . VAL 40 40 36220 1 . SER 41 41 36220 1 . PHE 42 42 36220 1 . GLU 43 43 36220 1 . ASN 44 44 36220 1 . GLU 45 45 36220 1 . ASP 46 46 36220 1 . ILE 47 47 36220 1 . TYR 48 48 36220 1 . ASN 49 49 36220 1 . VAL 50 50 36220 1 . ARG 51 51 36220 1 . GLY 52 52 36220 1 . LYS 53 53 36220 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 36220 _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 $entity_1 . 203119 organism . 'Hungateiclostridium thermocellum ATCC 27405' 'Ruminiclostridium thermocellum' . . Bacteria . Hungateiclostridium 'Hungateiclostridium thermocellum' 'ATCC 27405' . . . . . . 27405 . . . Cthe_0059 . 36220 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 36220 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 36220 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36220 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM [U-13C; U-15N] RsgI1 N-terminal domain, 20 mM Bis-Tris, 50 mM sodium chloride, 2 mM EDTA, 90% H2O/10% D2O' _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 'RsgI1 N-terminal domain' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 1.0 . . mM . . . . 36220 1 2 Bis-Tris 'natural abundance' . . . . . buffer 20 . . mM . . . . 36220 1 3 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 36220 1 4 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36220 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36220 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36220 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 36220 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 50 . mM 36220 1 pH 6.2 . pH 36220 1 pressure 1 . atm 36220 1 temperature 298 . K 36220 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36220 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 36220 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 36220 1 . 'structure calculation' 36220 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36220 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 36220 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 36220 2 . 'peak picking' 36220 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36220 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 36220 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . 36220 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 36220 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36220 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36220 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36220 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36220 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36220 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36220 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36220 1 8 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36220 1 9 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36220 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36220 1 11 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36220 1 12 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36220 1 13 '3D CCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36220 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36220 1 15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36220 1 16 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36220 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36220 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 internal indirect 0.251449530 . . . . . 36220 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36220 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36220 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36220 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36220 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36220 1 3 '3D HNCO' 1 $sample_1 isotropic 36220 1 4 '3D HNCACB' 1 $sample_1 isotropic 36220 1 5 '3D HBHA(CO)NH' 1 $sample_1 isotropic 36220 1 6 '3D HN(CA)CO' 1 $sample_1 isotropic 36220 1 7 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36220 1 8 '3D HBHANH' 1 $sample_1 isotropic 36220 1 9 '3D HNCA' 1 $sample_1 isotropic 36220 1 10 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36220 1 11 '3D HCCH-COSY' 1 $sample_1 isotropic 36220 1 12 '3D CCH-TOCSY' 1 $sample_1 isotropic 36220 1 13 '3D CCH-COSY' 1 $sample_1 isotropic 36220 1 14 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36220 1 15 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36220 1 16 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36220 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 2 2 MET HA H 1 4.4490 0.02 . 1 . . . . A 1 MET HA . 36220 1 2 . 1 . 1 2 2 MET HB2 H 1 1.9970 0.02 . 2 . . . . A 1 MET HB2 . 36220 1 3 . 1 . 1 2 2 MET HB3 H 1 2.0550 0.02 . 2 . . . . A 1 MET HB3 . 36220 1 4 . 1 . 1 2 2 MET HG2 H 1 2.5750 0.02 . 2 . . . . A 1 MET HG2 . 36220 1 5 . 1 . 1 2 2 MET HG3 H 1 2.5410 0.02 . 2 . . . . A 1 MET HG3 . 36220 1 6 . 1 . 1 2 2 MET HE1 H 1 2.1060 0.02 . 1 . . . . A 1 MET HE1 . 36220 1 7 . 1 . 1 2 2 MET HE2 H 1 2.1060 0.02 . 1 . . . . A 1 MET HE2 . 36220 1 8 . 1 . 1 2 2 MET HE3 H 1 2.1060 0.02 . 1 . . . . A 1 MET HE3 . 36220 1 9 . 1 . 1 2 2 MET C C 13 175.2650 0.3 . 1 . . . . A 1 MET C . 36220 1 10 . 1 . 1 2 2 MET CA C 13 55.6550 0.3 . 1 . . . . A 1 MET CA . 36220 1 11 . 1 . 1 2 2 MET CB C 13 32.6920 0.3 . 1 . . . . A 1 MET CB . 36220 1 12 . 1 . 1 2 2 MET CG C 13 31.9880 0.3 . 1 . . . . A 1 MET CG . 36220 1 13 . 1 . 1 2 2 MET CE C 13 18.0740 0.3 . 1 . . . . A 1 MET CE . 36220 1 14 . 1 . 1 3 3 ASN H H 1 8.4560 0.02 . 1 . . . . A 2 ASN H . 36220 1 15 . 1 . 1 3 3 ASN HA H 1 4.6000 0.02 . 1 . . . . A 2 ASN HA . 36220 1 16 . 1 . 1 3 3 ASN HB2 H 1 2.6490 0.02 . 2 . . . . A 2 ASN HB2 . 36220 1 17 . 1 . 1 3 3 ASN HB3 H 1 2.6490 0.02 . 2 . . . . A 2 ASN HB3 . 36220 1 18 . 1 . 1 3 3 ASN HD21 H 1 7.4430 0.02 . 2 . . . . A 2 ASN HD21 . 36220 1 19 . 1 . 1 3 3 ASN HD22 H 1 6.8160 0.02 . 2 . . . . A 2 ASN HD22 . 36220 1 20 . 1 . 1 3 3 ASN C C 13 174.5730 0.3 . 1 . . . . A 2 ASN C . 36220 1 21 . 1 . 1 3 3 ASN CA C 13 53.5090 0.3 . 1 . . . . A 2 ASN CA . 36220 1 22 . 1 . 1 3 3 ASN CB C 13 39.1240 0.3 . 1 . . . . A 2 ASN CB . 36220 1 23 . 1 . 1 3 3 ASN N N 15 120.4160 0.2 . 1 . . . . A 2 ASN N . 36220 1 24 . 1 . 1 3 3 ASN ND2 N 15 112.3200 0.2 . 1 . . . . A 2 ASN ND2 . 36220 1 25 . 1 . 1 4 4 ARG H H 1 8.2730 0.02 . 1 . . . . A 3 ARG H . 36220 1 26 . 1 . 1 4 4 ARG HA H 1 4.1900 0.02 . 1 . . . . A 3 ARG HA . 36220 1 27 . 1 . 1 4 4 ARG HB2 H 1 0.4450 0.02 . 2 . . . . A 3 ARG HB2 . 36220 1 28 . 1 . 1 4 4 ARG HB3 H 1 1.2070 0.02 . 2 . . . . A 3 ARG HB3 . 36220 1 29 . 1 . 1 4 4 ARG HG2 H 1 1.3630 0.02 . 2 . . . . A 3 ARG HG2 . 36220 1 30 . 1 . 1 4 4 ARG HG3 H 1 1.3320 0.02 . 2 . . . . A 3 ARG HG3 . 36220 1 31 . 1 . 1 4 4 ARG HD2 H 1 3.0350 0.02 . 2 . . . . A 3 ARG HD2 . 36220 1 32 . 1 . 1 4 4 ARG HD3 H 1 2.9240 0.02 . 2 . . . . A 3 ARG HD3 . 36220 1 33 . 1 . 1 4 4 ARG HE H 1 7.3350 0.02 . 1 . . . . A 3 ARG HE . 36220 1 34 . 1 . 1 4 4 ARG C C 13 173.7760 0.3 . 1 . . . . A 3 ARG C . 36220 1 35 . 1 . 1 4 4 ARG CA C 13 54.8650 0.3 . 1 . . . . A 3 ARG CA . 36220 1 36 . 1 . 1 4 4 ARG CB C 13 31.7300 0.3 . 1 . . . . A 3 ARG CB . 36220 1 37 . 1 . 1 4 4 ARG CG C 13 26.8920 0.3 . 1 . . . . A 3 ARG CG . 36220 1 38 . 1 . 1 4 4 ARG CD C 13 43.5410 0.3 . 1 . . . . A 3 ARG CD . 36220 1 39 . 1 . 1 4 4 ARG N N 15 121.3000 0.2 . 1 . . . . A 3 ARG N . 36220 1 40 . 1 . 1 4 4 ARG NE N 15 84.1300 0.2 . 1 . . . . A 3 ARG NE . 36220 1 41 . 1 . 1 5 5 LEU H H 1 7.9980 0.02 . 1 . . . . A 4 LEU H . 36220 1 42 . 1 . 1 5 5 LEU HA H 1 5.4020 0.02 . 1 . . . . A 4 LEU HA . 36220 1 43 . 1 . 1 5 5 LEU HB2 H 1 1.4600 0.02 . 2 . . . . A 4 LEU HB2 . 36220 1 44 . 1 . 1 5 5 LEU HB3 H 1 1.5880 0.02 . 2 . . . . A 4 LEU HB3 . 36220 1 45 . 1 . 1 5 5 LEU HG H 1 1.5420 0.02 . 1 . . . . A 4 LEU HG . 36220 1 46 . 1 . 1 5 5 LEU HD11 H 1 0.8350 0.02 . 2 . . . . A 4 LEU HD11 . 36220 1 47 . 1 . 1 5 5 LEU HD12 H 1 0.8350 0.02 . 2 . . . . A 4 LEU HD12 . 36220 1 48 . 1 . 1 5 5 LEU HD13 H 1 0.8350 0.02 . 2 . . . . A 4 LEU HD13 . 36220 1 49 . 1 . 1 5 5 LEU HD21 H 1 0.7920 0.02 . 2 . . . . A 4 LEU HD21 . 36220 1 50 . 1 . 1 5 5 LEU HD22 H 1 0.7920 0.02 . 2 . . . . A 4 LEU HD22 . 36220 1 51 . 1 . 1 5 5 LEU HD23 H 1 0.7920 0.02 . 2 . . . . A 4 LEU HD23 . 36220 1 52 . 1 . 1 5 5 LEU C C 13 177.9740 0.3 . 1 . . . . A 4 LEU C . 36220 1 53 . 1 . 1 5 5 LEU CA C 13 53.4840 0.3 . 1 . . . . A 4 LEU CA . 36220 1 54 . 1 . 1 5 5 LEU CB C 13 45.9570 0.3 . 1 . . . . A 4 LEU CB . 36220 1 55 . 1 . 1 5 5 LEU CG C 13 26.8920 0.3 . 1 . . . . A 4 LEU CG . 36220 1 56 . 1 . 1 5 5 LEU CD1 C 13 24.9660 0.3 . 2 . . . . A 4 LEU CD1 . 36220 1 57 . 1 . 1 5 5 LEU CD2 C 13 24.0600 0.3 . 2 . . . . A 4 LEU CD2 . 36220 1 58 . 1 . 1 5 5 LEU N N 15 119.7080 0.2 . 1 . . . . A 4 LEU N . 36220 1 59 . 1 . 1 6 6 GLY H H 1 8.7580 0.02 . 1 . . . . A 5 GLY H . 36220 1 60 . 1 . 1 6 6 GLY HA2 H 1 3.6530 0.02 . 2 . . . . A 5 GLY HA2 . 36220 1 61 . 1 . 1 6 6 GLY HA3 H 1 4.6300 0.02 . 2 . . . . A 5 GLY HA3 . 36220 1 62 . 1 . 1 6 6 GLY C C 13 170.6440 0.3 . 1 . . . . A 5 GLY C . 36220 1 63 . 1 . 1 6 6 GLY CA C 13 45.8330 0.3 . 1 . . . . A 5 GLY CA . 36220 1 64 . 1 . 1 6 6 GLY N N 15 107.4890 0.2 . 1 . . . . A 5 GLY N . 36220 1 65 . 1 . 1 7 7 ILE H H 1 8.4570 0.02 . 1 . . . . A 6 ILE H . 36220 1 66 . 1 . 1 7 7 ILE HA H 1 5.0480 0.02 . 1 . . . . A 6 ILE HA . 36220 1 67 . 1 . 1 7 7 ILE HB H 1 1.7750 0.02 . 1 . . . . A 6 ILE HB . 36220 1 68 . 1 . 1 7 7 ILE HG12 H 1 1.5790 0.02 . 2 . . . . A 6 ILE HG12 . 36220 1 69 . 1 . 1 7 7 ILE HG13 H 1 1.1710 0.02 . 2 . . . . A 6 ILE HG13 . 36220 1 70 . 1 . 1 7 7 ILE HG21 H 1 0.8220 0.02 . 1 . . . . A 6 ILE HG21 . 36220 1 71 . 1 . 1 7 7 ILE HG22 H 1 0.8220 0.02 . 1 . . . . A 6 ILE HG22 . 36220 1 72 . 1 . 1 7 7 ILE HG23 H 1 0.8220 0.02 . 1 . . . . A 6 ILE HG23 . 36220 1 73 . 1 . 1 7 7 ILE HD11 H 1 0.8640 0.02 . 1 . . . . A 6 ILE HD11 . 36220 1 74 . 1 . 1 7 7 ILE HD12 H 1 0.8640 0.02 . 1 . . . . A 6 ILE HD12 . 36220 1 75 . 1 . 1 7 7 ILE HD13 H 1 0.8640 0.02 . 1 . . . . A 6 ILE HD13 . 36220 1 76 . 1 . 1 7 7 ILE C C 13 176.6680 0.3 . 1 . . . . A 6 ILE C . 36220 1 77 . 1 . 1 7 7 ILE CA C 13 58.6850 0.3 . 1 . . . . A 6 ILE CA . 36220 1 78 . 1 . 1 7 7 ILE CB C 13 41.0100 0.3 . 1 . . . . A 6 ILE CB . 36220 1 79 . 1 . 1 7 7 ILE CG1 C 13 27.7980 0.3 . 1 . . . . A 6 ILE CG1 . 36220 1 80 . 1 . 1 7 7 ILE CG2 C 13 17.3770 0.3 . 1 . . . . A 6 ILE CG2 . 36220 1 81 . 1 . 1 7 7 ILE CD1 C 13 12.6200 0.3 . 1 . . . . A 6 ILE CD1 . 36220 1 82 . 1 . 1 7 7 ILE N N 15 119.6600 0.2 . 1 . . . . A 6 ILE N . 36220 1 83 . 1 . 1 8 8 ILE H H 1 8.7060 0.02 . 1 . . . . A 7 ILE H . 36220 1 84 . 1 . 1 8 8 ILE HA H 1 4.1470 0.02 . 1 . . . . A 7 ILE HA . 36220 1 85 . 1 . 1 8 8 ILE HB H 1 2.3120 0.02 . 1 . . . . A 7 ILE HB . 36220 1 86 . 1 . 1 8 8 ILE HG12 H 1 1.6960 0.02 . 2 . . . . A 7 ILE HG12 . 36220 1 87 . 1 . 1 8 8 ILE HG13 H 1 1.1640 0.02 . 2 . . . . A 7 ILE HG13 . 36220 1 88 . 1 . 1 8 8 ILE HG21 H 1 0.7380 0.02 . 1 . . . . A 7 ILE HG21 . 36220 1 89 . 1 . 1 8 8 ILE HG22 H 1 0.7380 0.02 . 1 . . . . A 7 ILE HG22 . 36220 1 90 . 1 . 1 8 8 ILE HG23 H 1 0.7380 0.02 . 1 . . . . A 7 ILE HG23 . 36220 1 91 . 1 . 1 8 8 ILE HD11 H 1 0.8550 0.02 . 1 . . . . A 7 ILE HD11 . 36220 1 92 . 1 . 1 8 8 ILE HD12 H 1 0.8550 0.02 . 1 . . . . A 7 ILE HD12 . 36220 1 93 . 1 . 1 8 8 ILE HD13 H 1 0.8550 0.02 . 1 . . . . A 7 ILE HD13 . 36220 1 94 . 1 . 1 8 8 ILE C C 13 175.6310 0.3 . 1 . . . . A 7 ILE C . 36220 1 95 . 1 . 1 8 8 ILE CA C 13 62.4880 0.3 . 1 . . . . A 7 ILE CA . 36220 1 96 . 1 . 1 8 8 ILE CB C 13 36.2590 0.3 . 1 . . . . A 7 ILE CB . 36220 1 97 . 1 . 1 8 8 ILE CG1 C 13 27.6840 0.3 . 1 . . . . A 7 ILE CG1 . 36220 1 98 . 1 . 1 8 8 ILE CG2 C 13 18.3970 0.3 . 1 . . . . A 7 ILE CG2 . 36220 1 99 . 1 . 1 8 8 ILE CD1 C 13 12.5070 0.3 . 1 . . . . A 7 ILE CD1 . 36220 1 100 . 1 . 1 8 8 ILE N N 15 125.1540 0.2 . 1 . . . . A 7 ILE N . 36220 1 101 . 1 . 1 9 9 TYR H H 1 9.9400 0.02 . 1 . . . . A 8 TYR H . 36220 1 102 . 1 . 1 9 9 TYR HA H 1 4.5760 0.02 . 1 . . . . A 8 TYR HA . 36220 1 103 . 1 . 1 9 9 TYR HB2 H 1 2.9200 0.02 . 2 . . . . A 8 TYR HB2 . 36220 1 104 . 1 . 1 9 9 TYR HB3 H 1 2.9990 0.02 . 2 . . . . A 8 TYR HB3 . 36220 1 105 . 1 . 1 9 9 TYR HD1 H 1 7.1530 0.02 . 3 . . . . A 8 TYR HD1 . 36220 1 106 . 1 . 1 9 9 TYR HD2 H 1 7.1530 0.02 . 3 . . . . A 8 TYR HD2 . 36220 1 107 . 1 . 1 9 9 TYR HE1 H 1 6.8430 0.02 . 3 . . . . A 8 TYR HE1 . 36220 1 108 . 1 . 1 9 9 TYR HE2 H 1 6.8430 0.02 . 3 . . . . A 8 TYR HE2 . 36220 1 109 . 1 . 1 9 9 TYR C C 13 175.0400 0.3 . 1 . . . . A 8 TYR C . 36220 1 110 . 1 . 1 9 9 TYR CA C 13 59.6930 0.3 . 1 . . . . A 8 TYR CA . 36220 1 111 . 1 . 1 9 9 TYR CB C 13 41.7400 0.3 . 1 . . . . A 8 TYR CB . 36220 1 112 . 1 . 1 9 9 TYR CD1 C 13 132.8470 0.3 . 3 . . . . A 8 TYR CD1 . 36220 1 113 . 1 . 1 9 9 TYR CD2 C 13 132.8470 0.3 . 3 . . . . A 8 TYR CD2 . 36220 1 114 . 1 . 1 9 9 TYR CE1 C 13 118.7720 0.3 . 3 . . . . A 8 TYR CE1 . 36220 1 115 . 1 . 1 9 9 TYR CE2 C 13 118.7720 0.3 . 3 . . . . A 8 TYR CE2 . 36220 1 116 . 1 . 1 9 9 TYR N N 15 134.3900 0.2 . 1 . . . . A 8 TYR N . 36220 1 117 . 1 . 1 10 10 GLU H H 1 7.7820 0.02 . 1 . . . . A 9 GLU H . 36220 1 118 . 1 . 1 10 10 GLU HA H 1 4.4370 0.02 . 1 . . . . A 9 GLU HA . 36220 1 119 . 1 . 1 10 10 GLU HB2 H 1 1.8290 0.02 . 2 . . . . A 9 GLU HB2 . 36220 1 120 . 1 . 1 10 10 GLU HB3 H 1 2.0010 0.02 . 2 . . . . A 9 GLU HB3 . 36220 1 121 . 1 . 1 10 10 GLU HG2 H 1 2.0830 0.02 . 2 . . . . A 9 GLU HG2 . 36220 1 122 . 1 . 1 10 10 GLU HG3 H 1 2.1910 0.02 . 2 . . . . A 9 GLU HG3 . 36220 1 123 . 1 . 1 10 10 GLU C C 13 173.7130 0.3 . 1 . . . . A 9 GLU C . 36220 1 124 . 1 . 1 10 10 GLU CA C 13 55.9140 0.3 . 1 . . . . A 9 GLU CA . 36220 1 125 . 1 . 1 10 10 GLU CB C 13 34.0850 0.3 . 1 . . . . A 9 GLU CB . 36220 1 126 . 1 . 1 10 10 GLU CG C 13 36.6530 0.3 . 1 . . . . A 9 GLU CG . 36220 1 127 . 1 . 1 10 10 GLU N N 15 116.1990 0.2 . 1 . . . . A 9 GLU N . 36220 1 128 . 1 . 1 11 11 ILE H H 1 8.8780 0.02 . 1 . . . . A 10 ILE H . 36220 1 129 . 1 . 1 11 11 ILE HA H 1 4.4470 0.02 . 1 . . . . A 10 ILE HA . 36220 1 130 . 1 . 1 11 11 ILE HB H 1 1.6570 0.02 . 1 . . . . A 10 ILE HB . 36220 1 131 . 1 . 1 11 11 ILE HG12 H 1 1.4510 0.02 . 2 . . . . A 10 ILE HG12 . 36220 1 132 . 1 . 1 11 11 ILE HG13 H 1 0.8550 0.02 . 2 . . . . A 10 ILE HG13 . 36220 1 133 . 1 . 1 11 11 ILE HG21 H 1 0.8190 0.02 . 1 . . . . A 10 ILE HG21 . 36220 1 134 . 1 . 1 11 11 ILE HG22 H 1 0.8190 0.02 . 1 . . . . A 10 ILE HG22 . 36220 1 135 . 1 . 1 11 11 ILE HG23 H 1 0.8190 0.02 . 1 . . . . A 10 ILE HG23 . 36220 1 136 . 1 . 1 11 11 ILE HD11 H 1 0.6970 0.02 . 1 . . . . A 10 ILE HD11 . 36220 1 137 . 1 . 1 11 11 ILE HD12 H 1 0.6970 0.02 . 1 . . . . A 10 ILE HD12 . 36220 1 138 . 1 . 1 11 11 ILE HD13 H 1 0.6970 0.02 . 1 . . . . A 10 ILE HD13 . 36220 1 139 . 1 . 1 11 11 ILE C C 13 174.7990 0.3 . 1 . . . . A 10 ILE C . 36220 1 140 . 1 . 1 11 11 ILE CA C 13 60.9530 0.3 . 1 . . . . A 10 ILE CA . 36220 1 141 . 1 . 1 11 11 ILE CB C 13 39.9750 0.3 . 1 . . . . A 10 ILE CB . 36220 1 142 . 1 . 1 11 11 ILE CG1 C 13 27.8610 0.3 . 1 . . . . A 10 ILE CG1 . 36220 1 143 . 1 . 1 11 11 ILE CG2 C 13 17.3490 0.3 . 1 . . . . A 10 ILE CG2 . 36220 1 144 . 1 . 1 11 11 ILE CD1 C 13 13.3350 0.3 . 1 . . . . A 10 ILE CD1 . 36220 1 145 . 1 . 1 11 11 ILE N N 15 124.6230 0.2 . 1 . . . . A 10 ILE N . 36220 1 146 . 1 . 1 12 12 GLN H H 1 8.6510 0.02 . 1 . . . . A 11 GLN H . 36220 1 147 . 1 . 1 12 12 GLN HA H 1 4.5760 0.02 . 1 . . . . A 11 GLN HA . 36220 1 148 . 1 . 1 12 12 GLN HB2 H 1 1.8080 0.02 . 2 . . . . A 11 GLN HB2 . 36220 1 149 . 1 . 1 12 12 GLN HB3 H 1 1.9470 0.02 . 2 . . . . A 11 GLN HB3 . 36220 1 150 . 1 . 1 12 12 GLN HG2 H 1 2.2090 0.02 . 2 . . . . A 11 GLN HG2 . 36220 1 151 . 1 . 1 12 12 GLN HG3 H 1 2.1680 0.02 . 2 . . . . A 11 GLN HG3 . 36220 1 152 . 1 . 1 12 12 GLN HE21 H 1 7.5170 0.02 . 2 . . . . A 11 GLN HE21 . 36220 1 153 . 1 . 1 12 12 GLN HE22 H 1 6.6160 0.02 . 2 . . . . A 11 GLN HE22 . 36220 1 154 . 1 . 1 12 12 GLN C C 13 175.6460 0.3 . 1 . . . . A 11 GLN C . 36220 1 155 . 1 . 1 12 12 GLN CA C 13 54.2000 0.3 . 1 . . . . A 11 GLN CA . 36220 1 156 . 1 . 1 12 12 GLN CB C 13 30.4030 0.3 . 1 . . . . A 11 GLN CB . 36220 1 157 . 1 . 1 12 12 GLN CG C 13 33.2130 0.3 . 1 . . . . A 11 GLN CG . 36220 1 158 . 1 . 1 12 12 GLN N N 15 127.4350 0.2 . 1 . . . . A 11 GLN N . 36220 1 159 . 1 . 1 12 12 GLN NE2 N 15 110.9100 0.2 . 1 . . . . A 11 GLN NE2 . 36220 1 160 . 1 . 1 13 13 GLY H H 1 8.9780 0.02 . 1 . . . . A 12 GLY H . 36220 1 161 . 1 . 1 13 13 GLY HA2 H 1 3.6100 0.02 . 2 . . . . A 12 GLY HA2 . 36220 1 162 . 1 . 1 13 13 GLY HA3 H 1 3.9320 0.02 . 2 . . . . A 12 GLY HA3 . 36220 1 163 . 1 . 1 13 13 GLY C C 13 174.7500 0.3 . 1 . . . . A 12 GLY C . 36220 1 164 . 1 . 1 13 13 GLY CA C 13 47.6140 0.3 . 1 . . . . A 12 GLY CA . 36220 1 165 . 1 . 1 13 13 GLY N N 15 115.9560 0.2 . 1 . . . . A 12 GLY N . 36220 1 166 . 1 . 1 14 14 MET H H 1 8.9160 0.02 . 1 . . . . A 13 MET H . 36220 1 167 . 1 . 1 14 14 MET HA H 1 4.6510 0.02 . 1 . . . . A 13 MET HA . 36220 1 168 . 1 . 1 14 14 MET HB2 H 1 1.9790 0.02 . 2 . . . . A 13 MET HB2 . 36220 1 169 . 1 . 1 14 14 MET HB3 H 1 2.4300 0.02 . 2 . . . . A 13 MET HB3 . 36220 1 170 . 1 . 1 14 14 MET HG2 H 1 2.5660 0.02 . 2 . . . . A 13 MET HG2 . 36220 1 171 . 1 . 1 14 14 MET HG3 H 1 2.7550 0.02 . 2 . . . . A 13 MET HG3 . 36220 1 172 . 1 . 1 14 14 MET HE1 H 1 2.0820 0.02 . 1 . . . . A 13 MET HE1 . 36220 1 173 . 1 . 1 14 14 MET HE2 H 1 2.0820 0.02 . 1 . . . . A 13 MET HE2 . 36220 1 174 . 1 . 1 14 14 MET HE3 H 1 2.0820 0.02 . 1 . . . . A 13 MET HE3 . 36220 1 175 . 1 . 1 14 14 MET C C 13 175.8010 0.3 . 1 . . . . A 13 MET C . 36220 1 176 . 1 . 1 14 14 MET CA C 13 55.0860 0.3 . 1 . . . . A 13 MET CA . 36220 1 177 . 1 . 1 14 14 MET CB C 13 31.4800 0.3 . 1 . . . . A 13 MET CB . 36220 1 178 . 1 . 1 14 14 MET CG C 13 32.4580 0.3 . 1 . . . . A 13 MET CG . 36220 1 179 . 1 . 1 14 14 MET CE C 13 16.6600 0.3 . 1 . . . . A 13 MET CE . 36220 1 180 . 1 . 1 14 14 MET N N 15 125.2770 0.2 . 1 . . . . A 13 MET N . 36220 1 181 . 1 . 1 15 15 LYS H H 1 8.1610 0.02 . 1 . . . . A 14 LYS H . 36220 1 182 . 1 . 1 15 15 LYS HA H 1 4.8870 0.02 . 1 . . . . A 14 LYS HA . 36220 1 183 . 1 . 1 15 15 LYS HB2 H 1 1.4860 0.02 . 2 . . . . A 14 LYS HB2 . 36220 1 184 . 1 . 1 15 15 LYS HB3 H 1 1.8180 0.02 . 2 . . . . A 14 LYS HB3 . 36220 1 185 . 1 . 1 15 15 LYS HG2 H 1 1.1450 0.02 . 2 . . . . A 14 LYS HG2 . 36220 1 186 . 1 . 1 15 15 LYS HG3 H 1 0.9580 0.02 . 2 . . . . A 14 LYS HG3 . 36220 1 187 . 1 . 1 15 15 LYS HD2 H 1 1.3240 0.02 . 2 . . . . A 14 LYS HD2 . 36220 1 188 . 1 . 1 15 15 LYS HD3 H 1 1.3240 0.02 . 2 . . . . A 14 LYS HD3 . 36220 1 189 . 1 . 1 15 15 LYS HE2 H 1 2.5590 0.02 . 2 . . . . A 14 LYS HE2 . 36220 1 190 . 1 . 1 15 15 LYS HE3 H 1 2.3870 0.02 . 2 . . . . A 14 LYS HE3 . 36220 1 191 . 1 . 1 15 15 LYS C C 13 173.7390 0.3 . 1 . . . . A 14 LYS C . 36220 1 192 . 1 . 1 15 15 LYS CA C 13 55.2850 0.3 . 1 . . . . A 14 LYS CA . 36220 1 193 . 1 . 1 15 15 LYS CB C 13 35.4920 0.3 . 1 . . . . A 14 LYS CB . 36220 1 194 . 1 . 1 15 15 LYS CG C 13 24.8530 0.3 . 1 . . . . A 14 LYS CG . 36220 1 195 . 1 . 1 15 15 LYS CD C 13 29.2710 0.3 . 1 . . . . A 14 LYS CD . 36220 1 196 . 1 . 1 15 15 LYS CE C 13 41.8420 0.3 . 1 . . . . A 14 LYS CE . 36220 1 197 . 1 . 1 15 15 LYS N N 15 121.7790 0.2 . 1 . . . . A 14 LYS N . 36220 1 198 . 1 . 1 16 16 ALA H H 1 9.0690 0.02 . 1 . . . . A 15 ALA H . 36220 1 199 . 1 . 1 16 16 ALA HA H 1 4.9840 0.02 . 1 . . . . A 15 ALA HA . 36220 1 200 . 1 . 1 16 16 ALA HB1 H 1 1.0890 0.02 . 1 . . . . A 15 ALA HB1 . 36220 1 201 . 1 . 1 16 16 ALA HB2 H 1 1.0890 0.02 . 1 . . . . A 15 ALA HB2 . 36220 1 202 . 1 . 1 16 16 ALA HB3 H 1 1.0890 0.02 . 1 . . . . A 15 ALA HB3 . 36220 1 203 . 1 . 1 16 16 ALA C C 13 174.5960 0.3 . 1 . . . . A 15 ALA C . 36220 1 204 . 1 . 1 16 16 ALA CA C 13 50.2240 0.3 . 1 . . . . A 15 ALA CA . 36220 1 205 . 1 . 1 16 16 ALA CB C 13 21.7950 0.3 . 1 . . . . A 15 ALA CB . 36220 1 206 . 1 . 1 16 16 ALA N N 15 123.1510 0.2 . 1 . . . . A 15 ALA N . 36220 1 207 . 1 . 1 17 17 VAL H H 1 9.0110 0.02 . 1 . . . . A 16 VAL H . 36220 1 208 . 1 . 1 17 17 VAL HA H 1 4.7160 0.02 . 1 . . . . A 16 VAL HA . 36220 1 209 . 1 . 1 17 17 VAL HB H 1 2.0970 0.02 . 1 . . . . A 16 VAL HB . 36220 1 210 . 1 . 1 17 17 VAL HG11 H 1 0.8680 0.02 . 2 . . . . A 16 VAL HG11 . 36220 1 211 . 1 . 1 17 17 VAL HG12 H 1 0.8680 0.02 . 2 . . . . A 16 VAL HG12 . 36220 1 212 . 1 . 1 17 17 VAL HG13 H 1 0.8680 0.02 . 2 . . . . A 16 VAL HG13 . 36220 1 213 . 1 . 1 17 17 VAL HG21 H 1 0.9750 0.02 . 2 . . . . A 16 VAL HG21 . 36220 1 214 . 1 . 1 17 17 VAL HG22 H 1 0.9750 0.02 . 2 . . . . A 16 VAL HG22 . 36220 1 215 . 1 . 1 17 17 VAL HG23 H 1 0.9750 0.02 . 2 . . . . A 16 VAL HG23 . 36220 1 216 . 1 . 1 17 17 VAL C C 13 176.0410 0.3 . 1 . . . . A 16 VAL C . 36220 1 217 . 1 . 1 17 17 VAL CA C 13 61.6020 0.3 . 1 . . . . A 16 VAL CA . 36220 1 218 . 1 . 1 17 17 VAL CB C 13 32.8260 0.3 . 1 . . . . A 16 VAL CB . 36220 1 219 . 1 . 1 17 17 VAL CG1 C 13 20.2090 0.3 . 2 . . . . A 16 VAL CG1 . 36220 1 220 . 1 . 1 17 17 VAL CG2 C 13 21.5680 0.3 . 2 . . . . A 16 VAL CG2 . 36220 1 221 . 1 . 1 17 17 VAL N N 15 122.5480 0.2 . 1 . . . . A 16 VAL N . 36220 1 222 . 1 . 1 18 18 VAL H H 1 9.6600 0.02 . 1 . . . . A 17 VAL H . 36220 1 223 . 1 . 1 18 18 VAL HA H 1 4.9950 0.02 . 1 . . . . A 17 VAL HA . 36220 1 224 . 1 . 1 18 18 VAL HB H 1 1.5500 0.02 . 1 . . . . A 17 VAL HB . 36220 1 225 . 1 . 1 18 18 VAL HG11 H 1 0.5240 0.02 . 2 . . . . A 17 VAL HG11 . 36220 1 226 . 1 . 1 18 18 VAL HG12 H 1 0.5240 0.02 . 2 . . . . A 17 VAL HG12 . 36220 1 227 . 1 . 1 18 18 VAL HG13 H 1 0.5240 0.02 . 2 . . . . A 17 VAL HG13 . 36220 1 228 . 1 . 1 18 18 VAL HG21 H 1 0.5240 0.02 . 2 . . . . A 17 VAL HG21 . 36220 1 229 . 1 . 1 18 18 VAL HG22 H 1 0.5240 0.02 . 2 . . . . A 17 VAL HG22 . 36220 1 230 . 1 . 1 18 18 VAL HG23 H 1 0.5240 0.02 . 2 . . . . A 17 VAL HG23 . 36220 1 231 . 1 . 1 18 18 VAL C C 13 173.0730 0.3 . 1 . . . . A 17 VAL C . 36220 1 232 . 1 . 1 18 18 VAL CA C 13 59.1970 0.3 . 1 . . . . A 17 VAL CA . 36220 1 233 . 1 . 1 18 18 VAL CB C 13 35.0520 0.3 . 1 . . . . A 17 VAL CB . 36220 1 234 . 1 . 1 18 18 VAL CG1 C 13 21.2280 0.3 . 2 . . . . A 17 VAL CG1 . 36220 1 235 . 1 . 1 18 18 VAL CG2 C 13 21.2280 0.3 . 2 . . . . A 17 VAL CG2 . 36220 1 236 . 1 . 1 18 18 VAL N N 15 126.8980 0.2 . 1 . . . . A 17 VAL N . 36220 1 237 . 1 . 1 19 19 LEU H H 1 8.8390 0.02 . 1 . . . . A 18 LEU H . 36220 1 238 . 1 . 1 19 19 LEU HA H 1 4.8340 0.02 . 1 . . . . A 18 LEU HA . 36220 1 239 . 1 . 1 19 19 LEU HB2 H 1 0.7880 0.02 . 2 . . . . A 18 LEU HB2 . 36220 1 240 . 1 . 1 19 19 LEU HB3 H 1 1.7110 0.02 . 2 . . . . A 18 LEU HB3 . 36220 1 241 . 1 . 1 19 19 LEU HG H 1 1.2390 0.02 . 1 . . . . A 18 LEU HG . 36220 1 242 . 1 . 1 19 19 LEU HD11 H 1 -0.1660 0.02 . 2 . . . . A 18 LEU HD11 . 36220 1 243 . 1 . 1 19 19 LEU HD12 H 1 -0.1660 0.02 . 2 . . . . A 18 LEU HD12 . 36220 1 244 . 1 . 1 19 19 LEU HD13 H 1 -0.1660 0.02 . 2 . . . . A 18 LEU HD13 . 36220 1 245 . 1 . 1 19 19 LEU HD21 H 1 0.6340 0.02 . 2 . . . . A 18 LEU HD21 . 36220 1 246 . 1 . 1 19 19 LEU HD22 H 1 0.6340 0.02 . 2 . . . . A 18 LEU HD22 . 36220 1 247 . 1 . 1 19 19 LEU HD23 H 1 0.6340 0.02 . 2 . . . . A 18 LEU HD23 . 36220 1 248 . 1 . 1 19 19 LEU C C 13 178.2130 0.3 . 1 . . . . A 18 LEU C . 36220 1 249 . 1 . 1 19 19 LEU CA C 13 52.8570 0.3 . 1 . . . . A 18 LEU CA . 36220 1 250 . 1 . 1 19 19 LEU CB C 13 43.9430 0.3 . 1 . . . . A 18 LEU CB . 36220 1 251 . 1 . 1 19 19 LEU CG C 13 25.8720 0.3 . 1 . . . . A 18 LEU CG . 36220 1 252 . 1 . 1 19 19 LEU CD1 C 13 21.4550 0.3 . 2 . . . . A 18 LEU CD1 . 36220 1 253 . 1 . 1 19 19 LEU CD2 C 13 25.9780 0.3 . 2 . . . . A 18 LEU CD2 . 36220 1 254 . 1 . 1 19 19 LEU N N 15 126.4810 0.2 . 1 . . . . A 18 LEU N . 36220 1 255 . 1 . 1 20 20 THR H H 1 9.3330 0.02 . 1 . . . . A 19 THR H . 36220 1 256 . 1 . 1 20 20 THR HA H 1 4.9290 0.02 . 1 . . . . A 19 THR HA . 36220 1 257 . 1 . 1 20 20 THR HB H 1 5.0230 0.02 . 1 . . . . A 19 THR HB . 36220 1 258 . 1 . 1 20 20 THR HG21 H 1 1.4180 0.02 . 1 . . . . A 19 THR HG21 . 36220 1 259 . 1 . 1 20 20 THR HG22 H 1 1.4180 0.02 . 1 . . . . A 19 THR HG22 . 36220 1 260 . 1 . 1 20 20 THR HG23 H 1 1.4180 0.02 . 1 . . . . A 19 THR HG23 . 36220 1 261 . 1 . 1 20 20 THR C C 13 177.1570 0.3 . 1 . . . . A 19 THR C . 36220 1 262 . 1 . 1 20 20 THR CA C 13 60.9840 0.3 . 1 . . . . A 19 THR CA . 36220 1 263 . 1 . 1 20 20 THR CB C 13 71.7440 0.3 . 1 . . . . A 19 THR CB . 36220 1 264 . 1 . 1 20 20 THR CG2 C 13 22.1340 0.3 . 1 . . . . A 19 THR CG2 . 36220 1 265 . 1 . 1 20 20 THR N N 15 119.5260 0.2 . 1 . . . . A 19 THR N . 36220 1 266 . 1 . 1 21 21 SER H H 1 9.1330 0.02 . 1 . . . . A 20 SER H . 36220 1 267 . 1 . 1 21 21 SER HA H 1 4.2010 0.02 . 1 . . . . A 20 SER HA . 36220 1 268 . 1 . 1 21 21 SER HB2 H 1 3.9220 0.02 . 2 . . . . A 20 SER HB2 . 36220 1 269 . 1 . 1 21 21 SER HB3 H 1 4.0290 0.02 . 2 . . . . A 20 SER HB3 . 36220 1 270 . 1 . 1 21 21 SER C C 13 175.3640 0.3 . 1 . . . . A 20 SER C . 36220 1 271 . 1 . 1 21 21 SER CA C 13 61.2010 0.3 . 1 . . . . A 20 SER CA . 36220 1 272 . 1 . 1 21 21 SER CB C 13 62.7640 0.3 . 1 . . . . A 20 SER CB . 36220 1 273 . 1 . 1 21 21 SER N N 15 117.3920 0.2 . 1 . . . . A 20 SER N . 36220 1 274 . 1 . 1 22 22 GLU H H 1 7.8910 0.02 . 1 . . . . A 21 GLU H . 36220 1 275 . 1 . 1 22 22 GLU HA H 1 4.3610 0.02 . 1 . . . . A 21 GLU HA . 36220 1 276 . 1 . 1 22 22 GLU HB2 H 1 1.9040 0.02 . 2 . . . . A 21 GLU HB2 . 36220 1 277 . 1 . 1 22 22 GLU HB3 H 1 2.2150 0.02 . 2 . . . . A 21 GLU HB3 . 36220 1 278 . 1 . 1 22 22 GLU HG2 H 1 2.3590 0.02 . 2 . . . . A 21 GLU HG2 . 36220 1 279 . 1 . 1 22 22 GLU HG3 H 1 2.2440 0.02 . 2 . . . . A 21 GLU HG3 . 36220 1 280 . 1 . 1 22 22 GLU C C 13 176.6860 0.3 . 1 . . . . A 21 GLU C . 36220 1 281 . 1 . 1 22 22 GLU CA C 13 56.8500 0.3 . 1 . . . . A 21 GLU CA . 36220 1 282 . 1 . 1 22 22 GLU CB C 13 29.2620 0.3 . 1 . . . . A 21 GLU CB . 36220 1 283 . 1 . 1 22 22 GLU CG C 13 37.0850 0.3 . 1 . . . . A 21 GLU CG . 36220 1 284 . 1 . 1 22 22 GLU N N 15 117.9050 0.2 . 1 . . . . A 21 GLU N . 36220 1 285 . 1 . 1 23 23 GLY H H 1 8.0740 0.02 . 1 . . . . A 22 GLY H . 36220 1 286 . 1 . 1 23 23 GLY HA2 H 1 3.3860 0.02 . 2 . . . . A 22 GLY HA2 . 36220 1 287 . 1 . 1 23 23 GLY HA3 H 1 4.0860 0.02 . 2 . . . . A 22 GLY HA3 . 36220 1 288 . 1 . 1 23 23 GLY C C 13 173.4410 0.3 . 1 . . . . A 22 GLY C . 36220 1 289 . 1 . 1 23 23 GLY CA C 13 45.5800 0.3 . 1 . . . . A 22 GLY CA . 36220 1 290 . 1 . 1 23 23 GLY N N 15 108.0710 0.2 . 1 . . . . A 22 GLY N . 36220 1 291 . 1 . 1 24 24 GLU H H 1 7.1450 0.02 . 1 . . . . A 23 GLU H . 36220 1 292 . 1 . 1 24 24 GLU HA H 1 4.3940 0.02 . 1 . . . . A 23 GLU HA . 36220 1 293 . 1 . 1 24 24 GLU HB2 H 1 1.8500 0.02 . 2 . . . . A 23 GLU HB2 . 36220 1 294 . 1 . 1 24 24 GLU HB3 H 1 1.9470 0.02 . 2 . . . . A 23 GLU HB3 . 36220 1 295 . 1 . 1 24 24 GLU HG2 H 1 2.0900 0.02 . 2 . . . . A 23 GLU HG2 . 36220 1 296 . 1 . 1 24 24 GLU HG3 H 1 2.0900 0.02 . 2 . . . . A 23 GLU HG3 . 36220 1 297 . 1 . 1 24 24 GLU C C 13 174.8110 0.3 . 1 . . . . A 23 GLU C . 36220 1 298 . 1 . 1 24 24 GLU CA C 13 54.6780 0.3 . 1 . . . . A 23 GLU CA . 36220 1 299 . 1 . 1 24 24 GLU CB C 13 31.9310 0.3 . 1 . . . . A 23 GLU CB . 36220 1 300 . 1 . 1 24 24 GLU CG C 13 36.0660 0.3 . 1 . . . . A 23 GLU CG . 36220 1 301 . 1 . 1 24 24 GLU N N 15 118.7030 0.2 . 1 . . . . A 23 GLU N . 36220 1 302 . 1 . 1 25 25 PHE H H 1 8.6990 0.02 . 1 . . . . A 24 PHE H . 36220 1 303 . 1 . 1 25 25 PHE HA H 1 5.5740 0.02 . 1 . . . . A 24 PHE HA . 36220 1 304 . 1 . 1 25 25 PHE HB2 H 1 2.5690 0.02 . 2 . . . . A 24 PHE HB2 . 36220 1 305 . 1 . 1 25 25 PHE HB3 H 1 2.8060 0.02 . 2 . . . . A 24 PHE HB3 . 36220 1 306 . 1 . 1 25 25 PHE HD1 H 1 6.9320 0.02 . 3 . . . . A 24 PHE HD1 . 36220 1 307 . 1 . 1 25 25 PHE HD2 H 1 6.9320 0.02 . 3 . . . . A 24 PHE HD2 . 36220 1 308 . 1 . 1 25 25 PHE HE1 H 1 6.5660 0.02 . 3 . . . . A 24 PHE HE1 . 36220 1 309 . 1 . 1 25 25 PHE HE2 H 1 6.5660 0.02 . 3 . . . . A 24 PHE HE2 . 36220 1 310 . 1 . 1 25 25 PHE HZ H 1 6.7960 0.02 . 1 . . . . A 24 PHE HZ . 36220 1 311 . 1 . 1 25 25 PHE C C 13 176.0040 0.3 . 1 . . . . A 24 PHE C . 36220 1 312 . 1 . 1 25 25 PHE CA C 13 57.1830 0.3 . 1 . . . . A 24 PHE CA . 36220 1 313 . 1 . 1 25 25 PHE CB C 13 40.2720 0.3 . 1 . . . . A 24 PHE CB . 36220 1 314 . 1 . 1 25 25 PHE CD1 C 13 131.3480 0.3 . 3 . . . . A 24 PHE CD1 . 36220 1 315 . 1 . 1 25 25 PHE CD2 C 13 131.3480 0.3 . 3 . . . . A 24 PHE CD2 . 36220 1 316 . 1 . 1 25 25 PHE CE1 C 13 131.4940 0.3 . 3 . . . . A 24 PHE CE1 . 36220 1 317 . 1 . 1 25 25 PHE CE2 C 13 131.4940 0.3 . 3 . . . . A 24 PHE CE2 . 36220 1 318 . 1 . 1 25 25 PHE CZ C 13 129.7200 0.3 . 1 . . . . A 24 PHE CZ . 36220 1 319 . 1 . 1 25 25 PHE N N 15 121.5450 0.2 . 1 . . . . A 24 PHE N . 36220 1 320 . 1 . 1 26 26 LEU H H 1 9.1880 0.02 . 1 . . . . A 25 LEU H . 36220 1 321 . 1 . 1 26 26 LEU HA H 1 4.8010 0.02 . 1 . . . . A 25 LEU HA . 36220 1 322 . 1 . 1 26 26 LEU HB2 H 1 1.3350 0.02 . 2 . . . . A 25 LEU HB2 . 36220 1 323 . 1 . 1 26 26 LEU HB3 H 1 1.3350 0.02 . 2 . . . . A 25 LEU HB3 . 36220 1 324 . 1 . 1 26 26 LEU HG H 1 1.4860 0.02 . 1 . . . . A 25 LEU HG . 36220 1 325 . 1 . 1 26 26 LEU HD11 H 1 0.8970 0.02 . 2 . . . . A 25 LEU HD11 . 36220 1 326 . 1 . 1 26 26 LEU HD12 H 1 0.8970 0.02 . 2 . . . . A 25 LEU HD12 . 36220 1 327 . 1 . 1 26 26 LEU HD13 H 1 0.8970 0.02 . 2 . . . . A 25 LEU HD13 . 36220 1 328 . 1 . 1 26 26 LEU HD21 H 1 0.7920 0.02 . 2 . . . . A 25 LEU HD21 . 36220 1 329 . 1 . 1 26 26 LEU HD22 H 1 0.7920 0.02 . 2 . . . . A 25 LEU HD22 . 36220 1 330 . 1 . 1 26 26 LEU HD23 H 1 0.7920 0.02 . 2 . . . . A 25 LEU HD23 . 36220 1 331 . 1 . 1 26 26 LEU C C 13 174.5160 0.3 . 1 . . . . A 25 LEU C . 36220 1 332 . 1 . 1 26 26 LEU CA C 13 52.9990 0.3 . 1 . . . . A 25 LEU CA . 36220 1 333 . 1 . 1 26 26 LEU CB C 13 46.0030 0.3 . 1 . . . . A 25 LEU CB . 36220 1 334 . 1 . 1 26 26 LEU CG C 13 27.1180 0.3 . 1 . . . . A 25 LEU CG . 36220 1 335 . 1 . 1 26 26 LEU CD1 C 13 24.5130 0.3 . 2 . . . . A 25 LEU CD1 . 36220 1 336 . 1 . 1 26 26 LEU CD2 C 13 26.0000 0.3 . 2 . . . . A 25 LEU CD2 . 36220 1 337 . 1 . 1 26 26 LEU N N 15 123.6660 0.2 . 1 . . . . A 25 LEU N . 36220 1 338 . 1 . 1 27 27 ILE H H 1 8.5510 0.02 . 1 . . . . A 26 ILE H . 36220 1 339 . 1 . 1 27 27 ILE HA H 1 4.9520 0.02 . 1 . . . . A 26 ILE HA . 36220 1 340 . 1 . 1 27 27 ILE HB H 1 1.9450 0.02 . 1 . . . . A 26 ILE HB . 36220 1 341 . 1 . 1 27 27 ILE HG12 H 1 1.6130 0.02 . 2 . . . . A 26 ILE HG12 . 36220 1 342 . 1 . 1 27 27 ILE HG13 H 1 1.0940 0.02 . 2 . . . . A 26 ILE HG13 . 36220 1 343 . 1 . 1 27 27 ILE HG21 H 1 0.8200 0.02 . 1 . . . . A 26 ILE HG21 . 36220 1 344 . 1 . 1 27 27 ILE HG22 H 1 0.8200 0.02 . 1 . . . . A 26 ILE HG22 . 36220 1 345 . 1 . 1 27 27 ILE HG23 H 1 0.8200 0.02 . 1 . . . . A 26 ILE HG23 . 36220 1 346 . 1 . 1 27 27 ILE HD11 H 1 0.8220 0.02 . 1 . . . . A 26 ILE HD11 . 36220 1 347 . 1 . 1 27 27 ILE HD12 H 1 0.8220 0.02 . 1 . . . . A 26 ILE HD12 . 36220 1 348 . 1 . 1 27 27 ILE HD13 H 1 0.8220 0.02 . 1 . . . . A 26 ILE HD13 . 36220 1 349 . 1 . 1 27 27 ILE C C 13 176.0250 0.3 . 1 . . . . A 26 ILE C . 36220 1 350 . 1 . 1 27 27 ILE CA C 13 60.2000 0.3 . 1 . . . . A 26 ILE CA . 36220 1 351 . 1 . 1 27 27 ILE CB C 13 38.0080 0.3 . 1 . . . . A 26 ILE CB . 36220 1 352 . 1 . 1 27 27 ILE CG1 C 13 28.0240 0.3 . 1 . . . . A 26 ILE CG1 . 36220 1 353 . 1 . 1 27 27 ILE CG2 C 13 18.9630 0.3 . 1 . . . . A 26 ILE CG2 . 36220 1 354 . 1 . 1 27 27 ILE CD1 C 13 13.1870 0.3 . 1 . . . . A 26 ILE CD1 . 36220 1 355 . 1 . 1 27 27 ILE N N 15 121.3380 0.2 . 1 . . . . A 26 ILE N . 36220 1 356 . 1 . 1 28 28 ILE H H 1 9.1960 0.02 . 1 . . . . A 27 ILE H . 36220 1 357 . 1 . 1 28 28 ILE HA H 1 5.3160 0.02 . 1 . . . . A 27 ILE HA . 36220 1 358 . 1 . 1 28 28 ILE HB H 1 1.6680 0.02 . 1 . . . . A 27 ILE HB . 36220 1 359 . 1 . 1 28 28 ILE HG12 H 1 1.0770 0.02 . 2 . . . . A 27 ILE HG12 . 36220 1 360 . 1 . 1 28 28 ILE HG13 H 1 0.6850 0.02 . 2 . . . . A 27 ILE HG13 . 36220 1 361 . 1 . 1 28 28 ILE HG21 H 1 0.1580 0.02 . 1 . . . . A 27 ILE HG21 . 36220 1 362 . 1 . 1 28 28 ILE HG22 H 1 0.1580 0.02 . 1 . . . . A 27 ILE HG22 . 36220 1 363 . 1 . 1 28 28 ILE HG23 H 1 0.1580 0.02 . 1 . . . . A 27 ILE HG23 . 36220 1 364 . 1 . 1 28 28 ILE HD11 H 1 0.3280 0.02 . 1 . . . . A 27 ILE HD11 . 36220 1 365 . 1 . 1 28 28 ILE HD12 H 1 0.3280 0.02 . 1 . . . . A 27 ILE HD12 . 36220 1 366 . 1 . 1 28 28 ILE HD13 H 1 0.3280 0.02 . 1 . . . . A 27 ILE HD13 . 36220 1 367 . 1 . 1 28 28 ILE C C 13 175.4770 0.3 . 1 . . . . A 27 ILE C . 36220 1 368 . 1 . 1 28 28 ILE CA C 13 58.5150 0.3 . 1 . . . . A 27 ILE CA . 36220 1 369 . 1 . 1 28 28 ILE CB C 13 42.5000 0.3 . 1 . . . . A 27 ILE CB . 36220 1 370 . 1 . 1 28 28 ILE CG1 C 13 25.3060 0.3 . 1 . . . . A 27 ILE CG1 . 36220 1 371 . 1 . 1 28 28 ILE CG2 C 13 16.6980 0.3 . 1 . . . . A 27 ILE CG2 . 36220 1 372 . 1 . 1 28 28 ILE CD1 C 13 13.9790 0.3 . 1 . . . . A 27 ILE CD1 . 36220 1 373 . 1 . 1 28 28 ILE N N 15 119.7790 0.2 . 1 . . . . A 27 ILE N . 36220 1 374 . 1 . 1 29 29 ARG H H 1 8.2490 0.02 . 1 . . . . A 28 ARG H . 36220 1 375 . 1 . 1 29 29 ARG HA H 1 4.2760 0.02 . 1 . . . . A 28 ARG HA . 36220 1 376 . 1 . 1 29 29 ARG HB2 H 1 1.8180 0.02 . 2 . . . . A 28 ARG HB2 . 36220 1 377 . 1 . 1 29 29 ARG HB3 H 1 1.8180 0.02 . 2 . . . . A 28 ARG HB3 . 36220 1 378 . 1 . 1 29 29 ARG HG2 H 1 1.7540 0.02 . 2 . . . . A 28 ARG HG2 . 36220 1 379 . 1 . 1 29 29 ARG HG3 H 1 1.6540 0.02 . 2 . . . . A 28 ARG HG3 . 36220 1 380 . 1 . 1 29 29 ARG HD2 H 1 3.2650 0.02 . 2 . . . . A 28 ARG HD2 . 36220 1 381 . 1 . 1 29 29 ARG HD3 H 1 3.2650 0.02 . 2 . . . . A 28 ARG HD3 . 36220 1 382 . 1 . 1 29 29 ARG HE H 1 7.3110 0.02 . 1 . . . . A 28 ARG HE . 36220 1 383 . 1 . 1 29 29 ARG C C 13 175.5750 0.3 . 1 . . . . A 28 ARG C . 36220 1 384 . 1 . 1 29 29 ARG CA C 13 57.1910 0.3 . 1 . . . . A 28 ARG CA . 36220 1 385 . 1 . 1 29 29 ARG CB C 13 30.7810 0.3 . 1 . . . . A 28 ARG CB . 36220 1 386 . 1 . 1 29 29 ARG CG C 13 27.5710 0.3 . 1 . . . . A 28 ARG CG . 36220 1 387 . 1 . 1 29 29 ARG CD C 13 43.6550 0.3 . 1 . . . . A 28 ARG CD . 36220 1 388 . 1 . 1 29 29 ARG N N 15 120.1460 0.2 . 1 . . . . A 28 ARG N . 36220 1 389 . 1 . 1 29 29 ARG NE N 15 84.3940 0.2 . 1 . . . . A 28 ARG NE . 36220 1 390 . 1 . 1 30 30 ARG H H 1 7.9310 0.02 . 1 . . . . A 29 ARG H . 36220 1 391 . 1 . 1 30 30 ARG HA H 1 4.2330 0.02 . 1 . . . . A 29 ARG HA . 36220 1 392 . 1 . 1 30 30 ARG HB2 H 1 1.3140 0.02 . 2 . . . . A 29 ARG HB2 . 36220 1 393 . 1 . 1 30 30 ARG HB3 H 1 1.5500 0.02 . 2 . . . . A 29 ARG HB3 . 36220 1 394 . 1 . 1 30 30 ARG HG2 H 1 1.5850 0.02 . 2 . . . . A 29 ARG HG2 . 36220 1 395 . 1 . 1 30 30 ARG HG3 H 1 1.4270 0.02 . 2 . . . . A 29 ARG HG3 . 36220 1 396 . 1 . 1 30 30 ARG HD2 H 1 3.0610 0.02 . 2 . . . . A 29 ARG HD2 . 36220 1 397 . 1 . 1 30 30 ARG HD3 H 1 3.0610 0.02 . 2 . . . . A 29 ARG HD3 . 36220 1 398 . 1 . 1 30 30 ARG HE H 1 7.2610 0.02 . 1 . . . . A 29 ARG HE . 36220 1 399 . 1 . 1 30 30 ARG C C 13 175.6130 0.3 . 1 . . . . A 29 ARG C . 36220 1 400 . 1 . 1 30 30 ARG CA C 13 56.1140 0.3 . 1 . . . . A 29 ARG CA . 36220 1 401 . 1 . 1 30 30 ARG CB C 13 31.5350 0.3 . 1 . . . . A 29 ARG CB . 36220 1 402 . 1 . 1 30 30 ARG CG C 13 27.0050 0.3 . 1 . . . . A 29 ARG CG . 36220 1 403 . 1 . 1 30 30 ARG CD C 13 44.7870 0.3 . 1 . . . . A 29 ARG CD . 36220 1 404 . 1 . 1 30 30 ARG N N 15 124.4900 0.2 . 1 . . . . A 29 ARG N . 36220 1 405 . 1 . 1 30 30 ARG NE N 15 84.1690 0.2 . 1 . . . . A 29 ARG NE . 36220 1 406 . 1 . 1 31 31 ARG H H 1 8.1640 0.02 . 1 . . . . A 30 ARG H . 36220 1 407 . 1 . 1 31 31 ARG HA H 1 4.7580 0.02 . 1 . . . . A 30 ARG HA . 36220 1 408 . 1 . 1 31 31 ARG HB2 H 1 1.6790 0.02 . 2 . . . . A 30 ARG HB2 . 36220 1 409 . 1 . 1 31 31 ARG HB3 H 1 2.1290 0.02 . 2 . . . . A 30 ARG HB3 . 36220 1 410 . 1 . 1 31 31 ARG HG2 H 1 1.6980 0.02 . 2 . . . . A 30 ARG HG2 . 36220 1 411 . 1 . 1 31 31 ARG HG3 H 1 1.7480 0.02 . 2 . . . . A 30 ARG HG3 . 36220 1 412 . 1 . 1 31 31 ARG HD2 H 1 3.2140 0.02 . 2 . . . . A 30 ARG HD2 . 36220 1 413 . 1 . 1 31 31 ARG HD3 H 1 3.3760 0.02 . 2 . . . . A 30 ARG HD3 . 36220 1 414 . 1 . 1 31 31 ARG HE H 1 7.7890 0.02 . 1 . . . . A 30 ARG HE . 36220 1 415 . 1 . 1 31 31 ARG C C 13 177.4230 0.3 . 1 . . . . A 30 ARG C . 36220 1 416 . 1 . 1 31 31 ARG CA C 13 54.5400 0.3 . 1 . . . . A 30 ARG CA . 36220 1 417 . 1 . 1 31 31 ARG CB C 13 33.7600 0.3 . 1 . . . . A 30 ARG CB . 36220 1 418 . 1 . 1 31 31 ARG CG C 13 27.6160 0.3 . 1 . . . . A 30 ARG CG . 36220 1 419 . 1 . 1 31 31 ARG CD C 13 43.5410 0.3 . 1 . . . . A 30 ARG CD . 36220 1 420 . 1 . 1 31 31 ARG N N 15 126.0590 0.2 . 1 . . . . A 30 ARG N . 36220 1 421 . 1 . 1 31 31 ARG NE N 15 84.8930 0.2 . 1 . . . . A 30 ARG NE . 36220 1 422 . 1 . 1 32 32 LYS H H 1 8.7120 0.02 . 1 . . . . A 31 LYS H . 36220 1 423 . 1 . 1 32 32 LYS HA H 1 3.9750 0.02 . 1 . . . . A 31 LYS HA . 36220 1 424 . 1 . 1 32 32 LYS HB2 H 1 1.8090 0.02 . 2 . . . . A 31 LYS HB2 . 36220 1 425 . 1 . 1 32 32 LYS HB3 H 1 1.8690 0.02 . 2 . . . . A 31 LYS HB3 . 36220 1 426 . 1 . 1 32 32 LYS HG2 H 1 1.4520 0.02 . 2 . . . . A 31 LYS HG2 . 36220 1 427 . 1 . 1 32 32 LYS HG3 H 1 1.4520 0.02 . 2 . . . . A 31 LYS HG3 . 36220 1 428 . 1 . 1 32 32 LYS HD2 H 1 1.6920 0.02 . 2 . . . . A 31 LYS HD2 . 36220 1 429 . 1 . 1 32 32 LYS HD3 H 1 1.6920 0.02 . 2 . . . . A 31 LYS HD3 . 36220 1 430 . 1 . 1 32 32 LYS HE2 H 1 3.0090 0.02 . 2 . . . . A 31 LYS HE2 . 36220 1 431 . 1 . 1 32 32 LYS HE3 H 1 3.0090 0.02 . 2 . . . . A 31 LYS HE3 . 36220 1 432 . 1 . 1 32 32 LYS C C 13 176.6650 0.3 . 1 . . . . A 31 LYS C . 36220 1 433 . 1 . 1 32 32 LYS CA C 13 59.2010 0.3 . 1 . . . . A 31 LYS CA . 36220 1 434 . 1 . 1 32 32 LYS CB C 13 32.7240 0.3 . 1 . . . . A 31 LYS CB . 36220 1 435 . 1 . 1 32 32 LYS CG C 13 24.5130 0.3 . 1 . . . . A 31 LYS CG . 36220 1 436 . 1 . 1 32 32 LYS CD C 13 29.6100 0.3 . 1 . . . . A 31 LYS CD . 36220 1 437 . 1 . 1 32 32 LYS CE C 13 42.0690 0.3 . 1 . . . . A 31 LYS CE . 36220 1 438 . 1 . 1 32 32 LYS N N 15 121.9010 0.2 . 1 . . . . A 31 LYS N . 36220 1 439 . 1 . 1 33 33 ASP H H 1 8.5900 0.02 . 1 . . . . A 32 ASP H . 36220 1 440 . 1 . 1 33 33 ASP HA H 1 4.5120 0.02 . 1 . . . . A 32 ASP HA . 36220 1 441 . 1 . 1 33 33 ASP HB2 H 1 2.7520 0.02 . 2 . . . . A 32 ASP HB2 . 36220 1 442 . 1 . 1 33 33 ASP HB3 H 1 2.8140 0.02 . 2 . . . . A 32 ASP HB3 . 36220 1 443 . 1 . 1 33 33 ASP C C 13 175.8360 0.3 . 1 . . . . A 32 ASP C . 36220 1 444 . 1 . 1 33 33 ASP CA C 13 54.5580 0.3 . 1 . . . . A 32 ASP CA . 36220 1 445 . 1 . 1 33 33 ASP CB C 13 39.4180 0.3 . 1 . . . . A 32 ASP CB . 36220 1 446 . 1 . 1 33 33 ASP N N 15 116.6050 0.2 . 1 . . . . A 32 ASP N . 36220 1 447 . 1 . 1 34 34 MET H H 1 7.3780 0.02 . 1 . . . . A 33 MET H . 36220 1 448 . 1 . 1 34 34 MET HA H 1 4.5120 0.02 . 1 . . . . A 33 MET HA . 36220 1 449 . 1 . 1 34 34 MET HB2 H 1 1.7220 0.02 . 2 . . . . A 33 MET HB2 . 36220 1 450 . 1 . 1 34 34 MET HB3 H 1 1.9260 0.02 . 2 . . . . A 33 MET HB3 . 36220 1 451 . 1 . 1 34 34 MET HG2 H 1 2.4220 0.02 . 2 . . . . A 33 MET HG2 . 36220 1 452 . 1 . 1 34 34 MET HG3 H 1 2.7800 0.02 . 2 . . . . A 33 MET HG3 . 36220 1 453 . 1 . 1 34 34 MET HE1 H 1 2.1110 0.02 . 1 . . . . A 33 MET HE1 . 36220 1 454 . 1 . 1 34 34 MET HE2 H 1 2.1110 0.02 . 1 . . . . A 33 MET HE2 . 36220 1 455 . 1 . 1 34 34 MET HE3 H 1 2.1110 0.02 . 1 . . . . A 33 MET HE3 . 36220 1 456 . 1 . 1 34 34 MET C C 13 175.8040 0.3 . 1 . . . . A 33 MET C . 36220 1 457 . 1 . 1 34 34 MET CA C 13 57.5420 0.3 . 1 . . . . A 33 MET CA . 36220 1 458 . 1 . 1 34 34 MET CB C 13 34.3160 0.3 . 1 . . . . A 33 MET CB . 36220 1 459 . 1 . 1 34 34 MET CG C 13 34.3200 0.3 . 1 . . . . A 33 MET CG . 36220 1 460 . 1 . 1 34 34 MET CE C 13 18.0300 0.3 . 1 . . . . A 33 MET CE . 36220 1 461 . 1 . 1 34 34 MET N N 15 118.0370 0.2 . 1 . . . . A 33 MET N . 36220 1 462 . 1 . 1 35 35 LYS H H 1 7.6520 0.02 . 1 . . . . A 34 LYS H . 36220 1 463 . 1 . 1 35 35 LYS HA H 1 4.5010 0.02 . 1 . . . . A 34 LYS HA . 36220 1 464 . 1 . 1 35 35 LYS HB2 H 1 1.5070 0.02 . 2 . . . . A 34 LYS HB2 . 36220 1 465 . 1 . 1 35 35 LYS HB3 H 1 1.7650 0.02 . 2 . . . . A 34 LYS HB3 . 36220 1 466 . 1 . 1 35 35 LYS HG2 H 1 1.3660 0.02 . 2 . . . . A 34 LYS HG2 . 36220 1 467 . 1 . 1 35 35 LYS HG3 H 1 1.3660 0.02 . 2 . . . . A 34 LYS HG3 . 36220 1 468 . 1 . 1 35 35 LYS HD2 H 1 1.6470 0.02 . 2 . . . . A 34 LYS HD2 . 36220 1 469 . 1 . 1 35 35 LYS HD3 H 1 1.6470 0.02 . 2 . . . . A 34 LYS HD3 . 36220 1 470 . 1 . 1 35 35 LYS HE2 H 1 2.9690 0.02 . 2 . . . . A 34 LYS HE2 . 36220 1 471 . 1 . 1 35 35 LYS HE3 H 1 2.9690 0.02 . 2 . . . . A 34 LYS HE3 . 36220 1 472 . 1 . 1 35 35 LYS C C 13 174.9920 0.3 . 1 . . . . A 34 LYS C . 36220 1 473 . 1 . 1 35 35 LYS CA C 13 54.6800 0.3 . 1 . . . . A 34 LYS CA . 36220 1 474 . 1 . 1 35 35 LYS CB C 13 36.3700 0.3 . 1 . . . . A 34 LYS CB . 36220 1 475 . 1 . 1 35 35 LYS CG C 13 24.2860 0.3 . 1 . . . . A 34 LYS CG . 36220 1 476 . 1 . 1 35 35 LYS CD C 13 29.1570 0.3 . 1 . . . . A 34 LYS CD . 36220 1 477 . 1 . 1 35 35 LYS CE C 13 42.2300 0.3 . 1 . . . . A 34 LYS CE . 36220 1 478 . 1 . 1 35 35 LYS N N 15 119.9560 0.2 . 1 . . . . A 34 LYS N . 36220 1 479 . 1 . 1 36 36 VAL H H 1 8.5490 0.02 . 1 . . . . A 35 VAL H . 36220 1 480 . 1 . 1 36 36 VAL HA H 1 3.2990 0.02 . 1 . . . . A 35 VAL HA . 36220 1 481 . 1 . 1 36 36 VAL HB H 1 1.8720 0.02 . 1 . . . . A 35 VAL HB . 36220 1 482 . 1 . 1 36 36 VAL HG11 H 1 0.9340 0.02 . 2 . . . . A 35 VAL HG11 . 36220 1 483 . 1 . 1 36 36 VAL HG12 H 1 0.9340 0.02 . 2 . . . . A 35 VAL HG12 . 36220 1 484 . 1 . 1 36 36 VAL HG13 H 1 0.9340 0.02 . 2 . . . . A 35 VAL HG13 . 36220 1 485 . 1 . 1 36 36 VAL HG21 H 1 0.8560 0.02 . 2 . . . . A 35 VAL HG21 . 36220 1 486 . 1 . 1 36 36 VAL HG22 H 1 0.8560 0.02 . 2 . . . . A 35 VAL HG22 . 36220 1 487 . 1 . 1 36 36 VAL HG23 H 1 0.8560 0.02 . 2 . . . . A 35 VAL HG23 . 36220 1 488 . 1 . 1 36 36 VAL C C 13 177.2660 0.3 . 1 . . . . A 35 VAL C . 36220 1 489 . 1 . 1 36 36 VAL CA C 13 65.4220 0.3 . 1 . . . . A 35 VAL CA . 36220 1 490 . 1 . 1 36 36 VAL CB C 13 31.4380 0.3 . 1 . . . . A 35 VAL CB . 36220 1 491 . 1 . 1 36 36 VAL CG1 C 13 23.0300 0.3 . 2 . . . . A 35 VAL CG1 . 36220 1 492 . 1 . 1 36 36 VAL CG2 C 13 21.3800 0.3 . 2 . . . . A 35 VAL CG2 . 36220 1 493 . 1 . 1 36 36 VAL N N 15 121.5070 0.2 . 1 . . . . A 35 VAL N . 36220 1 494 . 1 . 1 37 37 GLY H H 1 9.1760 0.02 . 1 . . . . A 36 GLY H . 36220 1 495 . 1 . 1 37 37 GLY HA2 H 1 3.5460 0.02 . 2 . . . . A 36 GLY HA2 . 36220 1 496 . 1 . 1 37 37 GLY HA3 H 1 4.3940 0.02 . 2 . . . . A 36 GLY HA3 . 36220 1 497 . 1 . 1 37 37 GLY C C 13 173.8890 0.3 . 1 . . . . A 36 GLY C . 36220 1 498 . 1 . 1 37 37 GLY CA C 13 44.7430 0.3 . 1 . . . . A 36 GLY CA . 36220 1 499 . 1 . 1 37 37 GLY N N 15 115.4550 0.2 . 1 . . . . A 36 GLY N . 36220 1 500 . 1 . 1 38 38 GLN H H 1 7.6210 0.02 . 1 . . . . A 37 GLN H . 36220 1 501 . 1 . 1 38 38 GLN HA H 1 4.3610 0.02 . 1 . . . . A 37 GLN HA . 36220 1 502 . 1 . 1 38 38 GLN HB2 H 1 2.1620 0.02 . 2 . . . . A 37 GLN HB2 . 36220 1 503 . 1 . 1 38 38 GLN HB3 H 1 2.1620 0.02 . 2 . . . . A 37 GLN HB3 . 36220 1 504 . 1 . 1 38 38 GLN HG2 H 1 2.4140 0.02 . 2 . . . . A 37 GLN HG2 . 36220 1 505 . 1 . 1 38 38 GLN HG3 H 1 2.4140 0.02 . 2 . . . . A 37 GLN HG3 . 36220 1 506 . 1 . 1 38 38 GLN HE21 H 1 7.5590 0.02 . 2 . . . . A 37 GLN HE21 . 36220 1 507 . 1 . 1 38 38 GLN HE22 H 1 6.8210 0.02 . 2 . . . . A 37 GLN HE22 . 36220 1 508 . 1 . 1 38 38 GLN C C 13 175.5200 0.3 . 1 . . . . A 37 GLN C . 36220 1 509 . 1 . 1 38 38 GLN CA C 13 55.5900 0.3 . 1 . . . . A 37 GLN CA . 36220 1 510 . 1 . 1 38 38 GLN CB C 13 30.9430 0.3 . 1 . . . . A 37 GLN CB . 36220 1 511 . 1 . 1 38 38 GLN CG C 13 34.1400 0.3 . 1 . . . . A 37 GLN CG . 36220 1 512 . 1 . 1 38 38 GLN N N 15 119.4510 0.2 . 1 . . . . A 37 GLN N . 36220 1 513 . 1 . 1 38 38 GLN NE2 N 15 111.0200 0.2 . 1 . . . . A 37 GLN NE2 . 36220 1 514 . 1 . 1 39 39 GLN H H 1 8.6920 0.02 . 1 . . . . A 38 GLN H . 36220 1 515 . 1 . 1 39 39 GLN HA H 1 5.1020 0.02 . 1 . . . . A 38 GLN HA . 36220 1 516 . 1 . 1 39 39 GLN HB2 H 1 1.9830 0.02 . 2 . . . . A 38 GLN HB2 . 36220 1 517 . 1 . 1 39 39 GLN HB3 H 1 2.1390 0.02 . 2 . . . . A 38 GLN HB3 . 36220 1 518 . 1 . 1 39 39 GLN HG2 H 1 2.2180 0.02 . 2 . . . . A 38 GLN HG2 . 36220 1 519 . 1 . 1 39 39 GLN HG3 H 1 2.3030 0.02 . 2 . . . . A 38 GLN HG3 . 36220 1 520 . 1 . 1 39 39 GLN HE21 H 1 7.5920 0.02 . 2 . . . . A 38 GLN HE21 . 36220 1 521 . 1 . 1 39 39 GLN HE22 H 1 6.9320 0.02 . 2 . . . . A 38 GLN HE22 . 36220 1 522 . 1 . 1 39 39 GLN C C 13 175.7080 0.3 . 1 . . . . A 38 GLN C . 36220 1 523 . 1 . 1 39 39 GLN CA C 13 55.5640 0.3 . 1 . . . . A 38 GLN CA . 36220 1 524 . 1 . 1 39 39 GLN CB C 13 30.0460 0.3 . 1 . . . . A 38 GLN CB . 36220 1 525 . 1 . 1 39 39 GLN CG C 13 35.1600 0.3 . 1 . . . . A 38 GLN CG . 36220 1 526 . 1 . 1 39 39 GLN N N 15 123.2660 0.2 . 1 . . . . A 38 GLN N . 36220 1 527 . 1 . 1 39 39 GLN NE2 N 15 112.7100 0.2 . 1 . . . . A 38 GLN NE2 . 36220 1 528 . 1 . 1 40 40 VAL H H 1 9.2500 0.02 . 1 . . . . A 39 VAL H . 36220 1 529 . 1 . 1 40 40 VAL HA H 1 4.8010 0.02 . 1 . . . . A 39 VAL HA . 36220 1 530 . 1 . 1 40 40 VAL HB H 1 2.1400 0.02 . 1 . . . . A 39 VAL HB . 36220 1 531 . 1 . 1 40 40 VAL HG11 H 1 0.8390 0.02 . 2 . . . . A 39 VAL HG11 . 36220 1 532 . 1 . 1 40 40 VAL HG12 H 1 0.8390 0.02 . 2 . . . . A 39 VAL HG12 . 36220 1 533 . 1 . 1 40 40 VAL HG13 H 1 0.8390 0.02 . 2 . . . . A 39 VAL HG13 . 36220 1 534 . 1 . 1 40 40 VAL HG21 H 1 0.8850 0.02 . 2 . . . . A 39 VAL HG21 . 36220 1 535 . 1 . 1 40 40 VAL HG22 H 1 0.8850 0.02 . 2 . . . . A 39 VAL HG22 . 36220 1 536 . 1 . 1 40 40 VAL HG23 H 1 0.8850 0.02 . 2 . . . . A 39 VAL HG23 . 36220 1 537 . 1 . 1 40 40 VAL C C 13 173.1690 0.3 . 1 . . . . A 39 VAL C . 36220 1 538 . 1 . 1 40 40 VAL CA C 13 59.2880 0.3 . 1 . . . . A 39 VAL CA . 36220 1 539 . 1 . 1 40 40 VAL CB C 13 35.7900 0.3 . 1 . . . . A 39 VAL CB . 36220 1 540 . 1 . 1 40 40 VAL CG1 C 13 19.5500 0.3 . 2 . . . . A 39 VAL CG1 . 36220 1 541 . 1 . 1 40 40 VAL CG2 C 13 21.7500 0.3 . 2 . . . . A 39 VAL CG2 . 36220 1 542 . 1 . 1 40 40 VAL N N 15 121.7890 0.2 . 1 . . . . A 39 VAL N . 36220 1 543 . 1 . 1 41 41 SER H H 1 8.3520 0.02 . 1 . . . . A 40 SER H . 36220 1 544 . 1 . 1 41 41 SER HA H 1 5.5850 0.02 . 1 . . . . A 40 SER HA . 36220 1 545 . 1 . 1 41 41 SER HB2 H 1 3.7500 0.02 . 2 . . . . A 40 SER HB2 . 36220 1 546 . 1 . 1 41 41 SER HB3 H 1 3.7500 0.02 . 2 . . . . A 40 SER HB3 . 36220 1 547 . 1 . 1 41 41 SER C C 13 174.4150 0.3 . 1 . . . . A 40 SER C . 36220 1 548 . 1 . 1 41 41 SER CA C 13 56.0350 0.3 . 1 . . . . A 40 SER CA . 36220 1 549 . 1 . 1 41 41 SER CB C 13 64.9930 0.3 . 1 . . . . A 40 SER CB . 36220 1 550 . 1 . 1 41 41 SER N N 15 117.2750 0.2 . 1 . . . . A 40 SER N . 36220 1 551 . 1 . 1 42 42 PHE H H 1 8.6010 0.02 . 1 . . . . A 41 PHE H . 36220 1 552 . 1 . 1 42 42 PHE HA H 1 4.9950 0.02 . 1 . . . . A 41 PHE HA . 36220 1 553 . 1 . 1 42 42 PHE HB2 H 1 3.2640 0.02 . 2 . . . . A 41 PHE HB2 . 36220 1 554 . 1 . 1 42 42 PHE HB3 H 1 2.9240 0.02 . 2 . . . . A 41 PHE HB3 . 36220 1 555 . 1 . 1 42 42 PHE HD1 H 1 6.9220 0.02 . 3 . . . . A 41 PHE HD1 . 36220 1 556 . 1 . 1 42 42 PHE HD2 H 1 6.9220 0.02 . 3 . . . . A 41 PHE HD2 . 36220 1 557 . 1 . 1 42 42 PHE HE1 H 1 6.8000 0.02 . 3 . . . . A 41 PHE HE1 . 36220 1 558 . 1 . 1 42 42 PHE HE2 H 1 6.8000 0.02 . 3 . . . . A 41 PHE HE2 . 36220 1 559 . 1 . 1 42 42 PHE HZ H 1 6.8300 0.02 . 1 . . . . A 41 PHE HZ . 36220 1 560 . 1 . 1 42 42 PHE C C 13 172.3990 0.3 . 1 . . . . A 41 PHE C . 36220 1 561 . 1 . 1 42 42 PHE CA C 13 56.1190 0.3 . 1 . . . . A 41 PHE CA . 36220 1 562 . 1 . 1 42 42 PHE CB C 13 40.3000 0.3 . 1 . . . . A 41 PHE CB . 36220 1 563 . 1 . 1 42 42 PHE CD1 C 13 132.8470 0.3 . 3 . . . . A 41 PHE CD1 . 36220 1 564 . 1 . 1 42 42 PHE CD2 C 13 132.8470 0.3 . 3 . . . . A 41 PHE CD2 . 36220 1 565 . 1 . 1 42 42 PHE CE1 C 13 129.7420 0.3 . 3 . . . . A 41 PHE CE1 . 36220 1 566 . 1 . 1 42 42 PHE CE2 C 13 129.7420 0.3 . 3 . . . . A 41 PHE CE2 . 36220 1 567 . 1 . 1 42 42 PHE CZ C 13 130.1300 0.3 . 1 . . . . A 41 PHE CZ . 36220 1 568 . 1 . 1 42 42 PHE N N 15 120.7090 0.2 . 1 . . . . A 41 PHE N . 36220 1 569 . 1 . 1 43 43 GLU H H 1 9.2300 0.02 . 1 . . . . A 42 GLU H . 36220 1 570 . 1 . 1 43 43 GLU HA H 1 4.7160 0.02 . 1 . . . . A 42 GLU HA . 36220 1 571 . 1 . 1 43 43 GLU HB2 H 1 1.8180 0.02 . 2 . . . . A 42 GLU HB2 . 36220 1 572 . 1 . 1 43 43 GLU HB3 H 1 2.3760 0.02 . 2 . . . . A 42 GLU HB3 . 36220 1 573 . 1 . 1 43 43 GLU HG2 H 1 2.2960 0.02 . 2 . . . . A 42 GLU HG2 . 36220 1 574 . 1 . 1 43 43 GLU HG3 H 1 2.2750 0.02 . 2 . . . . A 42 GLU HG3 . 36220 1 575 . 1 . 1 43 43 GLU C C 13 177.9910 0.3 . 1 . . . . A 42 GLU C . 36220 1 576 . 1 . 1 43 43 GLU CA C 13 54.2350 0.3 . 1 . . . . A 42 GLU CA . 36220 1 577 . 1 . 1 43 43 GLU CB C 13 32.5240 0.3 . 1 . . . . A 42 GLU CB . 36220 1 578 . 1 . 1 43 43 GLU CG C 13 36.0660 0.3 . 1 . . . . A 42 GLU CG . 36220 1 579 . 1 . 1 43 43 GLU N N 15 119.2230 0.2 . 1 . . . . A 42 GLU N . 36220 1 580 . 1 . 1 44 44 ASN H H 1 8.9970 0.02 . 1 . . . . A 43 ASN H . 36220 1 581 . 1 . 1 44 44 ASN HA H 1 4.4900 0.02 . 1 . . . . A 43 ASN HA . 36220 1 582 . 1 . 1 44 44 ASN HB2 H 1 2.7950 0.02 . 2 . . . . A 43 ASN HB2 . 36220 1 583 . 1 . 1 44 44 ASN HB3 H 1 2.7950 0.02 . 2 . . . . A 43 ASN HB3 . 36220 1 584 . 1 . 1 44 44 ASN HD21 H 1 7.6750 0.02 . 2 . . . . A 43 ASN HD21 . 36220 1 585 . 1 . 1 44 44 ASN HD22 H 1 6.9370 0.02 . 2 . . . . A 43 ASN HD22 . 36220 1 586 . 1 . 1 44 44 ASN C C 13 178.3650 0.3 . 1 . . . . A 43 ASN C . 36220 1 587 . 1 . 1 44 44 ASN CA C 13 56.5710 0.3 . 1 . . . . A 43 ASN CA . 36220 1 588 . 1 . 1 44 44 ASN CB C 13 37.9950 0.3 . 1 . . . . A 43 ASN CB . 36220 1 589 . 1 . 1 44 44 ASN N N 15 120.8850 0.2 . 1 . . . . A 43 ASN N . 36220 1 590 . 1 . 1 44 44 ASN ND2 N 15 112.2000 0.2 . 1 . . . . A 43 ASN ND2 . 36220 1 591 . 1 . 1 45 45 GLU H H 1 8.9540 0.02 . 1 . . . . A 44 GLU H . 36220 1 592 . 1 . 1 45 45 GLU HA H 1 4.1580 0.02 . 1 . . . . A 44 GLU HA . 36220 1 593 . 1 . 1 45 45 GLU HB2 H 1 2.0800 0.02 . 2 . . . . A 44 GLU HB2 . 36220 1 594 . 1 . 1 45 45 GLU HB3 H 1 2.0350 0.02 . 2 . . . . A 44 GLU HB3 . 36220 1 595 . 1 . 1 45 45 GLU HG2 H 1 2.2860 0.02 . 2 . . . . A 44 GLU HG2 . 36220 1 596 . 1 . 1 45 45 GLU HG3 H 1 2.4480 0.02 . 2 . . . . A 44 GLU HG3 . 36220 1 597 . 1 . 1 45 45 GLU C C 13 176.4970 0.3 . 1 . . . . A 44 GLU C . 36220 1 598 . 1 . 1 45 45 GLU CA C 13 58.7760 0.3 . 1 . . . . A 44 GLU CA . 36220 1 599 . 1 . 1 45 45 GLU CB C 13 28.7630 0.3 . 1 . . . . A 44 GLU CB . 36220 1 600 . 1 . 1 45 45 GLU CG C 13 36.8590 0.3 . 1 . . . . A 44 GLU CG . 36220 1 601 . 1 . 1 45 45 GLU N N 15 117.1440 0.2 . 1 . . . . A 44 GLU N . 36220 1 602 . 1 . 1 46 46 ASP H H 1 8.0500 0.02 . 1 . . . . A 45 ASP H . 36220 1 603 . 1 . 1 46 46 ASP HA H 1 4.6080 0.02 . 1 . . . . A 45 ASP HA . 36220 1 604 . 1 . 1 46 46 ASP HB2 H 1 3.0520 0.02 . 2 . . . . A 45 ASP HB2 . 36220 1 605 . 1 . 1 46 46 ASP HB3 H 1 3.1490 0.02 . 2 . . . . A 45 ASP HB3 . 36220 1 606 . 1 . 1 46 46 ASP C C 13 175.9170 0.3 . 1 . . . . A 45 ASP C . 36220 1 607 . 1 . 1 46 46 ASP CA C 13 55.5290 0.3 . 1 . . . . A 45 ASP CA . 36220 1 608 . 1 . 1 46 46 ASP CB C 13 42.0060 0.3 . 1 . . . . A 45 ASP CB . 36220 1 609 . 1 . 1 46 46 ASP N N 15 117.7550 0.2 . 1 . . . . A 45 ASP N . 36220 1 610 . 1 . 1 47 47 ILE H H 1 7.4800 0.02 . 1 . . . . A 46 ILE H . 36220 1 611 . 1 . 1 47 47 ILE HA H 1 4.0720 0.02 . 1 . . . . A 46 ILE HA . 36220 1 612 . 1 . 1 47 47 ILE HB H 1 1.9470 0.02 . 1 . . . . A 46 ILE HB . 36220 1 613 . 1 . 1 47 47 ILE HG12 H 1 1.9310 0.02 . 2 . . . . A 46 ILE HG12 . 36220 1 614 . 1 . 1 47 47 ILE HG13 H 1 0.9580 0.02 . 2 . . . . A 46 ILE HG13 . 36220 1 615 . 1 . 1 47 47 ILE HG21 H 1 0.9760 0.02 . 1 . . . . A 46 ILE HG21 . 36220 1 616 . 1 . 1 47 47 ILE HG22 H 1 0.9760 0.02 . 1 . . . . A 46 ILE HG22 . 36220 1 617 . 1 . 1 47 47 ILE HG23 H 1 0.9760 0.02 . 1 . . . . A 46 ILE HG23 . 36220 1 618 . 1 . 1 47 47 ILE HD11 H 1 1.0610 0.02 . 1 . . . . A 46 ILE HD11 . 36220 1 619 . 1 . 1 47 47 ILE HD12 H 1 1.0610 0.02 . 1 . . . . A 46 ILE HD12 . 36220 1 620 . 1 . 1 47 47 ILE HD13 H 1 1.0610 0.02 . 1 . . . . A 46 ILE HD13 . 36220 1 621 . 1 . 1 47 47 ILE C C 13 176.6570 0.3 . 1 . . . . A 46 ILE C . 36220 1 622 . 1 . 1 47 47 ILE CA C 13 62.5710 0.3 . 1 . . . . A 46 ILE CA . 36220 1 623 . 1 . 1 47 47 ILE CB C 13 38.7180 0.3 . 1 . . . . A 46 ILE CB . 36220 1 624 . 1 . 1 47 47 ILE CG1 C 13 28.1370 0.3 . 1 . . . . A 46 ILE CG1 . 36220 1 625 . 1 . 1 47 47 ILE CG2 C 13 17.4910 0.3 . 1 . . . . A 46 ILE CG2 . 36220 1 626 . 1 . 1 47 47 ILE CD1 C 13 14.4320 0.3 . 1 . . . . A 46 ILE CD1 . 36220 1 627 . 1 . 1 47 47 ILE N N 15 119.6380 0.2 . 1 . . . . A 46 ILE N . 36220 1 628 . 1 . 1 48 48 TYR H H 1 9.1080 0.02 . 1 . . . . A 47 TYR H . 36220 1 629 . 1 . 1 48 48 TYR HA H 1 4.4370 0.02 . 1 . . . . A 47 TYR HA . 36220 1 630 . 1 . 1 48 48 TYR HB2 H 1 2.6550 0.02 . 2 . . . . A 47 TYR HB2 . 36220 1 631 . 1 . 1 48 48 TYR HB3 H 1 2.8910 0.02 . 2 . . . . A 47 TYR HB3 . 36220 1 632 . 1 . 1 48 48 TYR HD1 H 1 6.9840 0.02 . 3 . . . . A 47 TYR HD1 . 36220 1 633 . 1 . 1 48 48 TYR HD2 H 1 6.9840 0.02 . 3 . . . . A 47 TYR HD2 . 36220 1 634 . 1 . 1 48 48 TYR HE1 H 1 6.7540 0.02 . 3 . . . . A 47 TYR HE1 . 36220 1 635 . 1 . 1 48 48 TYR HE2 H 1 6.7540 0.02 . 3 . . . . A 47 TYR HE2 . 36220 1 636 . 1 . 1 48 48 TYR C C 13 175.2650 0.3 . 1 . . . . A 47 TYR C . 36220 1 637 . 1 . 1 48 48 TYR CA C 13 58.7570 0.3 . 1 . . . . A 47 TYR CA . 36220 1 638 . 1 . 1 48 48 TYR CB C 13 39.1240 0.3 . 1 . . . . A 47 TYR CB . 36220 1 639 . 1 . 1 48 48 TYR CD1 C 13 132.8470 0.3 . 3 . . . . A 47 TYR CD1 . 36220 1 640 . 1 . 1 48 48 TYR CD2 C 13 132.8470 0.3 . 3 . . . . A 47 TYR CD2 . 36220 1 641 . 1 . 1 48 48 TYR CE1 C 13 118.3980 0.3 . 3 . . . . A 47 TYR CE1 . 36220 1 642 . 1 . 1 48 48 TYR CE2 C 13 118.3980 0.3 . 3 . . . . A 47 TYR CE2 . 36220 1 643 . 1 . 1 48 48 TYR N N 15 128.6490 0.2 . 1 . . . . A 47 TYR N . 36220 1 644 . 1 . 1 49 49 ASN H H 1 8.2420 0.02 . 1 . . . . A 48 ASN H . 36220 1 645 . 1 . 1 49 49 ASN HA H 1 4.7260 0.02 . 1 . . . . A 48 ASN HA . 36220 1 646 . 1 . 1 49 49 ASN HB2 H 1 2.6660 0.02 . 2 . . . . A 48 ASN HB2 . 36220 1 647 . 1 . 1 49 49 ASN HB3 H 1 2.8060 0.02 . 2 . . . . A 48 ASN HB3 . 36220 1 648 . 1 . 1 49 49 ASN HD21 H 1 7.5310 0.02 . 2 . . . . A 48 ASN HD21 . 36220 1 649 . 1 . 1 49 49 ASN HD22 H 1 6.8250 0.02 . 2 . . . . A 48 ASN HD22 . 36220 1 650 . 1 . 1 49 49 ASN C C 13 174.4940 0.3 . 1 . . . . A 48 ASN C . 36220 1 651 . 1 . 1 49 49 ASN CA C 13 52.9100 0.3 . 1 . . . . A 48 ASN CA . 36220 1 652 . 1 . 1 49 49 ASN CB C 13 39.4230 0.3 . 1 . . . . A 48 ASN CB . 36220 1 653 . 1 . 1 49 49 ASN N N 15 120.7730 0.2 . 1 . . . . A 48 ASN N . 36220 1 654 . 1 . 1 49 49 ASN ND2 N 15 112.5830 0.2 . 1 . . . . A 48 ASN ND2 . 36220 1 655 . 1 . 1 50 50 VAL H H 1 8.1370 0.02 . 1 . . . . A 49 VAL H . 36220 1 656 . 1 . 1 50 50 VAL HA H 1 4.1040 0.02 . 1 . . . . A 49 VAL HA . 36220 1 657 . 1 . 1 50 50 VAL HB H 1 2.0540 0.02 . 1 . . . . A 49 VAL HB . 36220 1 658 . 1 . 1 50 50 VAL HG11 H 1 0.9240 0.02 . 2 . . . . A 49 VAL HG11 . 36220 1 659 . 1 . 1 50 50 VAL HG12 H 1 0.9240 0.02 . 2 . . . . A 49 VAL HG12 . 36220 1 660 . 1 . 1 50 50 VAL HG13 H 1 0.9240 0.02 . 2 . . . . A 49 VAL HG13 . 36220 1 661 . 1 . 1 50 50 VAL HG21 H 1 0.9240 0.02 . 2 . . . . A 49 VAL HG21 . 36220 1 662 . 1 . 1 50 50 VAL HG22 H 1 0.9240 0.02 . 2 . . . . A 49 VAL HG22 . 36220 1 663 . 1 . 1 50 50 VAL HG23 H 1 0.9240 0.02 . 2 . . . . A 49 VAL HG23 . 36220 1 664 . 1 . 1 50 50 VAL C C 13 176.1110 0.3 . 1 . . . . A 49 VAL C . 36220 1 665 . 1 . 1 50 50 VAL CA C 13 62.4730 0.3 . 1 . . . . A 49 VAL CA . 36220 1 666 . 1 . 1 50 50 VAL CB C 13 32.6780 0.3 . 1 . . . . A 49 VAL CB . 36220 1 667 . 1 . 1 50 50 VAL CG1 C 13 20.8890 0.3 . 2 . . . . A 49 VAL CG1 . 36220 1 668 . 1 . 1 50 50 VAL CG2 C 13 20.8890 0.3 . 2 . . . . A 49 VAL CG2 . 36220 1 669 . 1 . 1 50 50 VAL N N 15 120.8140 0.2 . 1 . . . . A 49 VAL N . 36220 1 670 . 1 . 1 51 51 ARG H H 1 8.4400 0.02 . 1 . . . . A 50 ARG H . 36220 1 671 . 1 . 1 51 51 ARG HA H 1 4.3080 0.02 . 1 . . . . A 50 ARG HA . 36220 1 672 . 1 . 1 51 51 ARG HB2 H 1 1.7320 0.02 . 2 . . . . A 50 ARG HB2 . 36220 1 673 . 1 . 1 51 51 ARG HB3 H 1 1.9040 0.02 . 2 . . . . A 50 ARG HB3 . 36220 1 674 . 1 . 1 51 51 ARG HG2 H 1 1.6470 0.02 . 2 . . . . A 50 ARG HG2 . 36220 1 675 . 1 . 1 51 51 ARG HG3 H 1 1.6470 0.02 . 2 . . . . A 50 ARG HG3 . 36220 1 676 . 1 . 1 51 51 ARG HD2 H 1 3.1610 0.02 . 2 . . . . A 50 ARG HD2 . 36220 1 677 . 1 . 1 51 51 ARG HD3 H 1 3.1610 0.02 . 2 . . . . A 50 ARG HD3 . 36220 1 678 . 1 . 1 51 51 ARG HE H 1 7.1780 0.02 . 1 . . . . A 50 ARG HE . 36220 1 679 . 1 . 1 51 51 ARG C C 13 176.6780 0.3 . 1 . . . . A 50 ARG C . 36220 1 680 . 1 . 1 51 51 ARG CA C 13 56.5680 0.3 . 1 . . . . A 50 ARG CA . 36220 1 681 . 1 . 1 51 51 ARG CB C 13 30.9520 0.3 . 1 . . . . A 50 ARG CB . 36220 1 682 . 1 . 1 51 51 ARG CG C 13 27.2310 0.3 . 1 . . . . A 50 ARG CG . 36220 1 683 . 1 . 1 51 51 ARG CD C 13 43.6550 0.3 . 1 . . . . A 50 ARG CD . 36220 1 684 . 1 . 1 51 51 ARG N N 15 124.8610 0.2 . 1 . . . . A 50 ARG N . 36220 1 685 . 1 . 1 51 51 ARG NE N 15 84.3200 0.2 . 1 . . . . A 50 ARG NE . 36220 1 686 . 1 . 1 52 52 GLY H H 1 8.3960 0.02 . 1 . . . . A 51 GLY H . 36220 1 687 . 1 . 1 52 52 GLY HA2 H 1 3.9430 0.02 . 2 . . . . A 51 GLY HA2 . 36220 1 688 . 1 . 1 52 52 GLY HA3 H 1 3.9430 0.02 . 2 . . . . A 51 GLY HA3 . 36220 1 689 . 1 . 1 52 52 GLY C C 13 173.0480 0.3 . 1 . . . . A 51 GLY C . 36220 1 690 . 1 . 1 52 52 GLY CA C 13 45.2920 0.3 . 1 . . . . A 51 GLY CA . 36220 1 691 . 1 . 1 52 52 GLY N N 15 111.1790 0.2 . 1 . . . . A 51 GLY N . 36220 1 692 . 1 . 1 53 53 LYS H H 1 7.8480 0.02 . 1 . . . . A 52 LYS H . 36220 1 693 . 1 . 1 53 53 LYS HA H 1 4.1680 0.02 . 1 . . . . A 52 LYS HA . 36220 1 694 . 1 . 1 53 53 LYS HB2 H 1 1.7010 0.02 . 2 . . . . A 52 LYS HB2 . 36220 1 695 . 1 . 1 53 53 LYS HB3 H 1 1.8290 0.02 . 2 . . . . A 52 LYS HB3 . 36220 1 696 . 1 . 1 53 53 LYS HG2 H 1 1.3660 0.02 . 2 . . . . A 52 LYS HG2 . 36220 1 697 . 1 . 1 53 53 LYS HG3 H 1 1.3660 0.02 . 2 . . . . A 52 LYS HG3 . 36220 1 698 . 1 . 1 53 53 LYS HD2 H 1 1.6640 0.02 . 2 . . . . A 52 LYS HD2 . 36220 1 699 . 1 . 1 53 53 LYS HD3 H 1 1.6640 0.02 . 2 . . . . A 52 LYS HD3 . 36220 1 700 . 1 . 1 53 53 LYS HE2 H 1 2.9920 0.02 . 2 . . . . A 52 LYS HE2 . 36220 1 701 . 1 . 1 53 53 LYS HE3 H 1 2.9920 0.02 . 2 . . . . A 52 LYS HE3 . 36220 1 702 . 1 . 1 53 53 LYS C C 13 171.4040 0.3 . 1 . . . . A 52 LYS C . 36220 1 703 . 1 . 1 53 53 LYS CA C 13 57.5970 0.3 . 1 . . . . A 52 LYS CA . 36220 1 704 . 1 . 1 53 53 LYS CB C 13 33.5420 0.3 . 1 . . . . A 52 LYS CB . 36220 1 705 . 1 . 1 53 53 LYS CG C 13 24.8530 0.3 . 1 . . . . A 52 LYS CG . 36220 1 706 . 1 . 1 53 53 LYS CD C 13 29.1570 0.3 . 1 . . . . A 52 LYS CD . 36220 1 707 . 1 . 1 53 53 LYS CE C 13 42.2950 0.3 . 1 . . . . A 52 LYS CE . 36220 1 708 . 1 . 1 53 53 LYS N N 15 125.9150 0.2 . 1 . . . . A 52 LYS N . 36220 1 stop_ save_