data_28112 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28112 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments of the Gp4 from the Pseudomonas phage LUZ24 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-04-10 _Entry.Accession_date 2020-04-10 _Entry.Last_release_date 2020-04-13 _Entry.Original_release_date 2020-04-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Alexander Volkov . N. . . 28112 2 Fredj Bdira . B. . . 28112 3 Remus Dame . T. . . 28112 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28112 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 229 28112 '15N chemical shifts' 47 28112 '1H chemical shifts' 366 28112 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-05-09 2020-04-10 update BMRB 'update entry citation' 28112 1 . . 2021-05-07 2020-04-10 original author 'original release' 28112 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28112 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34520554 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Novel anti-repression mechanism of H-NS proteins by a phage protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 49 _Citation.Journal_issue 18 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 10770 _Citation.Page_last 10784 _Citation.Year 2021 _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 'Fredj Ben' Bdira F. B. . . 28112 1 2 Amanda Erkelens A. M. . . 28112 1 3 Liang Qin L. . . . 28112 1 4 Alexander Volkov A. N. . . 28112 1 5 Andrew Lippa A. M. . . 28112 1 6 Nicholas Bowring N. . . . 28112 1 7 Aimee Boyle A. L. . . 28112 1 8 Marcellus Ubbink M. . . . 28112 1 9 Simon Dove S. L. . . 28112 1 10 Remus Dame R. T. . . 28112 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28112 _Assembly.ID 1 _Assembly.Name 'Gp4 from the Pseudomonas phage LUZ24' _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 'Gp4 from the Pseudomonas phage LUZ24' 1 $Gp4 A . yes native no no . . . 28112 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Gp4 _Entity.Sf_category entity _Entity.Sf_framecode Gp4 _Entity.Entry_ID 28112 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Gp4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKSPYEAAHERALMVNRLQK LTRMLRVHPDPKWKQEQQEL IKRLKK ; _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 46 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 28112 1 2 . LYS . 28112 1 3 . SER . 28112 1 4 . PRO . 28112 1 5 . TYR . 28112 1 6 . GLU . 28112 1 7 . ALA . 28112 1 8 . ALA . 28112 1 9 . HIS . 28112 1 10 . GLU . 28112 1 11 . ARG . 28112 1 12 . ALA . 28112 1 13 . LEU . 28112 1 14 . MET . 28112 1 15 . VAL . 28112 1 16 . ASN . 28112 1 17 . ARG . 28112 1 18 . LEU . 28112 1 19 . GLN . 28112 1 20 . LYS . 28112 1 21 . LEU . 28112 1 22 . THR . 28112 1 23 . ARG . 28112 1 24 . MET . 28112 1 25 . LEU . 28112 1 26 . ARG . 28112 1 27 . VAL . 28112 1 28 . HIS . 28112 1 29 . PRO . 28112 1 30 . ASP . 28112 1 31 . PRO . 28112 1 32 . LYS . 28112 1 33 . TRP . 28112 1 34 . LYS . 28112 1 35 . GLN . 28112 1 36 . GLU . 28112 1 37 . GLN . 28112 1 38 . GLN . 28112 1 39 . GLU . 28112 1 40 . LEU . 28112 1 41 . ILE . 28112 1 42 . LYS . 28112 1 43 . ARG . 28112 1 44 . LEU . 28112 1 45 . LYS . 28112 1 46 . LYS . 28112 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 28112 1 . LYS 2 2 28112 1 . SER 3 3 28112 1 . PRO 4 4 28112 1 . TYR 5 5 28112 1 . GLU 6 6 28112 1 . ALA 7 7 28112 1 . ALA 8 8 28112 1 . HIS 9 9 28112 1 . GLU 10 10 28112 1 . ARG 11 11 28112 1 . ALA 12 12 28112 1 . LEU 13 13 28112 1 . MET 14 14 28112 1 . VAL 15 15 28112 1 . ASN 16 16 28112 1 . ARG 17 17 28112 1 . LEU 18 18 28112 1 . GLN 19 19 28112 1 . LYS 20 20 28112 1 . LEU 21 21 28112 1 . THR 22 22 28112 1 . ARG 23 23 28112 1 . MET 24 24 28112 1 . LEU 25 25 28112 1 . ARG 26 26 28112 1 . VAL 27 27 28112 1 . HIS 28 28 28112 1 . PRO 29 29 28112 1 . ASP 30 30 28112 1 . PRO 31 31 28112 1 . LYS 32 32 28112 1 . TRP 33 33 28112 1 . LYS 34 34 28112 1 . GLN 35 35 28112 1 . GLU 36 36 28112 1 . GLN 37 37 28112 1 . GLN 38 38 28112 1 . GLU 39 39 28112 1 . LEU 40 40 28112 1 . ILE 41 41 28112 1 . LYS 42 42 28112 1 . ARG 43 43 28112 1 . LEU 44 44 28112 1 . LYS 45 45 28112 1 . LYS 46 46 28112 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 28112 _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 $Gp4 . 484895 virus . 'Pseudomonas phage LUZ24' 'Pseudomonas phage LUZ24' . . Viruses . Bruynoghevirus 'Pseudomonas phage LUZ24' . . . . . . . . . . . . . 28112 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 28112 _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 $Gp4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET30b . . . 28112 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28112 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Gp4 '[U-13C; U-15N]' . . 1 $Gp4 . . 1 . . mM . . . . 28112 1 2 Bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 28112 1 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 28112 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 28112 1 5 D2O '[U-100% 2H]' . . . . . . 6 . . % . . . . 28112 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 28112 _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' 170 . mM 28112 1 pH 6 . pH 28112 1 pressure 1 . atm 28112 1 temperature 293 . K 28112 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28112 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28112 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 28112 1 processing . 28112 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28112 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 28112 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 28112 2 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 28112 _Software.ID 3 _Software.Type . _Software.Name CCPN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 28112 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28112 3 'data analysis' . 28112 3 'peak picking' . 28112 3 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 28112 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 28112 _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 spectrometer_1 Bruker Avance . 800 . . . 28112 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 28112 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28112 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28112 1 3 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28112 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28112 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28112 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28112 1 7 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28112 1 8 '3D H(C)CH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28112 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28112 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28112 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28112 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28112 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28112 1 14 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28112 1 15 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28112 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 28112 _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 0.00 na indirect 0.251449530 . . . . . 28112 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28112 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28112 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 28112 _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 $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' . . . 28112 1 2 '3D HNCACB' . . . 28112 1 3 '3D HN(CO)CACB' . . . 28112 1 4 '3D HNCO' . . . 28112 1 5 '3D HN(CA)CO' . . . 28112 1 6 '3D HBHA(CO)NH' . . . 28112 1 7 '3D (H)CCH-TOCSY' . . . 28112 1 8 '3D H(C)CH-TOCSY' . . . 28112 1 9 '2D 1H-13C HSQC' . . . 28112 1 10 '2D 1H-13C HSQC aromatic' . . . 28112 1 11 '3D 1H-15N NOESY' . . . 28112 1 12 '3D 1H-13C NOESY aliphatic' . . . 28112 1 13 '3D 1H-13C NOESY aromatic' . . . 28112 1 14 '2D (HB)CB(CGCD)HD' . . . 28112 1 15 '2D (HB)CB(CGCDCE)HE' . . . 28112 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 1 1 MET HA H 1 4.025 0.04 . 1 . . . . . 1 MET HA . 28112 1 2 . 1 . 1 1 1 MET HB2 H 1 2.049 0.04 . 1 . . . . . 1 MET HB2 . 28112 1 3 . 1 . 1 1 1 MET HB3 H 1 2.049 0.04 . 1 . . . . . 1 MET HB3 . 28112 1 4 . 1 . 1 1 1 MET HG2 H 1 2.479 0.04 . 2 . . . . . 1 MET HG2 . 28112 1 5 . 1 . 1 1 1 MET HG3 H 1 2.506 0.04 . 2 . . . . . 1 MET HG3 . 28112 1 6 . 1 . 1 1 1 MET HE1 H 1 2.004 0.04 . 1 . . . . . 1 MET HE* . 28112 1 7 . 1 . 1 1 1 MET HE2 H 1 2.004 0.04 . 1 . . . . . 1 MET HE* . 28112 1 8 . 1 . 1 1 1 MET HE3 H 1 2.004 0.04 . 1 . . . . . 1 MET HE* . 28112 1 9 . 1 . 1 1 1 MET CA C 13 55.030 0.4 . 1 . . . . . 1 MET CA . 28112 1 10 . 1 . 1 1 1 MET CB C 13 32.945 0.4 . 1 . . . . . 1 MET CB . 28112 1 11 . 1 . 1 1 1 MET CG C 13 30.667 0.4 . 1 . . . . . 1 MET CG . 28112 1 12 . 1 . 1 1 1 MET CE C 13 16.706 0.4 . 1 . . . . . 1 MET CE . 28112 1 13 . 1 . 1 2 2 LYS HA H 1 4.337 0.04 . 1 . . . . . 2 LYS HA . 28112 1 14 . 1 . 1 2 2 LYS HB2 H 1 1.674 0.04 . 1 . . . . . 2 LYS HB2 . 28112 1 15 . 1 . 1 2 2 LYS HB3 H 1 1.674 0.04 . 1 . . . . . 2 LYS HB3 . 28112 1 16 . 1 . 1 2 2 LYS HG2 H 1 1.364 0.04 . 1 . . . . . 2 LYS HG2 . 28112 1 17 . 1 . 1 2 2 LYS HG3 H 1 1.364 0.04 . 1 . . . . . 2 LYS HG3 . 28112 1 18 . 1 . 1 2 2 LYS HD2 H 1 1.523 0.04 . 1 . . . . . 2 LYS HD2 . 28112 1 19 . 1 . 1 2 2 LYS HD3 H 1 1.523 0.04 . 1 . . . . . 2 LYS HD3 . 28112 1 20 . 1 . 1 2 2 LYS HE2 H 1 2.865 0.04 . 1 . . . . . 2 LYS HE2 . 28112 1 21 . 1 . 1 2 2 LYS HE3 H 1 2.865 0.04 . 1 . . . . . 2 LYS HE3 . 28112 1 22 . 1 . 1 2 2 LYS C C 13 176.035 0.4 . 1 . . . . . 2 LYS C . 28112 1 23 . 1 . 1 2 2 LYS CA C 13 56.230 0.4 . 1 . . . . . 2 LYS CA . 28112 1 24 . 1 . 1 2 2 LYS CB C 13 33.226 0.4 . 1 . . . . . 2 LYS CB . 28112 1 25 . 1 . 1 2 2 LYS CG C 13 24.815 0.4 . 1 . . . . . 2 LYS CG . 28112 1 26 . 1 . 1 2 2 LYS CD C 13 29.097 0.4 . 1 . . . . . 2 LYS CD . 28112 1 27 . 1 . 1 2 2 LYS CE C 13 41.933 0.4 . 1 . . . . . 2 LYS CE . 28112 1 28 . 1 . 1 3 3 SER H H 1 8.773 0.04 . 1 . . . . . 3 SER H . 28112 1 29 . 1 . 1 3 3 SER HA H 1 4.662 0.04 . 1 . . . . . 3 SER HA . 28112 1 30 . 1 . 1 3 3 SER HB2 H 1 3.869 0.04 . 2 . . . . . 3 SER HB2 . 28112 1 31 . 1 . 1 3 3 SER HB3 H 1 4.091 0.04 . 2 . . . . . 3 SER HB3 . 28112 1 32 . 1 . 1 3 3 SER C C 13 173.303 0.4 . 1 . . . . . 3 SER C . 28112 1 33 . 1 . 1 3 3 SER CA C 13 56.391 0.4 . 1 . . . . . 3 SER CA . 28112 1 34 . 1 . 1 3 3 SER CB C 13 63.364 0.4 . 1 . . . . . 3 SER CB . 28112 1 35 . 1 . 1 3 3 SER N N 15 120.701 0.2 . 1 . . . . . 3 SER N . 28112 1 36 . 1 . 1 4 4 PRO HA H 1 4.275 0.04 . 1 . . . . . 4 PRO HA . 28112 1 37 . 1 . 1 4 4 PRO HB2 H 1 1.722 0.04 . 2 . . . . . 4 PRO HB2 . 28112 1 38 . 1 . 1 4 4 PRO HB3 H 1 2.209 0.04 . 2 . . . . . 4 PRO HB3 . 28112 1 39 . 1 . 1 4 4 PRO HG2 H 1 1.872 0.04 . 2 . . . . . 4 PRO HG2 . 28112 1 40 . 1 . 1 4 4 PRO HG3 H 1 1.896 0.04 . 2 . . . . . 4 PRO HG3 . 28112 1 41 . 1 . 1 4 4 PRO HD2 H 1 3.729 0.04 . 2 . . . . . 4 PRO HD2 . 28112 1 42 . 1 . 1 4 4 PRO HD3 H 1 3.789 0.04 . 2 . . . . . 4 PRO HD3 . 28112 1 43 . 1 . 1 4 4 PRO C C 13 178.369 0.4 . 1 . . . . . 4 PRO C . 28112 1 44 . 1 . 1 4 4 PRO CA C 13 64.685 0.4 . 1 . . . . . 4 PRO CA . 28112 1 45 . 1 . 1 4 4 PRO CB C 13 31.680 0.4 . 1 . . . . . 4 PRO CB . 28112 1 46 . 1 . 1 4 4 PRO CG C 13 27.575 0.4 . 1 . . . . . 4 PRO CG . 28112 1 47 . 1 . 1 4 4 PRO CD C 13 50.540 0.4 . 1 . . . . . 4 PRO CD . 28112 1 48 . 1 . 1 5 5 TYR H H 1 7.935 0.04 . 1 . . . . . 5 TYR H . 28112 1 49 . 1 . 1 5 5 TYR HA H 1 4.283 0.04 . 1 . . . . . 5 TYR HA . 28112 1 50 . 1 . 1 5 5 TYR HB2 H 1 2.872 0.04 . 2 . . . . . 5 TYR HB2 . 28112 1 51 . 1 . 1 5 5 TYR HB3 H 1 2.932 0.04 . 2 . . . . . 5 TYR HB3 . 28112 1 52 . 1 . 1 5 5 TYR HD1 H 1 6.983 0.04 . 3 . . . . . 5 TYR HD* . 28112 1 53 . 1 . 1 5 5 TYR HD2 H 1 6.983 0.04 . 3 . . . . . 5 TYR HD* . 28112 1 54 . 1 . 1 5 5 TYR HE1 H 1 6.683 0.04 . 3 . . . . . 5 TYR HE* . 28112 1 55 . 1 . 1 5 5 TYR HE2 H 1 6.683 0.04 . 3 . . . . . 5 TYR HE* . 28112 1 56 . 1 . 1 5 5 TYR C C 13 177.244 0.4 . 1 . . . . . 5 TYR C . 28112 1 57 . 1 . 1 5 5 TYR CA C 13 59.751 0.4 . 1 . . . . . 5 TYR CA . 28112 1 58 . 1 . 1 5 5 TYR CB C 13 38.318 0.4 . 1 . . . . . 5 TYR CB . 28112 1 59 . 1 . 1 5 5 TYR CD1 C 13 133.085 0.4 . 3 . . . . . 5 TYR CD* . 28112 1 60 . 1 . 1 5 5 TYR CD2 C 13 133.085 0.4 . 3 . . . . . 5 TYR CD* . 28112 1 61 . 1 . 1 5 5 TYR CE1 C 13 118.082 0.4 . 3 . . . . . 5 TYR CE* . 28112 1 62 . 1 . 1 5 5 TYR CE2 C 13 118.082 0.4 . 3 . . . . . 5 TYR CE* . 28112 1 63 . 1 . 1 5 5 TYR N N 15 118.437 0.2 . 1 . . . . . 5 TYR N . 28112 1 64 . 1 . 1 6 6 GLU H H 1 7.927 0.04 . 1 . . . . . 6 GLU H . 28112 1 65 . 1 . 1 6 6 GLU HA H 1 3.980 0.04 . 1 . . . . . 6 GLU HA . 28112 1 66 . 1 . 1 6 6 GLU HB2 H 1 1.974 0.04 . 2 . . . . . 6 GLU HB2 . 28112 1 67 . 1 . 1 6 6 GLU HB3 H 1 2.055 0.04 . 2 . . . . . 6 GLU HB3 . 28112 1 68 . 1 . 1 6 6 GLU HG2 H 1 2.209 0.04 . 2 . . . . . 6 GLU HG2 . 28112 1 69 . 1 . 1 6 6 GLU HG3 H 1 2.276 0.04 . 2 . . . . . 6 GLU HG3 . 28112 1 70 . 1 . 1 6 6 GLU C C 13 178.301 0.4 . 1 . . . . . 6 GLU C . 28112 1 71 . 1 . 1 6 6 GLU CA C 13 58.328 0.4 . 1 . . . . . 6 GLU CA . 28112 1 72 . 1 . 1 6 6 GLU CB C 13 29.902 0.4 . 1 . . . . . 6 GLU CB . 28112 1 73 . 1 . 1 6 6 GLU CG C 13 36.537 0.4 . 1 . . . . . 6 GLU CG . 28112 1 74 . 1 . 1 6 6 GLU N N 15 121.948 0.2 . 1 . . . . . 6 GLU N . 28112 1 75 . 1 . 1 7 7 ALA H H 1 8.396 0.04 . 1 . . . . . 7 ALA H . 28112 1 76 . 1 . 1 7 7 ALA HA H 1 4.030 0.04 . 1 . . . . . 7 ALA HA . 28112 1 77 . 1 . 1 7 7 ALA HB1 H 1 1.335 0.04 . 1 . . . . . 7 ALA HB* . 28112 1 78 . 1 . 1 7 7 ALA HB2 H 1 1.335 0.04 . 1 . . . . . 7 ALA HB* . 28112 1 79 . 1 . 1 7 7 ALA HB3 H 1 1.335 0.04 . 1 . . . . . 7 ALA HB* . 28112 1 80 . 1 . 1 7 7 ALA C C 13 179.806 0.4 . 1 . . . . . 7 ALA C . 28112 1 81 . 1 . 1 7 7 ALA CA C 13 54.572 0.4 . 1 . . . . . 7 ALA CA . 28112 1 82 . 1 . 1 7 7 ALA CB C 13 18.223 0.4 . 1 . . . . . 7 ALA CB . 28112 1 83 . 1 . 1 7 7 ALA N N 15 123.082 0.2 . 1 . . . . . 7 ALA N . 28112 1 84 . 1 . 1 8 8 ALA H H 1 8.069 0.04 . 1 . . . . . 8 ALA H . 28112 1 85 . 1 . 1 8 8 ALA HA H 1 4.049 0.04 . 1 . . . . . 8 ALA HA . 28112 1 86 . 1 . 1 8 8 ALA HB1 H 1 1.352 0.04 . 1 . . . . . 8 ALA HB* . 28112 1 87 . 1 . 1 8 8 ALA HB2 H 1 1.352 0.04 . 1 . . . . . 8 ALA HB* . 28112 1 88 . 1 . 1 8 8 ALA HB3 H 1 1.352 0.04 . 1 . . . . . 8 ALA HB* . 28112 1 89 . 1 . 1 8 8 ALA C C 13 180.153 0.4 . 1 . . . . . 8 ALA C . 28112 1 90 . 1 . 1 8 8 ALA CA C 13 54.579 0.4 . 1 . . . . . 8 ALA CA . 28112 1 91 . 1 . 1 8 8 ALA CB C 13 17.998 0.4 . 1 . . . . . 8 ALA CB . 28112 1 92 . 1 . 1 8 8 ALA N N 15 121.142 0.2 . 1 . . . . . 8 ALA N . 28112 1 93 . 1 . 1 9 9 HIS H H 1 8.142 0.04 . 1 . . . . . 9 HIS H . 28112 1 94 . 1 . 1 9 9 HIS HA H 1 4.307 0.04 . 1 . . . . . 9 HIS HA . 28112 1 95 . 1 . 1 9 9 HIS HB2 H 1 2.948 0.04 . 2 . . . . . 9 HIS HB2 . 28112 1 96 . 1 . 1 9 9 HIS HB3 H 1 3.153 0.04 . 2 . . . . . 9 HIS HB3 . 28112 1 97 . 1 . 1 9 9 HIS HD2 H 1 7.125 0.04 . 1 . . . . . 9 HIS HD2 . 28112 1 98 . 1 . 1 9 9 HIS HE1 H 1 8.292 0.04 . 1 . . . . . 9 HIS HE1 . 28112 1 99 . 1 . 1 9 9 HIS C C 13 176.321 0.4 . 1 . . . . . 9 HIS C . 28112 1 100 . 1 . 1 9 9 HIS CA C 13 58.350 0.4 . 1 . . . . . 9 HIS CA . 28112 1 101 . 1 . 1 9 9 HIS CB C 13 28.575 0.4 . 1 . . . . . 9 HIS CB . 28112 1 102 . 1 . 1 9 9 HIS CD2 C 13 119.821 0.4 . 1 . . . . . 9 HIS CD2 . 28112 1 103 . 1 . 1 9 9 HIS CE1 C 13 136.854 0.4 . 1 . . . . . 9 HIS CE1 . 28112 1 104 . 1 . 1 9 9 HIS N N 15 119.073 0.2 . 1 . . . . . 9 HIS N . 28112 1 105 . 1 . 1 10 10 GLU H H 1 8.110 0.04 . 1 . . . . . 10 GLU H . 28112 1 106 . 1 . 1 10 10 GLU HA H 1 3.827 0.04 . 1 . . . . . 10 GLU HA . 28112 1 107 . 1 . 1 10 10 GLU HB2 H 1 2.000 0.04 . 1 . . . . . 10 GLU HB2 . 28112 1 108 . 1 . 1 10 10 GLU HB3 H 1 2.000 0.04 . 1 . . . . . 10 GLU HB3 . 28112 1 109 . 1 . 1 10 10 GLU HG2 H 1 2.171 0.04 . 2 . . . . . 10 GLU HG2 . 28112 1 110 . 1 . 1 10 10 GLU HG3 H 1 2.291 0.04 . 2 . . . . . 10 GLU HG3 . 28112 1 111 . 1 . 1 10 10 GLU C C 13 178.848 0.4 . 1 . . . . . 10 GLU C . 28112 1 112 . 1 . 1 10 10 GLU CA C 13 59.124 0.4 . 1 . . . . . 10 GLU CA . 28112 1 113 . 1 . 1 10 10 GLU CB C 13 29.417 0.4 . 1 . . . . . 10 GLU CB . 28112 1 114 . 1 . 1 10 10 GLU CG C 13 36.315 0.4 . 1 . . . . . 10 GLU CG . 28112 1 115 . 1 . 1 10 10 GLU N N 15 119.237 0.2 . 1 . . . . . 10 GLU N . 28112 1 116 . 1 . 1 11 11 ARG H H 1 7.947 0.04 . 1 . . . . . 11 ARG H . 28112 1 117 . 1 . 1 11 11 ARG HA H 1 3.895 0.04 . 1 . . . . . 11 ARG HA . 28112 1 118 . 1 . 1 11 11 ARG HB2 H 1 1.739 0.04 . 2 . . . . . 11 ARG HB2 . 28112 1 119 . 1 . 1 11 11 ARG HB3 H 1 1.773 0.04 . 2 . . . . . 11 ARG HB3 . 28112 1 120 . 1 . 1 11 11 ARG HD2 H 1 3.069 0.04 . 1 . . . . . 11 ARG HD2 . 28112 1 121 . 1 . 1 11 11 ARG HD3 H 1 3.069 0.04 . 1 . . . . . 11 ARG HD3 . 28112 1 122 . 1 . 1 11 11 ARG C C 13 177.573 0.4 . 1 . . . . . 11 ARG C . 28112 1 123 . 1 . 1 11 11 ARG CA C 13 59.775 0.4 . 1 . . . . . 11 ARG CA . 28112 1 124 . 1 . 1 11 11 ARG CB C 13 29.608 0.4 . 1 . . . . . 11 ARG CB . 28112 1 125 . 1 . 1 11 11 ARG CD C 13 43.170 0.4 . 1 . . . . . 11 ARG CD . 28112 1 126 . 1 . 1 11 11 ARG N N 15 119.826 0.2 . 1 . . . . . 11 ARG N . 28112 1 127 . 1 . 1 12 12 ALA H H 1 7.848 0.04 . 1 . . . . . 12 ALA H . 28112 1 128 . 1 . 1 12 12 ALA HA H 1 3.954 0.04 . 1 . . . . . 12 ALA HA . 28112 1 129 . 1 . 1 12 12 ALA HB1 H 1 1.354 0.04 . 1 . . . . . 12 ALA HB* . 28112 1 130 . 1 . 1 12 12 ALA HB2 H 1 1.354 0.04 . 1 . . . . . 12 ALA HB* . 28112 1 131 . 1 . 1 12 12 ALA HB3 H 1 1.354 0.04 . 1 . . . . . 12 ALA HB* . 28112 1 132 . 1 . 1 12 12 ALA C C 13 180.484 0.4 . 1 . . . . . 12 ALA C . 28112 1 133 . 1 . 1 12 12 ALA CA C 13 55.055 0.4 . 1 . . . . . 12 ALA CA . 28112 1 134 . 1 . 1 12 12 ALA CB C 13 17.685 0.4 . 1 . . . . . 12 ALA CB . 28112 1 135 . 1 . 1 12 12 ALA N N 15 121.062 0.2 . 1 . . . . . 12 ALA N . 28112 1 136 . 1 . 1 13 13 LEU H H 1 7.649 0.04 . 1 . . . . . 13 LEU H . 28112 1 137 . 1 . 1 13 13 LEU HA H 1 3.922 0.04 . 1 . . . . . 13 LEU HA . 28112 1 138 . 1 . 1 13 13 LEU HB2 H 1 1.369 0.04 . 2 . . . . . 13 LEU HB2 . 28112 1 139 . 1 . 1 13 13 LEU HB3 H 1 1.751 0.04 . 2 . . . . . 13 LEU HB3 . 28112 1 140 . 1 . 1 13 13 LEU HG H 1 1.447 0.04 . 1 . . . . . 13 LEU HG . 28112 1 141 . 1 . 1 13 13 LEU HD11 H 1 0.672 0.04 . 2 . . . . . 13 LEU HD1* . 28112 1 142 . 1 . 1 13 13 LEU HD12 H 1 0.672 0.04 . 2 . . . . . 13 LEU HD1* . 28112 1 143 . 1 . 1 13 13 LEU HD13 H 1 0.672 0.04 . 2 . . . . . 13 LEU HD1* . 28112 1 144 . 1 . 1 13 13 LEU HD21 H 1 0.703 0.04 . 2 . . . . . 13 LEU HD2* . 28112 1 145 . 1 . 1 13 13 LEU HD22 H 1 0.703 0.04 . 2 . . . . . 13 LEU HD2* . 28112 1 146 . 1 . 1 13 13 LEU HD23 H 1 0.703 0.04 . 2 . . . . . 13 LEU HD2* . 28112 1 147 . 1 . 1 13 13 LEU C C 13 180.542 0.4 . 1 . . . . . 13 LEU C . 28112 1 148 . 1 . 1 13 13 LEU CA C 13 57.862 0.4 . 1 . . . . . 13 LEU CA . 28112 1 149 . 1 . 1 13 13 LEU CB C 13 41.522 0.4 . 1 . . . . . 13 LEU CB . 28112 1 150 . 1 . 1 13 13 LEU CG C 13 26.581 0.4 . 1 . . . . . 13 LEU CG . 28112 1 151 . 1 . 1 13 13 LEU CD1 C 13 25.177 0.4 . 2 . . . . . 13 LEU CD1 . 28112 1 152 . 1 . 1 13 13 LEU CD2 C 13 22.832 0.4 . 2 . . . . . 13 LEU CD2 . 28112 1 153 . 1 . 1 13 13 LEU N N 15 117.917 0.2 . 1 . . . . . 13 LEU N . 28112 1 154 . 1 . 1 14 14 MET H H 1 7.722 0.04 . 1 . . . . . 14 MET H . 28112 1 155 . 1 . 1 14 14 MET HA H 1 3.995 0.04 . 1 . . . . . 14 MET HA . 28112 1 156 . 1 . 1 14 14 MET HB2 H 1 1.864 0.04 . 2 . . . . . 14 MET HB2 . 28112 1 157 . 1 . 1 14 14 MET HB3 H 1 2.402 0.04 . 2 . . . . . 14 MET HB3 . 28112 1 158 . 1 . 1 14 14 MET HG2 H 1 2.319 0.04 . 2 . . . . . 14 MET HG2 . 28112 1 159 . 1 . 1 14 14 MET HG3 H 1 2.700 0.04 . 2 . . . . . 14 MET HG3 . 28112 1 160 . 1 . 1 14 14 MET HE1 H 1 1.906 0.04 . 1 . . . . . 14 MET HE* . 28112 1 161 . 1 . 1 14 14 MET HE2 H 1 1.906 0.04 . 1 . . . . . 14 MET HE* . 28112 1 162 . 1 . 1 14 14 MET HE3 H 1 1.906 0.04 . 1 . . . . . 14 MET HE* . 28112 1 163 . 1 . 1 14 14 MET C C 13 177.664 0.4 . 1 . . . . . 14 MET C . 28112 1 164 . 1 . 1 14 14 MET CA C 13 59.744 0.4 . 1 . . . . . 14 MET CA . 28112 1 165 . 1 . 1 14 14 MET CB C 13 34.396 0.4 . 1 . . . . . 14 MET CB . 28112 1 166 . 1 . 1 14 14 MET CG C 13 32.397 0.4 . 1 . . . . . 14 MET CG . 28112 1 167 . 1 . 1 14 14 MET CE C 13 16.880 0.4 . 1 . . . . . 14 MET CE . 28112 1 168 . 1 . 1 14 14 MET N N 15 120.541 0.2 . 1 . . . . . 14 MET N . 28112 1 169 . 1 . 1 15 15 VAL H H 1 8.464 0.04 . 1 . . . . . 15 VAL H . 28112 1 170 . 1 . 1 15 15 VAL HA H 1 3.400 0.04 . 1 . . . . . 15 VAL HA . 28112 1 171 . 1 . 1 15 15 VAL HB H 1 2.020 0.04 . 1 . . . . . 15 VAL HB . 28112 1 172 . 1 . 1 15 15 VAL HG11 H 1 0.821 0.04 . 2 . . . . . 15 VAL HG1* . 28112 1 173 . 1 . 1 15 15 VAL HG12 H 1 0.821 0.04 . 2 . . . . . 15 VAL HG1* . 28112 1 174 . 1 . 1 15 15 VAL HG13 H 1 0.821 0.04 . 2 . . . . . 15 VAL HG1* . 28112 1 175 . 1 . 1 15 15 VAL HG21 H 1 0.972 0.04 . 2 . . . . . 15 VAL HG2* . 28112 1 176 . 1 . 1 15 15 VAL HG22 H 1 0.972 0.04 . 2 . . . . . 15 VAL HG2* . 28112 1 177 . 1 . 1 15 15 VAL HG23 H 1 0.972 0.04 . 2 . . . . . 15 VAL HG2* . 28112 1 178 . 1 . 1 15 15 VAL C C 13 178.586 0.4 . 1 . . . . . 15 VAL C . 28112 1 179 . 1 . 1 15 15 VAL CA C 13 66.752 0.4 . 1 . . . . . 15 VAL CA . 28112 1 180 . 1 . 1 15 15 VAL CB C 13 31.846 0.4 . 1 . . . . . 15 VAL CB . 28112 1 181 . 1 . 1 15 15 VAL CG1 C 13 21.054 0.4 . 2 . . . . . 15 VAL CG1 . 28112 1 182 . 1 . 1 15 15 VAL CG2 C 13 23.343 0.4 . 2 . . . . . 15 VAL CG2 . 28112 1 183 . 1 . 1 15 15 VAL N N 15 120.495 0.2 . 1 . . . . . 15 VAL N . 28112 1 184 . 1 . 1 16 16 ASN H H 1 8.018 0.04 . 1 . . . . . 16 ASN H . 28112 1 185 . 1 . 1 16 16 ASN HA H 1 4.323 0.04 . 1 . . . . . 16 ASN HA . 28112 1 186 . 1 . 1 16 16 ASN HB2 H 1 2.673 0.04 . 2 . . . . . 16 ASN HB2 . 28112 1 187 . 1 . 1 16 16 ASN HB3 H 1 2.754 0.04 . 2 . . . . . 16 ASN HB3 . 28112 1 188 . 1 . 1 16 16 ASN HD21 H 1 6.813 0.04 . 2 . . . . . 16 ASN HD21 . 28112 1 189 . 1 . 1 16 16 ASN HD22 H 1 7.504 0.04 . 2 . . . . . 16 ASN HD22 . 28112 1 190 . 1 . 1 16 16 ASN C C 13 177.789 0.4 . 1 . . . . . 16 ASN C . 28112 1 191 . 1 . 1 16 16 ASN CA C 13 56.208 0.4 . 1 . . . . . 16 ASN CA . 28112 1 192 . 1 . 1 16 16 ASN CB C 13 38.253 0.4 . 1 . . . . . 16 ASN CB . 28112 1 193 . 1 . 1 16 16 ASN CG C 13 175.643 0.4 . 1 . . . . . 16 ASN CG . 28112 1 194 . 1 . 1 16 16 ASN N N 15 118.584 0.2 . 1 . . . . . 16 ASN N . 28112 1 195 . 1 . 1 16 16 ASN ND2 N 15 111.580 0.2 . 1 . . . . . 16 ASN ND2 . 28112 1 196 . 1 . 1 17 17 ARG H H 1 7.948 0.04 . 1 . . . . . 17 ARG H . 28112 1 197 . 1 . 1 17 17 ARG HA H 1 4.018 0.04 . 1 . . . . . 17 ARG HA . 28112 1 198 . 1 . 1 17 17 ARG HB2 H 1 1.835 0.04 . 2 . . . . . 17 ARG HB2 . 28112 1 199 . 1 . 1 17 17 ARG HB3 H 1 2.020 0.04 . 2 . . . . . 17 ARG HB3 . 28112 1 200 . 1 . 1 17 17 ARG HG2 H 1 1.372 0.04 . 2 . . . . . 17 ARG HG2 . 28112 1 201 . 1 . 1 17 17 ARG HG3 H 1 1.673 0.04 . 2 . . . . . 17 ARG HG3 . 28112 1 202 . 1 . 1 17 17 ARG HD2 H 1 2.945 0.04 . 2 . . . . . 17 ARG HD2 . 28112 1 203 . 1 . 1 17 17 ARG HD3 H 1 3.095 0.04 . 2 . . . . . 17 ARG HD3 . 28112 1 204 . 1 . 1 17 17 ARG C C 13 177.526 0.4 . 1 . . . . . 17 ARG C . 28112 1 205 . 1 . 1 17 17 ARG CA C 13 58.031 0.4 . 1 . . . . . 17 ARG CA . 28112 1 206 . 1 . 1 17 17 ARG CB C 13 29.152 0.4 . 1 . . . . . 17 ARG CB . 28112 1 207 . 1 . 1 17 17 ARG CG C 13 26.500 0.4 . 1 . . . . . 17 ARG CG . 28112 1 208 . 1 . 1 17 17 ARG CD C 13 43.224 0.4 . 1 . . . . . 17 ARG CD . 28112 1 209 . 1 . 1 17 17 ARG N N 15 121.870 0.2 . 1 . . . . . 17 ARG N . 28112 1 210 . 1 . 1 18 18 LEU H H 1 8.554 0.04 . 1 . . . . . 18 LEU H . 28112 1 211 . 1 . 1 18 18 LEU HA H 1 3.917 0.04 . 1 . . . . . 18 LEU HA . 28112 1 212 . 1 . 1 18 18 LEU HB2 H 1 1.426 0.04 . 2 . . . . . 18 LEU HB2 . 28112 1 213 . 1 . 1 18 18 LEU HB3 H 1 1.972 0.04 . 2 . . . . . 18 LEU HB3 . 28112 1 214 . 1 . 1 18 18 LEU HG H 1 1.479 0.04 . 1 . . . . . 18 LEU HG . 28112 1 215 . 1 . 1 18 18 LEU HD11 H 1 0.779 0.04 . 2 . . . . . 18 LEU HD1* . 28112 1 216 . 1 . 1 18 18 LEU HD12 H 1 0.779 0.04 . 2 . . . . . 18 LEU HD1* . 28112 1 217 . 1 . 1 18 18 LEU HD13 H 1 0.779 0.04 . 2 . . . . . 18 LEU HD1* . 28112 1 218 . 1 . 1 18 18 LEU HD21 H 1 0.910 0.04 . 2 . . . . . 18 LEU HD2* . 28112 1 219 . 1 . 1 18 18 LEU HD22 H 1 0.910 0.04 . 2 . . . . . 18 LEU HD2* . 28112 1 220 . 1 . 1 18 18 LEU HD23 H 1 0.910 0.04 . 2 . . . . . 18 LEU HD2* . 28112 1 221 . 1 . 1 18 18 LEU C C 13 179.555 0.4 . 1 . . . . . 18 LEU C . 28112 1 222 . 1 . 1 18 18 LEU CA C 13 58.183 0.4 . 1 . . . . . 18 LEU CA . 28112 1 223 . 1 . 1 18 18 LEU CB C 13 41.214 0.4 . 1 . . . . . 18 LEU CB . 28112 1 224 . 1 . 1 18 18 LEU CG C 13 27.131 0.4 . 1 . . . . . 18 LEU CG . 28112 1 225 . 1 . 1 18 18 LEU CD1 C 13 26.187 0.4 . 2 . . . . . 18 LEU CD1 . 28112 1 226 . 1 . 1 18 18 LEU CD2 C 13 24.623 0.4 . 2 . . . . . 18 LEU CD2 . 28112 1 227 . 1 . 1 18 18 LEU N N 15 120.854 0.2 . 1 . . . . . 18 LEU N . 28112 1 228 . 1 . 1 19 19 GLN H H 1 8.252 0.04 . 1 . . . . . 19 GLN H . 28112 1 229 . 1 . 1 19 19 GLN HA H 1 3.933 0.04 . 1 . . . . . 19 GLN HA . 28112 1 230 . 1 . 1 19 19 GLN HB2 H 1 2.006 0.04 . 2 . . . . . 19 GLN HB2 . 28112 1 231 . 1 . 1 19 19 GLN HB3 H 1 2.119 0.04 . 2 . . . . . 19 GLN HB3 . 28112 1 232 . 1 . 1 19 19 GLN HG2 H 1 2.285 0.04 . 2 . . . . . 19 GLN HG2 . 28112 1 233 . 1 . 1 19 19 GLN HG3 H 1 2.481 0.04 . 2 . . . . . 19 GLN HG3 . 28112 1 234 . 1 . 1 19 19 GLN HE21 H 1 6.770 0.04 . 2 . . . . . 19 GLN HE21 . 28112 1 235 . 1 . 1 19 19 GLN HE22 H 1 7.270 0.04 . 2 . . . . . 19 GLN HE22 . 28112 1 236 . 1 . 1 19 19 GLN C C 13 178.419 0.4 . 1 . . . . . 19 GLN C . 28112 1 237 . 1 . 1 19 19 GLN CA C 13 59.104 0.4 . 1 . . . . . 19 GLN CA . 28112 1 238 . 1 . 1 19 19 GLN CB C 13 28.016 0.4 . 1 . . . . . 19 GLN CB . 28112 1 239 . 1 . 1 19 19 GLN CG C 13 33.879 0.4 . 1 . . . . . 19 GLN CG . 28112 1 240 . 1 . 1 19 19 GLN CD C 13 179.905 0.4 . 1 . . . . . 19 GLN CD . 28112 1 241 . 1 . 1 19 19 GLN N N 15 120.630 0.2 . 1 . . . . . 19 GLN N . 28112 1 242 . 1 . 1 19 19 GLN NE2 N 15 111.442 0.2 . 1 . . . . . 19 GLN NE2 . 28112 1 243 . 1 . 1 20 20 LYS H H 1 7.817 0.04 . 1 . . . . . 20 LYS H . 28112 1 244 . 1 . 1 20 20 LYS HA H 1 3.842 0.04 . 1 . . . . . 20 LYS HA . 28112 1 245 . 1 . 1 20 20 LYS HB2 H 1 1.789 0.04 . 1 . . . . . 20 LYS HB2 . 28112 1 246 . 1 . 1 20 20 LYS HB3 H 1 1.789 0.04 . 1 . . . . . 20 LYS HB3 . 28112 1 247 . 1 . 1 20 20 LYS HG2 H 1 1.197 0.04 . 2 . . . . . 20 LYS HG2 . 28112 1 248 . 1 . 1 20 20 LYS HG3 H 1 1.328 0.04 . 2 . . . . . 20 LYS HG3 . 28112 1 249 . 1 . 1 20 20 LYS HD2 H 1 1.504 0.04 . 1 . . . . . 20 LYS HD2 . 28112 1 250 . 1 . 1 20 20 LYS HD3 H 1 1.504 0.04 . 1 . . . . . 20 LYS HD3 . 28112 1 251 . 1 . 1 20 20 LYS HE2 H 1 2.809 0.04 . 1 . . . . . 20 LYS HE2 . 28112 1 252 . 1 . 1 20 20 LYS HE3 H 1 2.809 0.04 . 1 . . . . . 20 LYS HE3 . 28112 1 253 . 1 . 1 20 20 LYS C C 13 178.664 0.4 . 1 . . . . . 20 LYS C . 28112 1 254 . 1 . 1 20 20 LYS CA C 13 59.477 0.4 . 1 . . . . . 20 LYS CA . 28112 1 255 . 1 . 1 20 20 LYS CB C 13 32.352 0.4 . 1 . . . . . 20 LYS CB . 28112 1 256 . 1 . 1 20 20 LYS CG C 13 24.907 0.4 . 1 . . . . . 20 LYS CG . 28112 1 257 . 1 . 1 20 20 LYS CD C 13 29.391 0.4 . 1 . . . . . 20 LYS CD . 28112 1 258 . 1 . 1 20 20 LYS CE C 13 42.151 0.4 . 1 . . . . . 20 LYS CE . 28112 1 259 . 1 . 1 20 20 LYS N N 15 121.128 0.2 . 1 . . . . . 20 LYS N . 28112 1 260 . 1 . 1 21 21 LEU H H 1 8.573 0.04 . 1 . . . . . 21 LEU H . 28112 1 261 . 1 . 1 21 21 LEU HA H 1 3.735 0.04 . 1 . . . . . 21 LEU HA . 28112 1 262 . 1 . 1 21 21 LEU HB2 H 1 1.090 0.04 . 2 . . . . . 21 LEU HB2 . 28112 1 263 . 1 . 1 21 21 LEU HB3 H 1 1.765 0.04 . 2 . . . . . 21 LEU HB3 . 28112 1 264 . 1 . 1 21 21 LEU HG H 1 1.415 0.04 . 1 . . . . . 21 LEU HG . 28112 1 265 . 1 . 1 21 21 LEU HD11 H 1 0.532 0.04 . 2 . . . . . 21 LEU HD1* . 28112 1 266 . 1 . 1 21 21 LEU HD12 H 1 0.532 0.04 . 2 . . . . . 21 LEU HD1* . 28112 1 267 . 1 . 1 21 21 LEU HD13 H 1 0.532 0.04 . 2 . . . . . 21 LEU HD1* . 28112 1 268 . 1 . 1 21 21 LEU HD21 H 1 0.657 0.04 . 2 . . . . . 21 LEU HD2* . 28112 1 269 . 1 . 1 21 21 LEU HD22 H 1 0.657 0.04 . 2 . . . . . 21 LEU HD2* . 28112 1 270 . 1 . 1 21 21 LEU HD23 H 1 0.657 0.04 . 2 . . . . . 21 LEU HD2* . 28112 1 271 . 1 . 1 21 21 LEU C C 13 178.436 0.4 . 1 . . . . . 21 LEU C . 28112 1 272 . 1 . 1 21 21 LEU CA C 13 57.667 0.4 . 1 . . . . . 21 LEU CA . 28112 1 273 . 1 . 1 21 21 LEU CB C 13 43.103 0.4 . 1 . . . . . 21 LEU CB . 28112 1 274 . 1 . 1 21 21 LEU CG C 13 26.797 0.4 . 1 . . . . . 21 LEU CG . 28112 1 275 . 1 . 1 21 21 LEU CD1 C 13 22.296 0.4 . 2 . . . . . 21 LEU CD1 . 28112 1 276 . 1 . 1 21 21 LEU CD2 C 13 26.045 0.4 . 2 . . . . . 21 LEU CD2 . 28112 1 277 . 1 . 1 21 21 LEU N N 15 119.269 0.2 . 1 . . . . . 21 LEU N . 28112 1 278 . 1 . 1 22 22 THR H H 1 8.154 0.04 . 1 . . . . . 22 THR H . 28112 1 279 . 1 . 1 22 22 THR HA H 1 3.642 0.04 . 1 . . . . . 22 THR HA . 28112 1 280 . 1 . 1 22 22 THR HB H 1 4.200 0.04 . 1 . . . . . 22 THR HB . 28112 1 281 . 1 . 1 22 22 THR HG21 H 1 1.084 0.04 . 1 . . . . . 22 THR HG2* . 28112 1 282 . 1 . 1 22 22 THR HG22 H 1 1.084 0.04 . 1 . . . . . 22 THR HG2* . 28112 1 283 . 1 . 1 22 22 THR HG23 H 1 1.084 0.04 . 1 . . . . . 22 THR HG2* . 28112 1 284 . 1 . 1 22 22 THR C C 13 176.038 0.4 . 1 . . . . . 22 THR C . 28112 1 285 . 1 . 1 22 22 THR CA C 13 67.074 0.4 . 1 . . . . . 22 THR CA . 28112 1 286 . 1 . 1 22 22 THR CB C 13 68.926 0.4 . 1 . . . . . 22 THR CB . 28112 1 287 . 1 . 1 22 22 THR CG2 C 13 20.916 0.4 . 1 . . . . . 22 THR CG2 . 28112 1 288 . 1 . 1 22 22 THR N N 15 114.702 0.2 . 1 . . . . . 22 THR N . 28112 1 289 . 1 . 1 23 23 ARG H H 1 7.473 0.04 . 1 . . . . . 23 ARG H . 28112 1 290 . 1 . 1 23 23 ARG HA H 1 3.907 0.04 . 1 . . . . . 23 ARG HA . 28112 1 291 . 1 . 1 23 23 ARG HB2 H 1 1.786 0.04 . 2 . . . . . 23 ARG HB2 . 28112 1 292 . 1 . 1 23 23 ARG HB3 H 1 1.824 0.04 . 2 . . . . . 23 ARG HB3 . 28112 1 293 . 1 . 1 23 23 ARG HG2 H 1 1.486 0.04 . 2 . . . . . 23 ARG HG2 . 28112 1 294 . 1 . 1 23 23 ARG HG3 H 1 1.678 0.04 . 2 . . . . . 23 ARG HG3 . 28112 1 295 . 1 . 1 23 23 ARG HD2 H 1 3.074 0.04 . 1 . . . . . 23 ARG HD2 . 28112 1 296 . 1 . 1 23 23 ARG HD3 H 1 3.074 0.04 . 1 . . . . . 23 ARG HD3 . 28112 1 297 . 1 . 1 23 23 ARG C C 13 179.259 0.4 . 1 . . . . . 23 ARG C . 28112 1 298 . 1 . 1 23 23 ARG CA C 13 59.511 0.4 . 1 . . . . . 23 ARG CA . 28112 1 299 . 1 . 1 23 23 ARG CB C 13 29.949 0.4 . 1 . . . . . 23 ARG CB . 28112 1 300 . 1 . 1 23 23 ARG CG C 13 27.609 0.4 . 1 . . . . . 23 ARG CG . 28112 1 301 . 1 . 1 23 23 ARG CD C 13 43.477 0.4 . 1 . . . . . 23 ARG CD . 28112 1 302 . 1 . 1 23 23 ARG N N 15 120.422 0.2 . 1 . . . . . 23 ARG N . 28112 1 303 . 1 . 1 24 24 MET H H 1 8.168 0.04 . 1 . . . . . 24 MET H . 28112 1 304 . 1 . 1 24 24 MET HA H 1 3.909 0.04 . 1 . . . . . 24 MET HA . 28112 1 305 . 1 . 1 24 24 MET HB2 H 1 1.585 0.04 . 2 . . . . . 24 MET HB2 . 28112 1 306 . 1 . 1 24 24 MET HB3 H 1 1.610 0.04 . 2 . . . . . 24 MET HB3 . 28112 1 307 . 1 . 1 24 24 MET HG2 H 1 2.135 0.04 . 2 . . . . . 24 MET HG2 . 28112 1 308 . 1 . 1 24 24 MET HG3 H 1 2.350 0.04 . 2 . . . . . 24 MET HG3 . 28112 1 309 . 1 . 1 24 24 MET HE1 H 1 1.058 0.04 . 1 . . . . . 24 MET HE* . 28112 1 310 . 1 . 1 24 24 MET HE2 H 1 1.058 0.04 . 1 . . . . . 24 MET HE* . 28112 1 311 . 1 . 1 24 24 MET HE3 H 1 1.058 0.04 . 1 . . . . . 24 MET HE* . 28112 1 312 . 1 . 1 24 24 MET C C 13 178.768 0.4 . 1 . . . . . 24 MET C . 28112 1 313 . 1 . 1 24 24 MET CA C 13 59.250 0.4 . 1 . . . . . 24 MET CA . 28112 1 314 . 1 . 1 24 24 MET CB C 13 32.665 0.4 . 1 . . . . . 24 MET CB . 28112 1 315 . 1 . 1 24 24 MET CG C 13 30.850 0.4 . 1 . . . . . 24 MET CG . 28112 1 316 . 1 . 1 24 24 MET CE C 13 14.840 0.4 . 1 . . . . . 24 MET CE . 28112 1 317 . 1 . 1 24 24 MET N N 15 120.463 0.2 . 1 . . . . . 24 MET N . 28112 1 318 . 1 . 1 25 25 LEU H H 1 8.359 0.04 . 1 . . . . . 25 LEU H . 28112 1 319 . 1 . 1 25 25 LEU HA H 1 4.378 0.04 . 1 . . . . . 25 LEU HA . 28112 1 320 . 1 . 1 25 25 LEU HB2 H 1 1.393 0.04 . 2 . . . . . 25 LEU HB2 . 28112 1 321 . 1 . 1 25 25 LEU HB3 H 1 1.822 0.04 . 2 . . . . . 25 LEU HB3 . 28112 1 322 . 1 . 1 25 25 LEU HG H 1 1.788 0.04 . 1 . . . . . 25 LEU HG . 28112 1 323 . 1 . 1 25 25 LEU HD11 H 1 0.668 0.04 . 2 . . . . . 25 LEU HD1* . 28112 1 324 . 1 . 1 25 25 LEU HD12 H 1 0.668 0.04 . 2 . . . . . 25 LEU HD1* . 28112 1 325 . 1 . 1 25 25 LEU HD13 H 1 0.668 0.04 . 2 . . . . . 25 LEU HD1* . 28112 1 326 . 1 . 1 25 25 LEU HD21 H 1 1.244 0.04 . 2 . . . . . 25 LEU HD2* . 28112 1 327 . 1 . 1 25 25 LEU HD22 H 1 1.244 0.04 . 2 . . . . . 25 LEU HD2* . 28112 1 328 . 1 . 1 25 25 LEU HD23 H 1 1.244 0.04 . 2 . . . . . 25 LEU HD2* . 28112 1 329 . 1 . 1 25 25 LEU C C 13 178.128 0.4 . 1 . . . . . 25 LEU C . 28112 1 330 . 1 . 1 25 25 LEU CA C 13 56.582 0.4 . 1 . . . . . 25 LEU CA . 28112 1 331 . 1 . 1 25 25 LEU CB C 13 42.936 0.4 . 1 . . . . . 25 LEU CB . 28112 1 332 . 1 . 1 25 25 LEU CG C 13 28.088 0.4 . 1 . . . . . 25 LEU CG . 28112 1 333 . 1 . 1 25 25 LEU CD1 C 13 25.482 0.4 . 2 . . . . . 25 LEU CD1 . 28112 1 334 . 1 . 1 25 25 LEU CD2 C 13 25.216 0.4 . 2 . . . . . 25 LEU CD2 . 28112 1 335 . 1 . 1 25 25 LEU N N 15 119.527 0.2 . 1 . . . . . 25 LEU N . 28112 1 336 . 1 . 1 26 26 ARG H H 1 7.225 0.04 . 1 . . . . . 26 ARG H . 28112 1 337 . 1 . 1 26 26 ARG HA H 1 3.984 0.04 . 1 . . . . . 26 ARG HA . 28112 1 338 . 1 . 1 26 26 ARG HB2 H 1 1.826 0.04 . 1 . . . . . 26 ARG HB2 . 28112 1 339 . 1 . 1 26 26 ARG HB3 H 1 1.826 0.04 . 1 . . . . . 26 ARG HB3 . 28112 1 340 . 1 . 1 26 26 ARG HG2 H 1 1.568 0.04 . 2 . . . . . 26 ARG HG2 . 28112 1 341 . 1 . 1 26 26 ARG HG3 H 1 1.773 0.04 . 2 . . . . . 26 ARG HG3 . 28112 1 342 . 1 . 1 26 26 ARG HD2 H 1 3.107 0.04 . 1 . . . . . 26 ARG HD2 . 28112 1 343 . 1 . 1 26 26 ARG HD3 H 1 3.107 0.04 . 1 . . . . . 26 ARG HD3 . 28112 1 344 . 1 . 1 26 26 ARG C C 13 177.423 0.4 . 1 . . . . . 26 ARG C . 28112 1 345 . 1 . 1 26 26 ARG CA C 13 58.164 0.4 . 1 . . . . . 26 ARG CA . 28112 1 346 . 1 . 1 26 26 ARG CB C 13 30.262 0.4 . 1 . . . . . 26 ARG CB . 28112 1 347 . 1 . 1 26 26 ARG CG C 13 27.648 0.4 . 1 . . . . . 26 ARG CG . 28112 1 348 . 1 . 1 26 26 ARG CD C 13 43.605 0.4 . 1 . . . . . 26 ARG CD . 28112 1 349 . 1 . 1 26 26 ARG N N 15 117.031 0.2 . 1 . . . . . 26 ARG N . 28112 1 350 . 1 . 1 27 27 VAL H H 1 7.280 0.04 . 1 . . . . . 27 VAL H . 28112 1 351 . 1 . 1 27 27 VAL HA H 1 3.936 0.04 . 1 . . . . . 27 VAL HA . 28112 1 352 . 1 . 1 27 27 VAL HB H 1 2.126 0.04 . 1 . . . . . 27 VAL HB . 28112 1 353 . 1 . 1 27 27 VAL HG11 H 1 0.788 0.04 . 2 . . . . . 27 VAL HG1* . 28112 1 354 . 1 . 1 27 27 VAL HG12 H 1 0.788 0.04 . 2 . . . . . 27 VAL HG1* . 28112 1 355 . 1 . 1 27 27 VAL HG13 H 1 0.788 0.04 . 2 . . . . . 27 VAL HG1* . 28112 1 356 . 1 . 1 27 27 VAL HG21 H 1 0.890 0.04 . 2 . . . . . 27 VAL HG2* . 28112 1 357 . 1 . 1 27 27 VAL HG22 H 1 0.890 0.04 . 2 . . . . . 27 VAL HG2* . 28112 1 358 . 1 . 1 27 27 VAL HG23 H 1 0.890 0.04 . 2 . . . . . 27 VAL HG2* . 28112 1 359 . 1 . 1 27 27 VAL C C 13 176.199 0.4 . 1 . . . . . 27 VAL C . 28112 1 360 . 1 . 1 27 27 VAL CA C 13 63.464 0.4 . 1 . . . . . 27 VAL CA . 28112 1 361 . 1 . 1 27 27 VAL CB C 13 32.728 0.4 . 1 . . . . . 27 VAL CB . 28112 1 362 . 1 . 1 27 27 VAL CG1 C 13 21.251 0.4 . 2 . . . . . 27 VAL CG1 . 28112 1 363 . 1 . 1 27 27 VAL CG2 C 13 20.946 0.4 . 2 . . . . . 27 VAL CG2 . 28112 1 364 . 1 . 1 27 27 VAL N N 15 115.813 0.2 . 1 . . . . . 27 VAL N . 28112 1 365 . 1 . 1 28 28 HIS H H 1 8.030 0.04 . 1 . . . . . 28 HIS H . 28112 1 366 . 1 . 1 28 28 HIS HA H 1 5.003 0.04 . 1 . . . . . 28 HIS HA . 28112 1 367 . 1 . 1 28 28 HIS HB2 H 1 3.100 0.04 . 2 . . . . . 28 HIS HB2 . 28112 1 368 . 1 . 1 28 28 HIS HB3 H 1 3.263 0.04 . 2 . . . . . 28 HIS HB3 . 28112 1 369 . 1 . 1 28 28 HIS HD2 H 1 7.002 0.04 . 1 . . . . . 28 HIS HD2 . 28112 1 370 . 1 . 1 28 28 HIS HE1 H 1 8.327 0.04 . 1 . . . . . 28 HIS HE1 . 28112 1 371 . 1 . 1 28 28 HIS C C 13 171.248 0.4 . 1 . . . . . 28 HIS C . 28112 1 372 . 1 . 1 28 28 HIS CA C 13 53.176 0.4 . 1 . . . . . 28 HIS CA . 28112 1 373 . 1 . 1 28 28 HIS CB C 13 30.355 0.4 . 1 . . . . . 28 HIS CB . 28112 1 374 . 1 . 1 28 28 HIS CD2 C 13 120.367 0.4 . 1 . . . . . 28 HIS CD2 . 28112 1 375 . 1 . 1 28 28 HIS CE1 C 13 136.717 0.4 . 1 . . . . . 28 HIS CE1 . 28112 1 376 . 1 . 1 28 28 HIS N N 15 117.729 0.2 . 1 . . . . . 28 HIS N . 28112 1 377 . 1 . 1 29 29 PRO HA H 1 4.513 0.04 . 1 . . . . . 29 PRO HA . 28112 1 378 . 1 . 1 29 29 PRO HB2 H 1 1.910 0.04 . 2 . . . . . 29 PRO HB2 . 28112 1 379 . 1 . 1 29 29 PRO HB3 H 1 2.064 0.04 . 2 . . . . . 29 PRO HB3 . 28112 1 380 . 1 . 1 29 29 PRO HG2 H 1 1.838 0.04 . 2 . . . . . 29 PRO HG2 . 28112 1 381 . 1 . 1 29 29 PRO HG3 H 1 1.930 0.04 . 2 . . . . . 29 PRO HG3 . 28112 1 382 . 1 . 1 29 29 PRO HD2 H 1 3.471 0.04 . 1 . . . . . 29 PRO HD2 . 28112 1 383 . 1 . 1 29 29 PRO HD3 H 1 3.471 0.04 . 1 . . . . . 29 PRO HD3 . 28112 1 384 . 1 . 1 29 29 PRO C C 13 176.085 0.4 . 1 . . . . . 29 PRO C . 28112 1 385 . 1 . 1 29 29 PRO CA C 13 62.669 0.4 . 1 . . . . . 29 PRO CA . 28112 1 386 . 1 . 1 29 29 PRO CB C 13 30.503 0.4 . 1 . . . . . 29 PRO CB . 28112 1 387 . 1 . 1 29 29 PRO CG C 13 27.190 0.4 . 1 . . . . . 29 PRO CG . 28112 1 388 . 1 . 1 29 29 PRO CD C 13 50.264 0.4 . 1 . . . . . 29 PRO CD . 28112 1 389 . 1 . 1 30 30 ASP H H 1 7.388 0.04 . 1 . . . . . 30 ASP H . 28112 1 390 . 1 . 1 30 30 ASP HA H 1 4.513 0.04 . 1 . . . . . 30 ASP HA . 28112 1 391 . 1 . 1 30 30 ASP HB2 H 1 1.741 0.04 . 2 . . . . . 30 ASP HB2 . 28112 1 392 . 1 . 1 30 30 ASP HB3 H 1 2.002 0.04 . 2 . . . . . 30 ASP HB3 . 28112 1 393 . 1 . 1 30 30 ASP C C 13 174.710 0.4 . 1 . . . . . 30 ASP C . 28112 1 394 . 1 . 1 30 30 ASP CA C 13 52.304 0.4 . 1 . . . . . 30 ASP CA . 28112 1 395 . 1 . 1 30 30 ASP CB C 13 43.592 0.4 . 1 . . . . . 30 ASP CB . 28112 1 396 . 1 . 1 30 30 ASP N N 15 123.724 0.2 . 1 . . . . . 30 ASP N . 28112 1 397 . 1 . 1 31 31 PRO HA H 1 4.183 0.04 . 1 . . . . . 31 PRO HA . 28112 1 398 . 1 . 1 31 31 PRO HB2 H 1 1.854 0.04 . 2 . . . . . 31 PRO HB2 . 28112 1 399 . 1 . 1 31 31 PRO HB3 H 1 2.261 0.04 . 2 . . . . . 31 PRO HB3 . 28112 1 400 . 1 . 1 31 31 PRO HG2 H 1 1.916 0.04 . 1 . . . . . 31 PRO HG2 . 28112 1 401 . 1 . 1 31 31 PRO HG3 H 1 1.916 0.04 . 1 . . . . . 31 PRO HG3 . 28112 1 402 . 1 . 1 31 31 PRO HD2 H 1 3.599 0.04 . 2 . . . . . 31 PRO HD2 . 28112 1 403 . 1 . 1 31 31 PRO HD3 H 1 3.694 0.04 . 2 . . . . . 31 PRO HD3 . 28112 1 404 . 1 . 1 31 31 PRO C C 13 179.159 0.4 . 1 . . . . . 31 PRO C . 28112 1 405 . 1 . 1 31 31 PRO CA C 13 64.906 0.4 . 1 . . . . . 31 PRO CA . 28112 1 406 . 1 . 1 31 31 PRO CB C 13 32.240 0.4 . 1 . . . . . 31 PRO CB . 28112 1 407 . 1 . 1 31 31 PRO CG C 13 27.285 0.4 . 1 . . . . . 31 PRO CG . 28112 1 408 . 1 . 1 31 31 PRO CD C 13 51.198 0.4 . 1 . . . . . 31 PRO CD . 28112 1 409 . 1 . 1 32 32 LYS H H 1 8.355 0.04 . 1 . . . . . 32 LYS H . 28112 1 410 . 1 . 1 32 32 LYS HA H 1 4.078 0.04 . 1 . . . . . 32 LYS HA . 28112 1 411 . 1 . 1 32 32 LYS HB2 H 1 1.581 0.04 . 2 . . . . . 32 LYS HB2 . 28112 1 412 . 1 . 1 32 32 LYS HB3 H 1 1.666 0.04 . 2 . . . . . 32 LYS HB3 . 28112 1 413 . 1 . 1 32 32 LYS HG2 H 1 1.185 0.04 . 2 . . . . . 32 LYS HG2 . 28112 1 414 . 1 . 1 32 32 LYS HG3 H 1 1.263 0.04 . 2 . . . . . 32 LYS HG3 . 28112 1 415 . 1 . 1 32 32 LYS HD2 H 1 1.489 0.04 . 1 . . . . . 32 LYS HD2 . 28112 1 416 . 1 . 1 32 32 LYS HD3 H 1 1.489 0.04 . 1 . . . . . 32 LYS HD3 . 28112 1 417 . 1 . 1 32 32 LYS HE2 H 1 2.766 0.04 . 1 . . . . . 32 LYS HE2 . 28112 1 418 . 1 . 1 32 32 LYS HE3 H 1 2.766 0.04 . 1 . . . . . 32 LYS HE3 . 28112 1 419 . 1 . 1 32 32 LYS C C 13 180.212 0.4 . 1 . . . . . 32 LYS C . 28112 1 420 . 1 . 1 32 32 LYS CA C 13 59.036 0.4 . 1 . . . . . 32 LYS CA . 28112 1 421 . 1 . 1 32 32 LYS CB C 13 31.281 0.4 . 1 . . . . . 32 LYS CB . 28112 1 422 . 1 . 1 32 32 LYS CG C 13 24.801 0.4 . 1 . . . . . 32 LYS CG . 28112 1 423 . 1 . 1 32 32 LYS CD C 13 28.808 0.4 . 1 . . . . . 32 LYS CD . 28112 1 424 . 1 . 1 32 32 LYS CE C 13 41.781 0.4 . 1 . . . . . 32 LYS CE . 28112 1 425 . 1 . 1 32 32 LYS N N 15 119.977 0.2 . 1 . . . . . 32 LYS N . 28112 1 426 . 1 . 1 33 33 TRP H H 1 7.743 0.04 . 1 . . . . . 33 TRP H . 28112 1 427 . 1 . 1 33 33 TRP HA H 1 4.787 0.04 . 1 . . . . . 33 TRP HA . 28112 1 428 . 1 . 1 33 33 TRP HB2 H 1 3.075 0.04 . 2 . . . . . 33 TRP HB2 . 28112 1 429 . 1 . 1 33 33 TRP HB3 H 1 3.465 0.04 . 2 . . . . . 33 TRP HB3 . 28112 1 430 . 1 . 1 33 33 TRP HD1 H 1 7.072 0.04 . 1 . . . . . 33 TRP HD1 . 28112 1 431 . 1 . 1 33 33 TRP HE1 H 1 9.950 0.04 . 1 . . . . . 33 TRP HE1 . 28112 1 432 . 1 . 1 33 33 TRP HE3 H 1 7.382 0.04 . 1 . . . . . 33 TRP HE3 . 28112 1 433 . 1 . 1 33 33 TRP HZ2 H 1 7.353 0.04 . 1 . . . . . 33 TRP HZ2 . 28112 1 434 . 1 . 1 33 33 TRP HZ3 H 1 7.094 0.04 . 1 . . . . . 33 TRP HZ3 . 28112 1 435 . 1 . 1 33 33 TRP HH2 H 1 7.088 0.04 . 1 . . . . . 33 TRP HH2 . 28112 1 436 . 1 . 1 33 33 TRP C C 13 178.304 0.4 . 1 . . . . . 33 TRP C . 28112 1 437 . 1 . 1 33 33 TRP CA C 13 57.462 0.4 . 1 . . . . . 33 TRP CA . 28112 1 438 . 1 . 1 33 33 TRP CB C 13 29.502 0.4 . 1 . . . . . 33 TRP CB . 28112 1 439 . 1 . 1 33 33 TRP CD1 C 13 125.167 0.4 . 1 . . . . . 33 TRP CD1 . 28112 1 440 . 1 . 1 33 33 TRP CE3 C 13 120.724 0.4 . 1 . . . . . 33 TRP CE3 . 28112 1 441 . 1 . 1 33 33 TRP CZ2 C 13 114.629 0.4 . 1 . . . . . 33 TRP CZ2 . 28112 1 442 . 1 . 1 33 33 TRP CZ3 C 13 122.675 0.4 . 1 . . . . . 33 TRP CZ3 . 28112 1 443 . 1 . 1 33 33 TRP CH2 C 13 124.318 0.4 . 1 . . . . . 33 TRP CH2 . 28112 1 444 . 1 . 1 33 33 TRP N N 15 122.040 0.2 . 1 . . . . . 33 TRP N . 28112 1 445 . 1 . 1 33 33 TRP NE1 N 15 128.487 0.2 . 1 . . . . . 33 TRP NE1 . 28112 1 446 . 1 . 1 34 34 LYS H H 1 8.162 0.04 . 1 . . . . . 34 LYS H . 28112 1 447 . 1 . 1 34 34 LYS HA H 1 3.988 0.04 . 1 . . . . . 34 LYS HA . 28112 1 448 . 1 . 1 34 34 LYS HB2 H 1 1.858 0.04 . 1 . . . . . 34 LYS HB2 . 28112 1 449 . 1 . 1 34 34 LYS HB3 H 1 1.858 0.04 . 1 . . . . . 34 LYS HB3 . 28112 1 450 . 1 . 1 34 34 LYS HG2 H 1 1.409 0.04 . 1 . . . . . 34 LYS HG2 . 28112 1 451 . 1 . 1 34 34 LYS HG3 H 1 1.409 0.04 . 1 . . . . . 34 LYS HG3 . 28112 1 452 . 1 . 1 34 34 LYS C C 13 178.146 0.4 . 1 . . . . . 34 LYS C . 28112 1 453 . 1 . 1 34 34 LYS CA C 13 59.056 0.4 . 1 . . . . . 34 LYS CA . 28112 1 454 . 1 . 1 34 34 LYS CB C 13 32.065 0.4 . 1 . . . . . 34 LYS CB . 28112 1 455 . 1 . 1 34 34 LYS CG C 13 25.040 0.4 . 1 . . . . . 34 LYS CG . 28112 1 456 . 1 . 1 34 34 LYS N N 15 119.821 0.2 . 1 . . . . . 34 LYS N . 28112 1 457 . 1 . 1 35 35 GLN H H 1 7.879 0.04 . 1 . . . . . 35 GLN H . 28112 1 458 . 1 . 1 35 35 GLN HA H 1 3.988 0.04 . 1 . . . . . 35 GLN HA . 28112 1 459 . 1 . 1 35 35 GLN HB2 H 1 2.120 0.04 . 1 . . . . . 35 GLN HB2 . 28112 1 460 . 1 . 1 35 35 GLN HB3 H 1 2.120 0.04 . 1 . . . . . 35 GLN HB3 . 28112 1 461 . 1 . 1 35 35 GLN HG2 H 1 2.304 0.04 . 2 . . . . . 35 GLN HG2 . 28112 1 462 . 1 . 1 35 35 GLN HG3 H 1 2.405 0.04 . 2 . . . . . 35 GLN HG3 . 28112 1 463 . 1 . 1 35 35 GLN HE21 H 1 6.734 0.04 . 2 . . . . . 35 GLN HE21 . 28112 1 464 . 1 . 1 35 35 GLN HE22 H 1 7.496 0.04 . 2 . . . . . 35 GLN HE22 . 28112 1 465 . 1 . 1 35 35 GLN C C 13 178.355 0.4 . 1 . . . . . 35 GLN C . 28112 1 466 . 1 . 1 35 35 GLN CA C 13 59.043 0.4 . 1 . . . . . 35 GLN CA . 28112 1 467 . 1 . 1 35 35 GLN CB C 13 28.107 0.4 . 1 . . . . . 35 GLN CB . 28112 1 468 . 1 . 1 35 35 GLN CG C 13 33.523 0.4 . 1 . . . . . 35 GLN CG . 28112 1 469 . 1 . 1 35 35 GLN CD C 13 180.002 0.4 . 1 . . . . . 35 GLN CD . 28112 1 470 . 1 . 1 35 35 GLN N N 15 118.843 0.2 . 1 . . . . . 35 GLN N . 28112 1 471 . 1 . 1 35 35 GLN NE2 N 15 111.896 0.2 . 1 . . . . . 35 GLN NE2 . 28112 1 472 . 1 . 1 36 36 GLU H H 1 7.834 0.04 . 1 . . . . . 36 GLU H . 28112 1 473 . 1 . 1 36 36 GLU HA H 1 3.961 0.04 . 1 . . . . . 36 GLU HA . 28112 1 474 . 1 . 1 36 36 GLU HB2 H 1 2.068 0.04 . 1 . . . . . 36 GLU HB2 . 28112 1 475 . 1 . 1 36 36 GLU HB3 H 1 2.068 0.04 . 1 . . . . . 36 GLU HB3 . 28112 1 476 . 1 . 1 36 36 GLU HG2 H 1 2.053 0.04 . 2 . . . . . 36 GLU HG2 . 28112 1 477 . 1 . 1 36 36 GLU HG3 H 1 2.393 0.04 . 2 . . . . . 36 GLU HG3 . 28112 1 478 . 1 . 1 36 36 GLU C C 13 178.209 0.4 . 1 . . . . . 36 GLU C . 28112 1 479 . 1 . 1 36 36 GLU CA C 13 59.253 0.4 . 1 . . . . . 36 GLU CA . 28112 1 480 . 1 . 1 36 36 GLU CB C 13 29.097 0.4 . 1 . . . . . 36 GLU CB . 28112 1 481 . 1 . 1 36 36 GLU CG C 13 35.837 0.4 . 1 . . . . . 36 GLU CG . 28112 1 482 . 1 . 1 36 36 GLU N N 15 120.923 0.2 . 1 . . . . . 36 GLU N . 28112 1 483 . 1 . 1 37 37 GLN H H 1 8.598 0.04 . 1 . . . . . 37 GLN H . 28112 1 484 . 1 . 1 37 37 GLN HA H 1 3.634 0.04 . 1 . . . . . 37 GLN HA . 28112 1 485 . 1 . 1 37 37 GLN HB2 H 1 1.847 0.04 . 2 . . . . . 37 GLN HB2 . 28112 1 486 . 1 . 1 37 37 GLN HB3 H 1 2.590 0.04 . 2 . . . . . 37 GLN HB3 . 28112 1 487 . 1 . 1 37 37 GLN HG2 H 1 1.940 0.04 . 2 . . . . . 37 GLN HG2 . 28112 1 488 . 1 . 1 37 37 GLN HG3 H 1 2.031 0.04 . 2 . . . . . 37 GLN HG3 . 28112 1 489 . 1 . 1 37 37 GLN HE21 H 1 6.941 0.04 . 2 . . . . . 37 GLN HE21 . 28112 1 490 . 1 . 1 37 37 GLN HE22 H 1 7.142 0.04 . 2 . . . . . 37 GLN HE22 . 28112 1 491 . 1 . 1 37 37 GLN C C 13 177.316 0.4 . 1 . . . . . 37 GLN C . 28112 1 492 . 1 . 1 37 37 GLN CA C 13 59.602 0.4 . 1 . . . . . 37 GLN CA . 28112 1 493 . 1 . 1 37 37 GLN CB C 13 28.644 0.4 . 1 . . . . . 37 GLN CB . 28112 1 494 . 1 . 1 37 37 GLN CG C 13 33.714 0.4 . 1 . . . . . 37 GLN CG . 28112 1 495 . 1 . 1 37 37 GLN CD C 13 178.198 0.4 . 1 . . . . . 37 GLN CD . 28112 1 496 . 1 . 1 37 37 GLN N N 15 119.684 0.2 . 1 . . . . . 37 GLN N . 28112 1 497 . 1 . 1 37 37 GLN NE2 N 15 111.987 0.2 . 1 . . . . . 37 GLN NE2 . 28112 1 498 . 1 . 1 38 38 GLN H H 1 8.239 0.04 . 1 . . . . . 38 GLN H . 28112 1 499 . 1 . 1 38 38 GLN HA H 1 3.821 0.04 . 1 . . . . . 38 GLN HA . 28112 1 500 . 1 . 1 38 38 GLN HB2 H 1 2.057 0.04 . 2 . . . . . 38 GLN HB2 . 28112 1 501 . 1 . 1 38 38 GLN HB3 H 1 2.163 0.04 . 2 . . . . . 38 GLN HB3 . 28112 1 502 . 1 . 1 38 38 GLN HG2 H 1 2.458 0.04 . 1 . . . . . 38 GLN HG2 . 28112 1 503 . 1 . 1 38 38 GLN HG3 H 1 2.458 0.04 . 1 . . . . . 38 GLN HG3 . 28112 1 504 . 1 . 1 38 38 GLN HE21 H 1 6.907 0.04 . 2 . . . . . 38 GLN HE21 . 28112 1 505 . 1 . 1 38 38 GLN HE22 H 1 7.251 0.04 . 2 . . . . . 38 GLN HE22 . 28112 1 506 . 1 . 1 38 38 GLN C C 13 178.818 0.4 . 1 . . . . . 38 GLN C . 28112 1 507 . 1 . 1 38 38 GLN CA C 13 58.602 0.4 . 1 . . . . . 38 GLN CA . 28112 1 508 . 1 . 1 38 38 GLN CB C 13 28.378 0.4 . 1 . . . . . 38 GLN CB . 28112 1 509 . 1 . 1 38 38 GLN CG C 13 34.245 0.4 . 1 . . . . . 38 GLN CG . 28112 1 510 . 1 . 1 38 38 GLN CD C 13 180.017 0.4 . 1 . . . . . 38 GLN CD . 28112 1 511 . 1 . 1 38 38 GLN N N 15 116.233 0.2 . 1 . . . . . 38 GLN N . 28112 1 512 . 1 . 1 38 38 GLN NE2 N 15 113.523 0.2 . 1 . . . . . 38 GLN NE2 . 28112 1 513 . 1 . 1 39 39 GLU H H 1 7.963 0.04 . 1 . . . . . 39 GLU H . 28112 1 514 . 1 . 1 39 39 GLU HA H 1 3.987 0.04 . 1 . . . . . 39 GLU HA . 28112 1 515 . 1 . 1 39 39 GLU HB2 H 1 2.016 0.04 . 2 . . . . . 39 GLU HB2 . 28112 1 516 . 1 . 1 39 39 GLU HB3 H 1 2.111 0.04 . 2 . . . . . 39 GLU HB3 . 28112 1 517 . 1 . 1 39 39 GLU HG2 H 1 2.266 0.04 . 1 . . . . . 39 GLU HG2 . 28112 1 518 . 1 . 1 39 39 GLU HG3 H 1 2.266 0.04 . 1 . . . . . 39 GLU HG3 . 28112 1 519 . 1 . 1 39 39 GLU C C 13 178.922 0.4 . 1 . . . . . 39 GLU C . 28112 1 520 . 1 . 1 39 39 GLU CA C 13 59.039 0.4 . 1 . . . . . 39 GLU CA . 28112 1 521 . 1 . 1 39 39 GLU CB C 13 29.136 0.4 . 1 . . . . . 39 GLU CB . 28112 1 522 . 1 . 1 39 39 GLU CG C 13 35.963 0.4 . 1 . . . . . 39 GLU CG . 28112 1 523 . 1 . 1 39 39 GLU N N 15 120.626 0.2 . 1 . . . . . 39 GLU N . 28112 1 524 . 1 . 1 40 40 LEU H H 1 8.164 0.04 . 1 . . . . . 40 LEU H . 28112 1 525 . 1 . 1 40 40 LEU HA H 1 3.912 0.04 . 1 . . . . . 40 LEU HA . 28112 1 526 . 1 . 1 40 40 LEU HB2 H 1 1.215 0.04 . 2 . . . . . 40 LEU HB2 . 28112 1 527 . 1 . 1 40 40 LEU HB3 H 1 1.971 0.04 . 2 . . . . . 40 LEU HB3 . 28112 1 528 . 1 . 1 40 40 LEU HG H 1 1.784 0.04 . 1 . . . . . 40 LEU HG . 28112 1 529 . 1 . 1 40 40 LEU HD11 H 1 0.798 0.04 . 2 . . . . . 40 LEU HD1* . 28112 1 530 . 1 . 1 40 40 LEU HD12 H 1 0.798 0.04 . 2 . . . . . 40 LEU HD1* . 28112 1 531 . 1 . 1 40 40 LEU HD13 H 1 0.798 0.04 . 2 . . . . . 40 LEU HD1* . 28112 1 532 . 1 . 1 40 40 LEU HD21 H 1 0.833 0.04 . 2 . . . . . 40 LEU HD2* . 28112 1 533 . 1 . 1 40 40 LEU HD22 H 1 0.833 0.04 . 2 . . . . . 40 LEU HD2* . 28112 1 534 . 1 . 1 40 40 LEU HD23 H 1 0.833 0.04 . 2 . . . . . 40 LEU HD2* . 28112 1 535 . 1 . 1 40 40 LEU C C 13 178.469 0.4 . 1 . . . . . 40 LEU C . 28112 1 536 . 1 . 1 40 40 LEU CA C 13 58.237 0.4 . 1 . . . . . 40 LEU CA . 28112 1 537 . 1 . 1 40 40 LEU CB C 13 42.723 0.4 . 1 . . . . . 40 LEU CB . 28112 1 538 . 1 . 1 40 40 LEU CG C 13 27.031 0.4 . 1 . . . . . 40 LEU CG . 28112 1 539 . 1 . 1 40 40 LEU CD1 C 13 26.007 0.4 . 2 . . . . . 40 LEU CD1 . 28112 1 540 . 1 . 1 40 40 LEU CD2 C 13 23.214 0.4 . 2 . . . . . 40 LEU CD2 . 28112 1 541 . 1 . 1 40 40 LEU N N 15 120.966 0.2 . 1 . . . . . 40 LEU N . 28112 1 542 . 1 . 1 41 41 ILE H H 1 8.092 0.04 . 1 . . . . . 41 ILE H . 28112 1 543 . 1 . 1 41 41 ILE HA H 1 3.424 0.04 . 1 . . . . . 41 ILE HA . 28112 1 544 . 1 . 1 41 41 ILE HB H 1 1.708 0.04 . 1 . . . . . 41 ILE HB . 28112 1 545 . 1 . 1 41 41 ILE HG12 H 1 0.930 0.04 . 2 . . . . . 41 ILE HG12 . 28112 1 546 . 1 . 1 41 41 ILE HG13 H 1 1.734 0.04 . 2 . . . . . 41 ILE HG13 . 28112 1 547 . 1 . 1 41 41 ILE HG21 H 1 0.766 0.04 . 1 . . . . . 41 ILE HG2* . 28112 1 548 . 1 . 1 41 41 ILE HG22 H 1 0.766 0.04 . 1 . . . . . 41 ILE HG2* . 28112 1 549 . 1 . 1 41 41 ILE HG23 H 1 0.766 0.04 . 1 . . . . . 41 ILE HG2* . 28112 1 550 . 1 . 1 41 41 ILE HD11 H 1 0.678 0.04 . 1 . . . . . 41 ILE HD1* . 28112 1 551 . 1 . 1 41 41 ILE HD12 H 1 0.678 0.04 . 1 . . . . . 41 ILE HD1* . 28112 1 552 . 1 . 1 41 41 ILE HD13 H 1 0.678 0.04 . 1 . . . . . 41 ILE HD1* . 28112 1 553 . 1 . 1 41 41 ILE C C 13 178.644 0.4 . 1 . . . . . 41 ILE C . 28112 1 554 . 1 . 1 41 41 ILE CA C 13 65.675 0.4 . 1 . . . . . 41 ILE CA . 28112 1 555 . 1 . 1 41 41 ILE CB C 13 38.262 0.4 . 1 . . . . . 41 ILE CB . 28112 1 556 . 1 . 1 41 41 ILE CG1 C 13 30.252 0.4 . 1 . . . . . 41 ILE CG1 . 28112 1 557 . 1 . 1 41 41 ILE CG2 C 13 16.802 0.4 . 1 . . . . . 41 ILE CG2 . 28112 1 558 . 1 . 1 41 41 ILE CD1 C 13 13.555 0.4 . 1 . . . . . 41 ILE CD1 . 28112 1 559 . 1 . 1 41 41 ILE N N 15 118.903 0.2 . 1 . . . . . 41 ILE N . 28112 1 560 . 1 . 1 42 42 LYS H H 1 7.383 0.04 . 1 . . . . . 42 LYS H . 28112 1 561 . 1 . 1 42 42 LYS HA H 1 3.888 0.04 . 1 . . . . . 42 LYS HA . 28112 1 562 . 1 . 1 42 42 LYS HB2 H 1 1.831 0.04 . 1 . . . . . 42 LYS HB2 . 28112 1 563 . 1 . 1 42 42 LYS HB3 H 1 1.831 0.04 . 1 . . . . . 42 LYS HB3 . 28112 1 564 . 1 . 1 42 42 LYS HG2 H 1 1.288 0.04 . 2 . . . . . 42 LYS HG2 . 28112 1 565 . 1 . 1 42 42 LYS HG3 H 1 1.483 0.04 . 2 . . . . . 42 LYS HG3 . 28112 1 566 . 1 . 1 42 42 LYS HD2 H 1 1.601 0.04 . 1 . . . . . 42 LYS HD2 . 28112 1 567 . 1 . 1 42 42 LYS HD3 H 1 1.601 0.04 . 1 . . . . . 42 LYS HD3 . 28112 1 568 . 1 . 1 42 42 LYS HE2 H 1 2.852 0.04 . 1 . . . . . 42 LYS HE2 . 28112 1 569 . 1 . 1 42 42 LYS HE3 H 1 2.852 0.04 . 1 . . . . . 42 LYS HE3 . 28112 1 570 . 1 . 1 42 42 LYS C C 13 179.296 0.4 . 1 . . . . . 42 LYS C . 28112 1 571 . 1 . 1 42 42 LYS CA C 13 59.425 0.4 . 1 . . . . . 42 LYS CA . 28112 1 572 . 1 . 1 42 42 LYS CB C 13 32.357 0.4 . 1 . . . . . 42 LYS CB . 28112 1 573 . 1 . 1 42 42 LYS CG C 13 25.125 0.4 . 1 . . . . . 42 LYS CG . 28112 1 574 . 1 . 1 42 42 LYS CD C 13 29.453 0.4 . 1 . . . . . 42 LYS CD . 28112 1 575 . 1 . 1 42 42 LYS CE C 13 42.132 0.4 . 1 . . . . . 42 LYS CE . 28112 1 576 . 1 . 1 42 42 LYS N N 15 118.101 0.2 . 1 . . . . . 42 LYS N . 28112 1 577 . 1 . 1 43 43 ARG H H 1 8.041 0.04 . 1 . . . . . 43 ARG H . 28112 1 578 . 1 . 1 43 43 ARG HA H 1 3.979 0.04 . 1 . . . . . 43 ARG HA . 28112 1 579 . 1 . 1 43 43 ARG HB2 H 1 1.802 0.04 . 2 . . . . . 43 ARG HB2 . 28112 1 580 . 1 . 1 43 43 ARG HB3 H 1 1.843 0.04 . 2 . . . . . 43 ARG HB3 . 28112 1 581 . 1 . 1 43 43 ARG HG2 H 1 1.592 0.04 . 2 . . . . . 43 ARG HG2 . 28112 1 582 . 1 . 1 43 43 ARG HG3 H 1 1.790 0.04 . 2 . . . . . 43 ARG HG3 . 28112 1 583 . 1 . 1 43 43 ARG HD2 H 1 3.070 0.04 . 2 . . . . . 43 ARG HD2 . 28112 1 584 . 1 . 1 43 43 ARG HD3 H 1 3.102 0.04 . 2 . . . . . 43 ARG HD3 . 28112 1 585 . 1 . 1 43 43 ARG C C 13 178.542 0.4 . 1 . . . . . 43 ARG C . 28112 1 586 . 1 . 1 43 43 ARG CA C 13 58.560 0.4 . 1 . . . . . 43 ARG CA . 28112 1 587 . 1 . 1 43 43 ARG CB C 13 30.877 0.4 . 1 . . . . . 43 ARG CB . 28112 1 588 . 1 . 1 43 43 ARG CG C 13 27.585 0.4 . 1 . . . . . 43 ARG CG . 28112 1 589 . 1 . 1 43 43 ARG CD C 13 43.605 0.4 . 1 . . . . . 43 ARG CD . 28112 1 590 . 1 . 1 43 43 ARG N N 15 118.891 0.2 . 1 . . . . . 43 ARG N . 28112 1 591 . 1 . 1 44 44 LEU H H 1 8.035 0.04 . 1 . . . . . 44 LEU H . 28112 1 592 . 1 . 1 44 44 LEU HA H 1 4.096 0.04 . 1 . . . . . 44 LEU HA . 28112 1 593 . 1 . 1 44 44 LEU HB2 H 1 1.399 0.04 . 2 . . . . . 44 LEU HB2 . 28112 1 594 . 1 . 1 44 44 LEU HB3 H 1 1.704 0.04 . 2 . . . . . 44 LEU HB3 . 28112 1 595 . 1 . 1 44 44 LEU HG H 1 1.643 0.04 . 1 . . . . . 44 LEU HG . 28112 1 596 . 1 . 1 44 44 LEU HD11 H 1 0.655 0.04 . 2 . . . . . 44 LEU HD1* . 28112 1 597 . 1 . 1 44 44 LEU HD12 H 1 0.655 0.04 . 2 . . . . . 44 LEU HD1* . 28112 1 598 . 1 . 1 44 44 LEU HD13 H 1 0.655 0.04 . 2 . . . . . 44 LEU HD1* . 28112 1 599 . 1 . 1 44 44 LEU HD21 H 1 0.802 0.04 . 2 . . . . . 44 LEU HD2* . 28112 1 600 . 1 . 1 44 44 LEU HD22 H 1 0.802 0.04 . 2 . . . . . 44 LEU HD2* . 28112 1 601 . 1 . 1 44 44 LEU HD23 H 1 0.802 0.04 . 2 . . . . . 44 LEU HD2* . 28112 1 602 . 1 . 1 44 44 LEU C C 13 177.290 0.4 . 1 . . . . . 44 LEU C . 28112 1 603 . 1 . 1 44 44 LEU CA C 13 55.778 0.4 . 1 . . . . . 44 LEU CA . 28112 1 604 . 1 . 1 44 44 LEU CB C 13 42.675 0.4 . 1 . . . . . 44 LEU CB . 28112 1 605 . 1 . 1 44 44 LEU CG C 13 27.261 0.4 . 1 . . . . . 44 LEU CG . 28112 1 606 . 1 . 1 44 44 LEU CD1 C 13 26.029 0.4 . 2 . . . . . 44 LEU CD1 . 28112 1 607 . 1 . 1 44 44 LEU CD2 C 13 23.647 0.4 . 2 . . . . . 44 LEU CD2 . 28112 1 608 . 1 . 1 44 44 LEU N N 15 118.751 0.2 . 1 . . . . . 44 LEU N . 28112 1 609 . 1 . 1 45 45 LYS H H 1 7.365 0.04 . 1 . . . . . 45 LYS H . 28112 1 610 . 1 . 1 45 45 LYS HA H 1 4.091 0.04 . 1 . . . . . 45 LYS HA . 28112 1 611 . 1 . 1 45 45 LYS HB2 H 1 1.790 0.04 . 1 . . . . . 45 LYS HB2 . 28112 1 612 . 1 . 1 45 45 LYS HB3 H 1 1.790 0.04 . 1 . . . . . 45 LYS HB3 . 28112 1 613 . 1 . 1 45 45 LYS HG2 H 1 1.385 0.04 . 2 . . . . . 45 LYS HG2 . 28112 1 614 . 1 . 1 45 45 LYS HG3 H 1 1.461 0.04 . 2 . . . . . 45 LYS HG3 . 28112 1 615 . 1 . 1 45 45 LYS HD2 H 1 1.573 0.04 . 1 . . . . . 45 LYS HD2 . 28112 1 616 . 1 . 1 45 45 LYS HD3 H 1 1.573 0.04 . 1 . . . . . 45 LYS HD3 . 28112 1 617 . 1 . 1 45 45 LYS HE2 H 1 2.864 0.04 . 1 . . . . . 45 LYS HE2 . 28112 1 618 . 1 . 1 45 45 LYS HE3 H 1 2.864 0.04 . 1 . . . . . 45 LYS HE3 . 28112 1 619 . 1 . 1 45 45 LYS C C 13 175.761 0.4 . 1 . . . . . 45 LYS C . 28112 1 620 . 1 . 1 45 45 LYS CA C 13 57.160 0.4 . 1 . . . . . 45 LYS CA . 28112 1 621 . 1 . 1 45 45 LYS CB C 13 32.457 0.4 . 1 . . . . . 45 LYS CB . 28112 1 622 . 1 . 1 45 45 LYS CG C 13 24.815 0.4 . 1 . . . . . 45 LYS CG . 28112 1 623 . 1 . 1 45 45 LYS CD C 13 29.264 0.4 . 1 . . . . . 45 LYS CD . 28112 1 624 . 1 . 1 45 45 LYS CE C 13 41.998 0.4 . 1 . . . . . 45 LYS CE . 28112 1 625 . 1 . 1 45 45 LYS N N 15 120.241 0.2 . 1 . . . . . 45 LYS N . 28112 1 626 . 1 . 1 46 46 LYS H H 1 7.605 0.04 . 1 . . . . . 46 LYS H . 28112 1 627 . 1 . 1 46 46 LYS HA H 1 4.011 0.04 . 1 . . . . . 46 LYS HA . 28112 1 628 . 1 . 1 46 46 LYS HB2 H 1 1.624 0.04 . 2 . . . . . 46 LYS HB2 . 28112 1 629 . 1 . 1 46 46 LYS HB3 H 1 1.719 0.04 . 2 . . . . . 46 LYS HB3 . 28112 1 630 . 1 . 1 46 46 LYS HG2 H 1 1.330 0.04 . 1 . . . . . 46 LYS HG2 . 28112 1 631 . 1 . 1 46 46 LYS HG3 H 1 1.330 0.04 . 1 . . . . . 46 LYS HG3 . 28112 1 632 . 1 . 1 46 46 LYS HD2 H 1 1.570 0.04 . 1 . . . . . 46 LYS HD2 . 28112 1 633 . 1 . 1 46 46 LYS HD3 H 1 1.570 0.04 . 1 . . . . . 46 LYS HD3 . 28112 1 634 . 1 . 1 46 46 LYS HE2 H 1 2.880 0.04 . 1 . . . . . 46 LYS HE2 . 28112 1 635 . 1 . 1 46 46 LYS HE3 H 1 2.880 0.04 . 1 . . . . . 46 LYS HE3 . 28112 1 636 . 1 . 1 46 46 LYS C C 13 181.269 0.4 . 1 . . . . . 46 LYS C . 28112 1 637 . 1 . 1 46 46 LYS CA C 13 57.938 0.4 . 1 . . . . . 46 LYS CA . 28112 1 638 . 1 . 1 46 46 LYS CB C 13 33.468 0.4 . 1 . . . . . 46 LYS CB . 28112 1 639 . 1 . 1 46 46 LYS CG C 13 24.801 0.4 . 1 . . . . . 46 LYS CG . 28112 1 640 . 1 . 1 46 46 LYS CD C 13 29.209 0.4 . 1 . . . . . 46 LYS CD . 28112 1 641 . 1 . 1 46 46 LYS CE C 13 42.128 0.4 . 1 . . . . . 46 LYS CE . 28112 1 642 . 1 . 1 46 46 LYS N N 15 127.193 0.2 . 1 . . . . . 46 LYS N . 28112 1 stop_ save_