data_34446 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34446 _Entry.Title ; Bam_5924 docking domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-08 _Entry.Accession_date 2019-11-08 _Entry.Last_release_date 2019-12-03 _Entry.Original_release_date 2019-12-03 _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34446 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 F. Risser F. . . . 34446 2 B. Chagot B. . . . 34446 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PROTEIN BINDING' . 34446 'docking domain' . 34446 'polyketide synthase' . 34446 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34446 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 386 34446 '15N chemical shifts' 100 34446 '1H chemical shifts' 650 34446 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 . . 2021-09-13 2019-11-08 update BMRB 'update entry citation' 34446 1 . . 2020-08-06 2019-11-08 original author 'original release' 34446 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6TDD . 34446 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34446 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32717326 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Towards improved understanding of intersubunit interactions in modular polyketide biosynthesis: Docking in the enacyloxin IIa polyketide synthase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full 'Journal of structural biology' _Citation.Journal_volume 212 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-8657 _Citation.Journal_CSD 0353 _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 107581 _Citation.Page_last 107581 _Citation.Year 2020 _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 F. Risser F. . . . 34446 1 2 S. Collin S. . . . 34446 1 3 R. 'Dos Santos-Morais' R. . . . 34446 1 4 A. Gruez A. . . . 34446 1 5 B. Chagot B. . . . 34446 1 6 K. Weissman K. J. . . 34446 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34446 _Assembly.ID 1 _Assembly.Name 'Beta-ketoacyl synthase' _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' 1 $entity_1 A A yes . . . . . . 34446 1 2 'entity_1, 2' 1 $entity_1 B B yes . . . . . . 34446 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34446 _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,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGSMNKPTSSDGWKDDYLS RLSRLSKNQLMALALKLKQQ QLEQG ; _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 45 _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 5026.728 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Dimeric protein' _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 . GLY . 34446 1 2 . PRO . 34446 1 3 . GLY . 34446 1 4 . SER . 34446 1 5 . MET . 34446 1 6 . ASN . 34446 1 7 . LYS . 34446 1 8 . PRO . 34446 1 9 . THR . 34446 1 10 . SER . 34446 1 11 . SER . 34446 1 12 . ASP . 34446 1 13 . GLY . 34446 1 14 . TRP . 34446 1 15 . LYS . 34446 1 16 . ASP . 34446 1 17 . ASP . 34446 1 18 . TYR . 34446 1 19 . LEU . 34446 1 20 . SER . 34446 1 21 . ARG . 34446 1 22 . LEU . 34446 1 23 . SER . 34446 1 24 . ARG . 34446 1 25 . LEU . 34446 1 26 . SER . 34446 1 27 . LYS . 34446 1 28 . ASN . 34446 1 29 . GLN . 34446 1 30 . LEU . 34446 1 31 . MET . 34446 1 32 . ALA . 34446 1 33 . LEU . 34446 1 34 . ALA . 34446 1 35 . LEU . 34446 1 36 . LYS . 34446 1 37 . LEU . 34446 1 38 . LYS . 34446 1 39 . GLN . 34446 1 40 . GLN . 34446 1 41 . GLN . 34446 1 42 . LEU . 34446 1 43 . GLU . 34446 1 44 . GLN . 34446 1 45 . GLY . 34446 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 . GLY 1 1 34446 1 . PRO 2 2 34446 1 . GLY 3 3 34446 1 . SER 4 4 34446 1 . MET 5 5 34446 1 . ASN 6 6 34446 1 . LYS 7 7 34446 1 . PRO 8 8 34446 1 . THR 9 9 34446 1 . SER 10 10 34446 1 . SER 11 11 34446 1 . ASP 12 12 34446 1 . GLY 13 13 34446 1 . TRP 14 14 34446 1 . LYS 15 15 34446 1 . ASP 16 16 34446 1 . ASP 17 17 34446 1 . TYR 18 18 34446 1 . LEU 19 19 34446 1 . SER 20 20 34446 1 . ARG 21 21 34446 1 . LEU 22 22 34446 1 . SER 23 23 34446 1 . ARG 24 24 34446 1 . LEU 25 25 34446 1 . SER 26 26 34446 1 . LYS 27 27 34446 1 . ASN 28 28 34446 1 . GLN 29 29 34446 1 . LEU 30 30 34446 1 . MET 31 31 34446 1 . ALA 32 32 34446 1 . LEU 33 33 34446 1 . ALA 34 34 34446 1 . LEU 35 35 34446 1 . LYS 36 36 34446 1 . LEU 37 37 34446 1 . LYS 38 38 34446 1 . GLN 39 39 34446 1 . GLN 40 40 34446 1 . GLN 41 41 34446 1 . LEU 42 42 34446 1 . GLU 43 43 34446 1 . GLN 44 44 34446 1 . GLY 45 45 34446 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 34446 _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 . 339670 organism . 'Burkholderia ambifaria AMMD' 'Burkholderia ambifaria AMMD' . . Bacteria . Burkholderia ambifaria . . . . . . . . . . . Bamb_5924 . 34446 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 34446 _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 . . . plasmid . . pBG102 . . . 34446 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34446 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 mM U- sodium phosphate, 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 entity_1 . . . 1 $entity_1 . . . . . mM . . . . 34446 1 2 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 34446 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 34446 _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' 0.1 . M 34446 1 pH 6.5 . pH 34446 1 pressure 1 . atm 34446 1 temperature 298 . K 34446 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34446 _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' . . 34446 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34446 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34446 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34446 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34446 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34446 _Software.ID 3 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34446 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34446 3 'peak picking' . 34446 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34446 _Software.ID 4 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34446 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34446 4 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 34446 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 34446 _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 DRX . 600 . . . 34446 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 34446 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34446 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34446 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34446 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34446 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34446 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34446 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34446 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34446 1 9 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34446 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34446 1 11 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34446 1 12 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34446 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 34446 _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 internal indirect 0.251449530 . . . . . 34446 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 34446 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 34446 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 34446 _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' . . . 34446 1 2 '2D 1H-13C HSQC aliphatic' . . . 34446 1 3 '2D 1H-13C HSQC aromatic' . . . 34446 1 4 '3D CBCA(CO)NH' . . . 34446 1 5 '3D HNCO' . . . 34446 1 6 '3D 1H-13C NOESY aromatic' . . . 34446 1 7 '3D 1H-13C NOESY aliphatic' . . . 34446 1 8 '3D 1H-15N NOESY' . . . 34446 1 9 '3D C(CO)NH' . . . 34446 1 10 '3D HCCH-TOCSY' . . . 34446 1 11 '3D H(CCO)NH' . . . 34446 1 12 '3D HNCACB' . . . 34446 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 GLY HA2 H 1 3.983 0.001 . . . . . . A 1 GLY HA2 . 34446 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.983 0.001 . . . . . . A 1 GLY HA3 . 34446 1 3 . 1 . 1 1 1 GLY CA C 13 43.429 0.027 . . . . . . A 1 GLY CA . 34446 1 4 . 1 . 1 2 2 PRO HA H 1 4.477 0.003 . . . . . . A 2 PRO HA . 34446 1 5 . 1 . 1 2 2 PRO HB2 H 1 1.995 0.008 . . . . . . A 2 PRO HB2 . 34446 1 6 . 1 . 1 2 2 PRO HB3 H 1 2.315 0.002 . . . . . . A 2 PRO HB3 . 34446 1 7 . 1 . 1 2 2 PRO HG2 H 1 2.034 0.004 . . . . . . A 2 PRO HG2 . 34446 1 8 . 1 . 1 2 2 PRO HG3 H 1 2.034 0.004 . . . . . . A 2 PRO HG3 . 34446 1 9 . 1 . 1 2 2 PRO HD2 H 1 3.576 0.006 . . . . . . A 2 PRO HD2 . 34446 1 10 . 1 . 1 2 2 PRO HD3 H 1 3.610 0.005 . . . . . . A 2 PRO HD3 . 34446 1 11 . 1 . 1 2 2 PRO C C 13 176.308 0.000 . . . . . . A 2 PRO C . 34446 1 12 . 1 . 1 2 2 PRO CA C 13 63.526 0.034 . . . . . . A 2 PRO CA . 34446 1 13 . 1 . 1 2 2 PRO CB C 13 32.210 0.024 . . . . . . A 2 PRO CB . 34446 1 14 . 1 . 1 2 2 PRO CG C 13 27.077 0.026 . . . . . . A 2 PRO CG . 34446 1 15 . 1 . 1 2 2 PRO CD C 13 49.737 0.231 . . . . . . A 2 PRO CD . 34446 1 16 . 1 . 1 3 3 GLY H H 1 8.684 0.001 . . . . . . A 3 GLY H . 34446 1 17 . 1 . 1 3 3 GLY HA2 H 1 3.987 0.003 . . . . . . A 3 GLY HA2 . 34446 1 18 . 1 . 1 3 3 GLY HA3 H 1 3.987 0.003 . . . . . . A 3 GLY HA3 . 34446 1 19 . 1 . 1 3 3 GLY C C 13 173.132 0.000 . . . . . . A 3 GLY C . 34446 1 20 . 1 . 1 3 3 GLY CA C 13 45.441 0.080 . . . . . . A 3 GLY CA . 34446 1 21 . 1 . 1 3 3 GLY N N 15 109.973 0.020 . . . . . . A 3 GLY N . 34446 1 22 . 1 . 1 4 4 SER H H 1 8.203 0.001 . . . . . . A 4 SER H . 34446 1 23 . 1 . 1 4 4 SER HA H 1 4.434 0.004 . . . . . . A 4 SER HA . 34446 1 24 . 1 . 1 4 4 SER HB2 H 1 3.877 0.005 . . . . . . A 4 SER HB2 . 34446 1 25 . 1 . 1 4 4 SER HB3 H 1 3.877 0.005 . . . . . . A 4 SER HB3 . 34446 1 26 . 1 . 1 4 4 SER C C 13 173.494 0.000 . . . . . . A 4 SER C . 34446 1 27 . 1 . 1 4 4 SER CA C 13 58.555 0.079 . . . . . . A 4 SER CA . 34446 1 28 . 1 . 1 4 4 SER CB C 13 63.816 0.019 . . . . . . A 4 SER CB . 34446 1 29 . 1 . 1 4 4 SER N N 15 115.630 0.013 . . . . . . A 4 SER N . 34446 1 30 . 1 . 1 5 5 MET H H 1 8.463 0.003 . . . . . . A 5 MET H . 34446 1 31 . 1 . 1 5 5 MET HA H 1 4.487 0.002 . . . . . . A 5 MET HA . 34446 1 32 . 1 . 1 5 5 MET HB2 H 1 2.006 0.003 . . . . . . A 5 MET HB2 . 34446 1 33 . 1 . 1 5 5 MET HB3 H 1 2.089 0.008 . . . . . . A 5 MET HB3 . 34446 1 34 . 1 . 1 5 5 MET HG2 H 1 2.527 0.010 . . . . . . A 5 MET HG2 . 34446 1 35 . 1 . 1 5 5 MET HG3 H 1 2.597 0.010 . . . . . . A 5 MET HG3 . 34446 1 36 . 1 . 1 5 5 MET HE1 H 1 2.086 0.000 . . . . . . A 5 MET HE1 . 34446 1 37 . 1 . 1 5 5 MET HE2 H 1 2.086 0.000 . . . . . . A 5 MET HE2 . 34446 1 38 . 1 . 1 5 5 MET HE3 H 1 2.086 0.000 . . . . . . A 5 MET HE3 . 34446 1 39 . 1 . 1 5 5 MET C C 13 174.671 0.000 . . . . . . A 5 MET C . 34446 1 40 . 1 . 1 5 5 MET CA C 13 55.648 0.090 . . . . . . A 5 MET CA . 34446 1 41 . 1 . 1 5 5 MET CB C 13 32.669 0.034 . . . . . . A 5 MET CB . 34446 1 42 . 1 . 1 5 5 MET CG C 13 31.995 0.015 . . . . . . A 5 MET CG . 34446 1 43 . 1 . 1 5 5 MET CE C 13 16.938 0.011 . . . . . . A 5 MET CE . 34446 1 44 . 1 . 1 5 5 MET N N 15 121.828 0.009 . . . . . . A 5 MET N . 34446 1 45 . 1 . 1 6 6 ASN H H 1 8.403 0.003 . . . . . . A 6 ASN H . 34446 1 46 . 1 . 1 6 6 ASN HA H 1 4.676 0.005 . . . . . . A 6 ASN HA . 34446 1 47 . 1 . 1 6 6 ASN HB2 H 1 2.713 0.010 . . . . . . A 6 ASN HB2 . 34446 1 48 . 1 . 1 6 6 ASN HB3 H 1 2.783 0.013 . . . . . . A 6 ASN HB3 . 34446 1 49 . 1 . 1 6 6 ASN HD21 H 1 7.615 0.001 . . . . . . A 6 ASN HD21 . 34446 1 50 . 1 . 1 6 6 ASN HD22 H 1 6.937 0.008 . . . . . . A 6 ASN HD22 . 34446 1 51 . 1 . 1 6 6 ASN C C 13 173.417 0.000 . . . . . . A 6 ASN C . 34446 1 52 . 1 . 1 6 6 ASN CA C 13 53.263 0.058 . . . . . . A 6 ASN CA . 34446 1 53 . 1 . 1 6 6 ASN CB C 13 38.931 0.042 . . . . . . A 6 ASN CB . 34446 1 54 . 1 . 1 6 6 ASN N N 15 119.748 0.009 . . . . . . A 6 ASN N . 34446 1 55 . 1 . 1 6 6 ASN ND2 N 15 113.171 0.007 . . . . . . A 6 ASN ND2 . 34446 1 56 . 1 . 1 7 7 LYS H H 1 8.239 0.002 . . . . . . A 7 LYS H . 34446 1 57 . 1 . 1 7 7 LYS HA H 1 4.604 0.002 . . . . . . A 7 LYS HA . 34446 1 58 . 1 . 1 7 7 LYS HB2 H 1 1.717 0.009 . . . . . . A 7 LYS HB2 . 34446 1 59 . 1 . 1 7 7 LYS HB3 H 1 1.811 0.006 . . . . . . A 7 LYS HB3 . 34446 1 60 . 1 . 1 7 7 LYS HG2 H 1 1.432 0.005 . . . . . . A 7 LYS HG2 . 34446 1 61 . 1 . 1 7 7 LYS HG3 H 1 1.456 0.003 . . . . . . A 7 LYS HG3 . 34446 1 62 . 1 . 1 7 7 LYS HD2 H 1 1.685 0.002 . . . . . . A 7 LYS HD2 . 34446 1 63 . 1 . 1 7 7 LYS HD3 H 1 1.685 0.002 . . . . . . A 7 LYS HD3 . 34446 1 64 . 1 . 1 7 7 LYS HE2 H 1 2.994 0.002 . . . . . . A 7 LYS HE2 . 34446 1 65 . 1 . 1 7 7 LYS HE3 H 1 2.994 0.002 . . . . . . A 7 LYS HE3 . 34446 1 66 . 1 . 1 7 7 LYS CA C 13 54.305 0.048 . . . . . . A 7 LYS CA . 34446 1 67 . 1 . 1 7 7 LYS CB C 13 32.641 0.037 . . . . . . A 7 LYS CB . 34446 1 68 . 1 . 1 7 7 LYS CG C 13 24.567 0.025 . . . . . . A 7 LYS CG . 34446 1 69 . 1 . 1 7 7 LYS CD C 13 29.258 0.035 . . . . . . A 7 LYS CD . 34446 1 70 . 1 . 1 7 7 LYS CE C 13 42.186 0.061 . . . . . . A 7 LYS CE . 34446 1 71 . 1 . 1 7 7 LYS N N 15 122.742 0.010 . . . . . . A 7 LYS N . 34446 1 72 . 1 . 1 8 8 PRO HA H 1 4.508 0.003 . . . . . . A 8 PRO HA . 34446 1 73 . 1 . 1 8 8 PRO HB2 H 1 1.926 0.007 . . . . . . A 8 PRO HB2 . 34446 1 74 . 1 . 1 8 8 PRO HB3 H 1 2.314 0.003 . . . . . . A 8 PRO HB3 . 34446 1 75 . 1 . 1 8 8 PRO HG2 H 1 2.028 0.067 . . . . . . A 8 PRO HG2 . 34446 1 76 . 1 . 1 8 8 PRO HG3 H 1 2.028 0.067 . . . . . . A 8 PRO HG3 . 34446 1 77 . 1 . 1 8 8 PRO HD2 H 1 3.644 0.004 . . . . . . A 8 PRO HD2 . 34446 1 78 . 1 . 1 8 8 PRO HD3 H 1 3.804 0.008 . . . . . . A 8 PRO HD3 . 34446 1 79 . 1 . 1 8 8 PRO C C 13 175.988 0.000 . . . . . . A 8 PRO C . 34446 1 80 . 1 . 1 8 8 PRO CA C 13 63.273 0.041 . . . . . . A 8 PRO CA . 34446 1 81 . 1 . 1 8 8 PRO CB C 13 32.188 0.022 . . . . . . A 8 PRO CB . 34446 1 82 . 1 . 1 8 8 PRO CG C 13 27.372 0.059 . . . . . . A 8 PRO CG . 34446 1 83 . 1 . 1 8 8 PRO CD C 13 50.698 0.023 . . . . . . A 8 PRO CD . 34446 1 84 . 1 . 1 9 9 THR H H 1 8.311 0.001 . . . . . . A 9 THR H . 34446 1 85 . 1 . 1 9 9 THR HA H 1 4.308 0.008 . . . . . . A 9 THR HA . 34446 1 86 . 1 . 1 9 9 THR HB H 1 4.231 0.004 . . . . . . A 9 THR HB . 34446 1 87 . 1 . 1 9 9 THR HG21 H 1 1.187 0.002 . . . . . . A 9 THR HG21 . 34446 1 88 . 1 . 1 9 9 THR HG22 H 1 1.187 0.002 . . . . . . A 9 THR HG22 . 34446 1 89 . 1 . 1 9 9 THR HG23 H 1 1.187 0.002 . . . . . . A 9 THR HG23 . 34446 1 90 . 1 . 1 9 9 THR C C 13 173.520 0.000 . . . . . . A 9 THR C . 34446 1 91 . 1 . 1 9 9 THR CA C 13 61.895 0.062 . . . . . . A 9 THR CA . 34446 1 92 . 1 . 1 9 9 THR CB C 13 69.910 0.105 . . . . . . A 9 THR CB . 34446 1 93 . 1 . 1 9 9 THR CG2 C 13 21.678 0.038 . . . . . . A 9 THR CG2 . 34446 1 94 . 1 . 1 9 9 THR N N 15 114.115 0.011 . . . . . . A 9 THR N . 34446 1 95 . 1 . 1 10 10 SER H H 1 8.341 0.004 . . . . . . A 10 SER H . 34446 1 96 . 1 . 1 10 10 SER HA H 1 4.514 0.005 . . . . . . A 10 SER HA . 34446 1 97 . 1 . 1 10 10 SER HB2 H 1 3.864 0.001 . . . . . . A 10 SER HB2 . 34446 1 98 . 1 . 1 10 10 SER HB3 H 1 3.919 0.030 . . . . . . A 10 SER HB3 . 34446 1 99 . 1 . 1 10 10 SER C C 13 173.685 0.000 . . . . . . A 10 SER C . 34446 1 100 . 1 . 1 10 10 SER CA C 13 58.324 0.070 . . . . . . A 10 SER CA . 34446 1 101 . 1 . 1 10 10 SER CB C 13 63.992 0.018 . . . . . . A 10 SER CB . 34446 1 102 . 1 . 1 10 10 SER N N 15 117.626 0.015 . . . . . . A 10 SER N . 34446 1 103 . 1 . 1 11 11 SER H H 1 8.516 0.008 . . . . . . A 11 SER H . 34446 1 104 . 1 . 1 11 11 SER HA H 1 4.542 0.002 . . . . . . A 11 SER HA . 34446 1 105 . 1 . 1 11 11 SER HB2 H 1 3.917 0.000 . . . . . . A 11 SER HB2 . 34446 1 106 . 1 . 1 11 11 SER HB3 H 1 3.982 0.010 . . . . . . A 11 SER HB3 . 34446 1 107 . 1 . 1 11 11 SER C C 13 173.448 0.000 . . . . . . A 11 SER C . 34446 1 108 . 1 . 1 11 11 SER CA C 13 58.722 0.050 . . . . . . A 11 SER CA . 34446 1 109 . 1 . 1 11 11 SER CB C 13 63.937 0.092 . . . . . . A 11 SER CB . 34446 1 110 . 1 . 1 11 11 SER N N 15 118.217 0.012 . . . . . . A 11 SER N . 34446 1 111 . 1 . 1 12 12 ASP H H 1 8.431 0.009 . . . . . . A 12 ASP H . 34446 1 112 . 1 . 1 12 12 ASP HA H 1 4.668 0.008 . . . . . . A 12 ASP HA . 34446 1 113 . 1 . 1 12 12 ASP HB2 H 1 2.639 0.008 . . . . . . A 12 ASP HB2 . 34446 1 114 . 1 . 1 12 12 ASP HB3 H 1 2.702 0.006 . . . . . . A 12 ASP HB3 . 34446 1 115 . 1 . 1 12 12 ASP C C 13 176.189 0.000 . . . . . . A 12 ASP C . 34446 1 116 . 1 . 1 12 12 ASP CA C 13 55.077 0.127 . . . . . . A 12 ASP CA . 34446 1 117 . 1 . 1 12 12 ASP CB C 13 41.044 0.043 . . . . . . A 12 ASP CB . 34446 1 118 . 1 . 1 12 12 ASP N N 15 121.834 0.018 . . . . . . A 12 ASP N . 34446 1 119 . 1 . 1 13 13 GLY H H 1 8.470 0.003 . . . . . . A 13 GLY H . 34446 1 120 . 1 . 1 13 13 GLY HA2 H 1 3.984 0.004 . . . . . . A 13 GLY HA2 . 34446 1 121 . 1 . 1 13 13 GLY HA3 H 1 3.984 0.004 . . . . . . A 13 GLY HA3 . 34446 1 122 . 1 . 1 13 13 GLY C C 13 173.984 0.000 . . . . . . A 13 GLY C . 34446 1 123 . 1 . 1 13 13 GLY CA C 13 46.770 0.072 . . . . . . A 13 GLY CA . 34446 1 124 . 1 . 1 13 13 GLY N N 15 109.592 0.011 . . . . . . A 13 GLY N . 34446 1 125 . 1 . 1 14 14 TRP H H 1 7.971 0.004 . . . . . . A 14 TRP H . 34446 1 126 . 1 . 1 14 14 TRP HA H 1 4.473 0.005 . . . . . . A 14 TRP HA . 34446 1 127 . 1 . 1 14 14 TRP HB2 H 1 3.260 0.006 . . . . . . A 14 TRP HB2 . 34446 1 128 . 1 . 1 14 14 TRP HB3 H 1 3.491 0.004 . . . . . . A 14 TRP HB3 . 34446 1 129 . 1 . 1 14 14 TRP HD1 H 1 7.463 0.011 . . . . . . A 14 TRP HD1 . 34446 1 130 . 1 . 1 14 14 TRP HE1 H 1 10.339 0.004 . . . . . . A 14 TRP HE1 . 34446 1 131 . 1 . 1 14 14 TRP HE3 H 1 7.288 0.011 . . . . . . A 14 TRP HE3 . 34446 1 132 . 1 . 1 14 14 TRP HZ2 H 1 7.116 0.003 . . . . . . A 14 TRP HZ2 . 34446 1 133 . 1 . 1 14 14 TRP HZ3 H 1 6.480 0.006 . . . . . . A 14 TRP HZ3 . 34446 1 134 . 1 . 1 14 14 TRP HH2 H 1 6.799 0.012 . . . . . . A 14 TRP HH2 . 34446 1 135 . 1 . 1 14 14 TRP C C 13 176.546 0.000 . . . . . . A 14 TRP C . 34446 1 136 . 1 . 1 14 14 TRP CA C 13 59.002 0.075 . . . . . . A 14 TRP CA . 34446 1 137 . 1 . 1 14 14 TRP CB C 13 28.547 0.059 . . . . . . A 14 TRP CB . 34446 1 138 . 1 . 1 14 14 TRP CD1 C 13 127.705 0.141 . . . . . . A 14 TRP CD1 . 34446 1 139 . 1 . 1 14 14 TRP CE3 C 13 120.994 0.165 . . . . . . A 14 TRP CE3 . 34446 1 140 . 1 . 1 14 14 TRP CZ2 C 13 114.302 0.064 . . . . . . A 14 TRP CZ2 . 34446 1 141 . 1 . 1 14 14 TRP CZ3 C 13 120.907 0.007 . . . . . . A 14 TRP CZ3 . 34446 1 142 . 1 . 1 14 14 TRP CH2 C 13 123.434 0.010 . . . . . . A 14 TRP CH2 . 34446 1 143 . 1 . 1 14 14 TRP N N 15 120.347 0.021 . . . . . . A 14 TRP N . 34446 1 144 . 1 . 1 14 14 TRP NE1 N 15 130.260 0.026 . . . . . . A 14 TRP NE1 . 34446 1 145 . 1 . 1 15 15 LYS H H 1 7.389 0.010 . . . . . . A 15 LYS H . 34446 1 146 . 1 . 1 15 15 LYS HA H 1 3.132 0.002 . . . . . . A 15 LYS HA . 34446 1 147 . 1 . 1 15 15 LYS HB2 H 1 1.390 0.004 . . . . . . A 15 LYS HB2 . 34446 1 148 . 1 . 1 15 15 LYS HB3 H 1 1.390 0.004 . . . . . . A 15 LYS HB3 . 34446 1 149 . 1 . 1 15 15 LYS HG2 H 1 0.361 0.004 . . . . . . A 15 LYS HG2 . 34446 1 150 . 1 . 1 15 15 LYS HG3 H 1 0.549 0.007 . . . . . . A 15 LYS HG3 . 34446 1 151 . 1 . 1 15 15 LYS HD2 H 1 1.452 0.006 . . . . . . A 15 LYS HD2 . 34446 1 152 . 1 . 1 15 15 LYS HD3 H 1 1.452 0.006 . . . . . . A 15 LYS HD3 . 34446 1 153 . 1 . 1 15 15 LYS HE2 H 1 2.790 0.007 . . . . . . A 15 LYS HE2 . 34446 1 154 . 1 . 1 15 15 LYS HE3 H 1 2.790 0.007 . . . . . . A 15 LYS HE3 . 34446 1 155 . 1 . 1 15 15 LYS C C 13 176.224 0.000 . . . . . . A 15 LYS C . 34446 1 156 . 1 . 1 15 15 LYS CA C 13 60.224 0.048 . . . . . . A 15 LYS CA . 34446 1 157 . 1 . 1 15 15 LYS CB C 13 31.942 0.039 . . . . . . A 15 LYS CB . 34446 1 158 . 1 . 1 15 15 LYS CG C 13 24.494 0.022 . . . . . . A 15 LYS CG . 34446 1 159 . 1 . 1 15 15 LYS CD C 13 29.473 0.034 . . . . . . A 15 LYS CD . 34446 1 160 . 1 . 1 15 15 LYS CE C 13 42.018 0.019 . . . . . . A 15 LYS CE . 34446 1 161 . 1 . 1 15 15 LYS N N 15 122.494 0.018 . . . . . . A 15 LYS N . 34446 1 162 . 1 . 1 16 16 ASP H H 1 7.789 0.003 . . . . . . A 16 ASP H . 34446 1 163 . 1 . 1 16 16 ASP HA H 1 4.310 0.004 . . . . . . A 16 ASP HA . 34446 1 164 . 1 . 1 16 16 ASP HB2 H 1 2.620 0.004 . . . . . . A 16 ASP HB2 . 34446 1 165 . 1 . 1 16 16 ASP HB3 H 1 2.620 0.004 . . . . . . A 16 ASP HB3 . 34446 1 166 . 1 . 1 16 16 ASP C C 13 177.901 0.000 . . . . . . A 16 ASP C . 34446 1 167 . 1 . 1 16 16 ASP CA C 13 57.456 0.097 . . . . . . A 16 ASP CA . 34446 1 168 . 1 . 1 16 16 ASP CB C 13 40.336 0.076 . . . . . . A 16 ASP CB . 34446 1 169 . 1 . 1 16 16 ASP N N 15 118.605 0.012 . . . . . . A 16 ASP N . 34446 1 170 . 1 . 1 17 17 ASP H H 1 7.994 0.004 . . . . . . A 17 ASP H . 34446 1 171 . 1 . 1 17 17 ASP HA H 1 4.399 0.004 . . . . . . A 17 ASP HA . 34446 1 172 . 1 . 1 17 17 ASP HB2 H 1 2.710 0.011 . . . . . . A 17 ASP HB2 . 34446 1 173 . 1 . 1 17 17 ASP HB3 H 1 2.783 0.004 . . . . . . A 17 ASP HB3 . 34446 1 174 . 1 . 1 17 17 ASP C C 13 176.807 0.008 . . . . . . A 17 ASP C . 34446 1 175 . 1 . 1 17 17 ASP CA C 13 57.144 0.115 . . . . . . A 17 ASP CA . 34446 1 176 . 1 . 1 17 17 ASP CB C 13 41.428 0.042 . . . . . . A 17 ASP CB . 34446 1 177 . 1 . 1 17 17 ASP N N 15 120.534 0.022 . . . . . . A 17 ASP N . 34446 1 178 . 1 . 1 18 18 TYR H H 1 8.384 0.010 . . . . . . A 18 TYR H . 34446 1 179 . 1 . 1 18 18 TYR HA H 1 4.167 0.005 . . . . . . A 18 TYR HA . 34446 1 180 . 1 . 1 18 18 TYR HB2 H 1 2.806 0.008 . . . . . . A 18 TYR HB2 . 34446 1 181 . 1 . 1 18 18 TYR HB3 H 1 3.123 0.009 . . . . . . A 18 TYR HB3 . 34446 1 182 . 1 . 1 18 18 TYR HD1 H 1 7.094 0.006 . . . . . . A 18 TYR HD1 . 34446 1 183 . 1 . 1 18 18 TYR HD2 H 1 7.094 0.006 . . . . . . A 18 TYR HD2 . 34446 1 184 . 1 . 1 18 18 TYR HE1 H 1 6.734 0.008 . . . . . . A 18 TYR HE1 . 34446 1 185 . 1 . 1 18 18 TYR HE2 H 1 6.734 0.008 . . . . . . A 18 TYR HE2 . 34446 1 186 . 1 . 1 18 18 TYR C C 13 176.874 0.000 . . . . . . A 18 TYR C . 34446 1 187 . 1 . 1 18 18 TYR CA C 13 62.632 0.072 . . . . . . A 18 TYR CA . 34446 1 188 . 1 . 1 18 18 TYR CB C 13 38.915 0.040 . . . . . . A 18 TYR CB . 34446 1 189 . 1 . 1 18 18 TYR CD1 C 13 132.627 0.028 . . . . . . A 18 TYR CD1 . 34446 1 190 . 1 . 1 18 18 TYR CE1 C 13 118.044 0.071 . . . . . . A 18 TYR CE1 . 34446 1 191 . 1 . 1 18 18 TYR N N 15 122.609 0.033 . . . . . . A 18 TYR N . 34446 1 192 . 1 . 1 19 19 LEU H H 1 8.637 0.005 . . . . . . A 19 LEU H . 34446 1 193 . 1 . 1 19 19 LEU HA H 1 3.901 0.005 . . . . . . A 19 LEU HA . 34446 1 194 . 1 . 1 19 19 LEU HB2 H 1 1.569 0.006 . . . . . . A 19 LEU HB2 . 34446 1 195 . 1 . 1 19 19 LEU HB3 H 1 1.847 0.009 . . . . . . A 19 LEU HB3 . 34446 1 196 . 1 . 1 19 19 LEU HG H 1 1.764 0.003 . . . . . . A 19 LEU HG . 34446 1 197 . 1 . 1 19 19 LEU HD11 H 1 0.892 0.002 . . . . . . A 19 LEU HD11 . 34446 1 198 . 1 . 1 19 19 LEU HD12 H 1 0.892 0.002 . . . . . . A 19 LEU HD12 . 34446 1 199 . 1 . 1 19 19 LEU HD13 H 1 0.892 0.002 . . . . . . A 19 LEU HD13 . 34446 1 200 . 1 . 1 19 19 LEU HD21 H 1 0.899 0.008 . . . . . . A 19 LEU HD21 . 34446 1 201 . 1 . 1 19 19 LEU HD22 H 1 0.899 0.008 . . . . . . A 19 LEU HD22 . 34446 1 202 . 1 . 1 19 19 LEU HD23 H 1 0.899 0.008 . . . . . . A 19 LEU HD23 . 34446 1 203 . 1 . 1 19 19 LEU C C 13 178.340 0.000 . . . . . . A 19 LEU C . 34446 1 204 . 1 . 1 19 19 LEU CA C 13 58.304 0.046 . . . . . . A 19 LEU CA . 34446 1 205 . 1 . 1 19 19 LEU CB C 13 41.720 0.037 . . . . . . A 19 LEU CB . 34446 1 206 . 1 . 1 19 19 LEU CG C 13 27.187 0.065 . . . . . . A 19 LEU CG . 34446 1 207 . 1 . 1 19 19 LEU CD1 C 13 23.846 0.070 . . . . . . A 19 LEU CD1 . 34446 1 208 . 1 . 1 19 19 LEU CD2 C 13 24.971 0.056 . . . . . . A 19 LEU CD2 . 34446 1 209 . 1 . 1 19 19 LEU N N 15 118.147 0.011 . . . . . . A 19 LEU N . 34446 1 210 . 1 . 1 20 20 SER H H 1 7.902 0.009 . . . . . . A 20 SER H . 34446 1 211 . 1 . 1 20 20 SER HA H 1 4.152 0.010 . . . . . . A 20 SER HA . 34446 1 212 . 1 . 1 20 20 SER HB2 H 1 4.018 0.005 . . . . . . A 20 SER HB2 . 34446 1 213 . 1 . 1 20 20 SER HB3 H 1 4.018 0.005 . . . . . . A 20 SER HB3 . 34446 1 214 . 1 . 1 20 20 SER C C 13 176.620 0.000 . . . . . . A 20 SER C . 34446 1 215 . 1 . 1 20 20 SER CA C 13 61.744 0.076 . . . . . . A 20 SER CA . 34446 1 216 . 1 . 1 20 20 SER CB C 13 62.567 0.078 . . . . . . A 20 SER CB . 34446 1 217 . 1 . 1 20 20 SER N N 15 114.699 0.032 . . . . . . A 20 SER N . 34446 1 218 . 1 . 1 21 21 ARG H H 1 7.754 0.004 . . . . . . A 21 ARG H . 34446 1 219 . 1 . 1 21 21 ARG HA H 1 3.970 0.006 . . . . . . A 21 ARG HA . 34446 1 220 . 1 . 1 21 21 ARG HB2 H 1 1.794 0.008 . . . . . . A 21 ARG HB2 . 34446 1 221 . 1 . 1 21 21 ARG HB3 H 1 1.883 0.002 . . . . . . A 21 ARG HB3 . 34446 1 222 . 1 . 1 21 21 ARG HG2 H 1 1.507 0.003 . . . . . . A 21 ARG HG2 . 34446 1 223 . 1 . 1 21 21 ARG HG3 H 1 1.507 0.003 . . . . . . A 21 ARG HG3 . 34446 1 224 . 1 . 1 21 21 ARG HD2 H 1 3.084 0.001 . . . . . . A 21 ARG HD2 . 34446 1 225 . 1 . 1 21 21 ARG HD3 H 1 3.153 0.009 . . . . . . A 21 ARG HD3 . 34446 1 226 . 1 . 1 21 21 ARG C C 13 178.647 0.000 . . . . . . A 21 ARG C . 34446 1 227 . 1 . 1 21 21 ARG CA C 13 59.580 0.072 . . . . . . A 21 ARG CA . 34446 1 228 . 1 . 1 21 21 ARG CB C 13 29.815 0.071 . . . . . . A 21 ARG CB . 34446 1 229 . 1 . 1 21 21 ARG CG C 13 27.740 0.077 . . . . . . A 21 ARG CG . 34446 1 230 . 1 . 1 21 21 ARG CD C 13 43.782 0.026 . . . . . . A 21 ARG CD . 34446 1 231 . 1 . 1 21 21 ARG N N 15 122.254 0.020 . . . . . . A 21 ARG N . 34446 1 232 . 1 . 1 22 22 LEU H H 1 8.331 0.003 . . . . . . A 22 LEU H . 34446 1 233 . 1 . 1 22 22 LEU HA H 1 3.830 0.008 . . . . . . A 22 LEU HA . 34446 1 234 . 1 . 1 22 22 LEU HB2 H 1 1.252 0.005 . . . . . . A 22 LEU HB2 . 34446 1 235 . 1 . 1 22 22 LEU HB3 H 1 1.930 0.006 . . . . . . A 22 LEU HB3 . 34446 1 236 . 1 . 1 22 22 LEU HG H 1 1.483 0.010 . . . . . . A 22 LEU HG . 34446 1 237 . 1 . 1 22 22 LEU HD11 H 1 0.496 0.004 . . . . . . A 22 LEU HD11 . 34446 1 238 . 1 . 1 22 22 LEU HD12 H 1 0.496 0.004 . . . . . . A 22 LEU HD12 . 34446 1 239 . 1 . 1 22 22 LEU HD13 H 1 0.496 0.004 . . . . . . A 22 LEU HD13 . 34446 1 240 . 1 . 1 22 22 LEU HD21 H 1 0.768 0.005 . . . . . . A 22 LEU HD21 . 34446 1 241 . 1 . 1 22 22 LEU HD22 H 1 0.768 0.005 . . . . . . A 22 LEU HD22 . 34446 1 242 . 1 . 1 22 22 LEU HD23 H 1 0.768 0.005 . . . . . . A 22 LEU HD23 . 34446 1 243 . 1 . 1 22 22 LEU C C 13 177.770 0.000 . . . . . . A 22 LEU C . 34446 1 244 . 1 . 1 22 22 LEU CA C 13 57.552 0.072 . . . . . . A 22 LEU CA . 34446 1 245 . 1 . 1 22 22 LEU CB C 13 42.165 0.015 . . . . . . A 22 LEU CB . 34446 1 246 . 1 . 1 22 22 LEU CG C 13 26.149 0.049 . . . . . . A 22 LEU CG . 34446 1 247 . 1 . 1 22 22 LEU CD1 C 13 22.607 0.103 . . . . . . A 22 LEU CD1 . 34446 1 248 . 1 . 1 22 22 LEU CD2 C 13 26.794 0.046 . . . . . . A 22 LEU CD2 . 34446 1 249 . 1 . 1 22 22 LEU N N 15 119.620 0.010 . . . . . . A 22 LEU N . 34446 1 250 . 1 . 1 23 23 SER H H 1 7.955 0.006 . . . . . . A 23 SER H . 34446 1 251 . 1 . 1 23 23 SER HA H 1 4.262 0.004 . . . . . . A 23 SER HA . 34446 1 252 . 1 . 1 23 23 SER HB2 H 1 4.019 0.002 . . . . . . A 23 SER HB2 . 34446 1 253 . 1 . 1 23 23 SER HB3 H 1 4.019 0.002 . . . . . . A 23 SER HB3 . 34446 1 254 . 1 . 1 23 23 SER C C 13 174.173 0.000 . . . . . . A 23 SER C . 34446 1 255 . 1 . 1 23 23 SER CA C 13 61.382 0.102 . . . . . . A 23 SER CA . 34446 1 256 . 1 . 1 23 23 SER CB C 13 63.279 0.125 . . . . . . A 23 SER CB . 34446 1 257 . 1 . 1 23 23 SER N N 15 111.453 0.018 . . . . . . A 23 SER N . 34446 1 258 . 1 . 1 24 24 ARG H H 1 7.173 0.007 . . . . . . A 24 ARG H . 34446 1 259 . 1 . 1 24 24 ARG HA H 1 4.364 0.005 . . . . . . A 24 ARG HA . 34446 1 260 . 1 . 1 24 24 ARG HB2 H 1 1.729 0.006 . . . . . . A 24 ARG HB2 . 34446 1 261 . 1 . 1 24 24 ARG HB3 H 1 2.085 0.006 . . . . . . A 24 ARG HB3 . 34446 1 262 . 1 . 1 24 24 ARG HG2 H 1 1.662 0.004 . . . . . . A 24 ARG HG2 . 34446 1 263 . 1 . 1 24 24 ARG HG3 H 1 1.782 0.007 . . . . . . A 24 ARG HG3 . 34446 1 264 . 1 . 1 24 24 ARG HD2 H 1 3.168 0.004 . . . . . . A 24 ARG HD2 . 34446 1 265 . 1 . 1 24 24 ARG HD3 H 1 3.206 0.007 . . . . . . A 24 ARG HD3 . 34446 1 266 . 1 . 1 24 24 ARG C C 13 175.255 0.000 . . . . . . A 24 ARG C . 34446 1 267 . 1 . 1 24 24 ARG CA C 13 56.056 0.056 . . . . . . A 24 ARG CA . 34446 1 268 . 1 . 1 24 24 ARG CB C 13 30.655 0.051 . . . . . . A 24 ARG CB . 34446 1 269 . 1 . 1 24 24 ARG CG C 13 27.556 0.074 . . . . . . A 24 ARG CG . 34446 1 270 . 1 . 1 24 24 ARG CD C 13 43.412 0.049 . . . . . . A 24 ARG CD . 34446 1 271 . 1 . 1 24 24 ARG N N 15 119.236 0.010 . . . . . . A 24 ARG N . 34446 1 272 . 1 . 1 25 25 LEU H H 1 7.525 0.005 . . . . . . A 25 LEU H . 34446 1 273 . 1 . 1 25 25 LEU HA H 1 4.514 0.003 . . . . . . A 25 LEU HA . 34446 1 274 . 1 . 1 25 25 LEU HB2 H 1 1.515 0.003 . . . . . . A 25 LEU HB2 . 34446 1 275 . 1 . 1 25 25 LEU HB3 H 1 1.971 0.009 . . . . . . A 25 LEU HB3 . 34446 1 276 . 1 . 1 25 25 LEU HG H 1 1.867 0.010 . . . . . . A 25 LEU HG . 34446 1 277 . 1 . 1 25 25 LEU HD11 H 1 0.740 0.007 . . . . . . A 25 LEU HD11 . 34446 1 278 . 1 . 1 25 25 LEU HD12 H 1 0.740 0.007 . . . . . . A 25 LEU HD12 . 34446 1 279 . 1 . 1 25 25 LEU HD13 H 1 0.740 0.007 . . . . . . A 25 LEU HD13 . 34446 1 280 . 1 . 1 25 25 LEU HD21 H 1 0.798 0.007 . . . . . . A 25 LEU HD21 . 34446 1 281 . 1 . 1 25 25 LEU HD22 H 1 0.798 0.007 . . . . . . A 25 LEU HD22 . 34446 1 282 . 1 . 1 25 25 LEU HD23 H 1 0.798 0.007 . . . . . . A 25 LEU HD23 . 34446 1 283 . 1 . 1 25 25 LEU C C 13 175.583 0.000 . . . . . . A 25 LEU C . 34446 1 284 . 1 . 1 25 25 LEU CA C 13 54.306 0.071 . . . . . . A 25 LEU CA . 34446 1 285 . 1 . 1 25 25 LEU CB C 13 42.636 0.066 . . . . . . A 25 LEU CB . 34446 1 286 . 1 . 1 25 25 LEU CG C 13 26.677 0.307 . . . . . . A 25 LEU CG . 34446 1 287 . 1 . 1 25 25 LEU CD1 C 13 22.209 0.018 . . . . . . A 25 LEU CD1 . 34446 1 288 . 1 . 1 25 25 LEU CD2 C 13 25.854 0.021 . . . . . . A 25 LEU CD2 . 34446 1 289 . 1 . 1 25 25 LEU N N 15 120.790 0.016 . . . . . . A 25 LEU N . 34446 1 290 . 1 . 1 26 26 SER H H 1 8.914 0.005 . . . . . . A 26 SER H . 34446 1 291 . 1 . 1 26 26 SER HA H 1 4.577 0.006 . . . . . . A 26 SER HA . 34446 1 292 . 1 . 1 26 26 SER HB2 H 1 4.022 0.006 . . . . . . A 26 SER HB2 . 34446 1 293 . 1 . 1 26 26 SER HB3 H 1 4.435 0.006 . . . . . . A 26 SER HB3 . 34446 1 294 . 1 . 1 26 26 SER C C 13 174.129 0.000 . . . . . . A 26 SER C . 34446 1 295 . 1 . 1 26 26 SER CA C 13 56.609 0.061 . . . . . . A 26 SER CA . 34446 1 296 . 1 . 1 26 26 SER CB C 13 65.717 0.026 . . . . . . A 26 SER CB . 34446 1 297 . 1 . 1 26 26 SER N N 15 116.088 0.112 . . . . . . A 26 SER N . 34446 1 298 . 1 . 1 27 27 LYS H H 1 9.296 0.003 . . . . . . A 27 LYS H . 34446 1 299 . 1 . 1 27 27 LYS HA H 1 3.870 0.003 . . . . . . A 27 LYS HA . 34446 1 300 . 1 . 1 27 27 LYS HB2 H 1 1.852 0.005 . . . . . . A 27 LYS HB2 . 34446 1 301 . 1 . 1 27 27 LYS HB3 H 1 1.912 0.007 . . . . . . A 27 LYS HB3 . 34446 1 302 . 1 . 1 27 27 LYS HG2 H 1 1.257 0.009 . . . . . . A 27 LYS HG2 . 34446 1 303 . 1 . 1 27 27 LYS HG3 H 1 1.394 0.004 . . . . . . A 27 LYS HG3 . 34446 1 304 . 1 . 1 27 27 LYS HD2 H 1 1.724 0.001 . . . . . . A 27 LYS HD2 . 34446 1 305 . 1 . 1 27 27 LYS HD3 H 1 1.765 0.006 . . . . . . A 27 LYS HD3 . 34446 1 306 . 1 . 1 27 27 LYS HE2 H 1 3.052 0.006 . . . . . . A 27 LYS HE2 . 34446 1 307 . 1 . 1 27 27 LYS HE3 H 1 3.052 0.006 . . . . . . A 27 LYS HE3 . 34446 1 308 . 1 . 1 27 27 LYS C C 13 176.879 0.000 . . . . . . A 27 LYS C . 34446 1 309 . 1 . 1 27 27 LYS CA C 13 61.485 0.083 . . . . . . A 27 LYS CA . 34446 1 310 . 1 . 1 27 27 LYS CB C 13 31.903 0.055 . . . . . . A 27 LYS CB . 34446 1 311 . 1 . 1 27 27 LYS CG C 13 25.950 0.031 . . . . . . A 27 LYS CG . 34446 1 312 . 1 . 1 27 27 LYS CD C 13 29.790 0.029 . . . . . . A 27 LYS CD . 34446 1 313 . 1 . 1 27 27 LYS CE C 13 42.412 0.039 . . . . . . A 27 LYS CE . 34446 1 314 . 1 . 1 27 27 LYS N N 15 121.289 0.022 . . . . . . A 27 LYS N . 34446 1 315 . 1 . 1 28 28 ASN H H 1 8.730 0.005 . . . . . . A 28 ASN H . 34446 1 316 . 1 . 1 28 28 ASN HA H 1 4.493 0.005 . . . . . . A 28 ASN HA . 34446 1 317 . 1 . 1 28 28 ASN HB2 H 1 2.734 0.002 . . . . . . A 28 ASN HB2 . 34446 1 318 . 1 . 1 28 28 ASN HB3 H 1 2.734 0.002 . . . . . . A 28 ASN HB3 . 34446 1 319 . 1 . 1 28 28 ASN HD21 H 1 7.700 0.001 . . . . . . A 28 ASN HD21 . 34446 1 320 . 1 . 1 28 28 ASN HD22 H 1 6.982 0.002 . . . . . . A 28 ASN HD22 . 34446 1 321 . 1 . 1 28 28 ASN C C 13 177.750 0.000 . . . . . . A 28 ASN C . 34446 1 322 . 1 . 1 28 28 ASN CA C 13 56.794 0.041 . . . . . . A 28 ASN CA . 34446 1 323 . 1 . 1 28 28 ASN CB C 13 37.865 0.020 . . . . . . A 28 ASN CB . 34446 1 324 . 1 . 1 28 28 ASN N N 15 116.550 0.015 . . . . . . A 28 ASN N . 34446 1 325 . 1 . 1 28 28 ASN ND2 N 15 112.371 0.008 . . . . . . A 28 ASN ND2 . 34446 1 326 . 1 . 1 29 29 GLN H H 1 7.950 0.002 . . . . . . A 29 GLN H . 34446 1 327 . 1 . 1 29 29 GLN HA H 1 4.111 0.006 . . . . . . A 29 GLN HA . 34446 1 328 . 1 . 1 29 29 GLN HB2 H 1 2.509 0.010 . . . . . . A 29 GLN HB2 . 34446 1 329 . 1 . 1 29 29 GLN HB3 H 1 1.963 0.000 . . . . . . A 29 GLN HB3 . 34446 1 330 . 1 . 1 29 29 GLN HG2 H 1 2.461 0.004 . . . . . . A 29 GLN HG2 . 34446 1 331 . 1 . 1 29 29 GLN HG3 H 1 2.461 0.004 . . . . . . A 29 GLN HG3 . 34446 1 332 . 1 . 1 29 29 GLN HE21 H 1 7.639 0.004 . . . . . . A 29 GLN HE21 . 34446 1 333 . 1 . 1 29 29 GLN HE22 H 1 6.895 0.003 . . . . . . A 29 GLN HE22 . 34446 1 334 . 1 . 1 29 29 GLN C C 13 178.673 0.000 . . . . . . A 29 GLN C . 34446 1 335 . 1 . 1 29 29 GLN CA C 13 58.811 0.065 . . . . . . A 29 GLN CA . 34446 1 336 . 1 . 1 29 29 GLN CB C 13 29.844 0.025 . . . . . . A 29 GLN CB . 34446 1 337 . 1 . 1 29 29 GLN CG C 13 34.911 0.025 . . . . . . A 29 GLN CG . 34446 1 338 . 1 . 1 29 29 GLN N N 15 120.485 0.026 . . . . . . A 29 GLN N . 34446 1 339 . 1 . 1 29 29 GLN NE2 N 15 112.443 0.021 . . . . . . A 29 GLN NE2 . 34446 1 340 . 1 . 1 30 30 LEU H H 1 8.801 0.005 . . . . . . A 30 LEU H . 34446 1 341 . 1 . 1 30 30 LEU HA H 1 4.024 0.006 . . . . . . A 30 LEU HA . 34446 1 342 . 1 . 1 30 30 LEU HB2 H 1 1.329 0.006 . . . . . . A 30 LEU HB2 . 34446 1 343 . 1 . 1 30 30 LEU HB3 H 1 2.136 0.007 . . . . . . A 30 LEU HB3 . 34446 1 344 . 1 . 1 30 30 LEU HG H 1 1.737 0.010 . . . . . . A 30 LEU HG . 34446 1 345 . 1 . 1 30 30 LEU HD11 H 1 0.890 0.007 . . . . . . A 30 LEU HD11 . 34446 1 346 . 1 . 1 30 30 LEU HD12 H 1 0.890 0.007 . . . . . . A 30 LEU HD12 . 34446 1 347 . 1 . 1 30 30 LEU HD13 H 1 0.890 0.007 . . . . . . A 30 LEU HD13 . 34446 1 348 . 1 . 1 30 30 LEU HD21 H 1 0.867 0.009 . . . . . . A 30 LEU HD21 . 34446 1 349 . 1 . 1 30 30 LEU HD22 H 1 0.867 0.009 . . . . . . A 30 LEU HD22 . 34446 1 350 . 1 . 1 30 30 LEU HD23 H 1 0.867 0.009 . . . . . . A 30 LEU HD23 . 34446 1 351 . 1 . 1 30 30 LEU C C 13 177.417 0.000 . . . . . . A 30 LEU C . 34446 1 352 . 1 . 1 30 30 LEU CA C 13 58.292 0.049 . . . . . . A 30 LEU CA . 34446 1 353 . 1 . 1 30 30 LEU CB C 13 43.396 0.061 . . . . . . A 30 LEU CB . 34446 1 354 . 1 . 1 30 30 LEU CG C 13 27.435 0.052 . . . . . . A 30 LEU CG . 34446 1 355 . 1 . 1 30 30 LEU CD1 C 13 25.283 0.091 . . . . . . A 30 LEU CD1 . 34446 1 356 . 1 . 1 30 30 LEU CD2 C 13 26.733 0.038 . . . . . . A 30 LEU CD2 . 34446 1 357 . 1 . 1 30 30 LEU N N 15 123.353 0.016 . . . . . . A 30 LEU N . 34446 1 358 . 1 . 1 31 31 MET H H 1 8.546 0.003 . . . . . . A 31 MET H . 34446 1 359 . 1 . 1 31 31 MET HA H 1 3.900 0.005 . . . . . . A 31 MET HA . 34446 1 360 . 1 . 1 31 31 MET HB2 H 1 1.987 0.007 . . . . . . A 31 MET HB2 . 34446 1 361 . 1 . 1 31 31 MET HB3 H 1 2.284 0.012 . . . . . . A 31 MET HB3 . 34446 1 362 . 1 . 1 31 31 MET HG2 H 1 2.213 0.014 . . . . . . A 31 MET HG2 . 34446 1 363 . 1 . 1 31 31 MET HG3 H 1 2.795 0.006 . . . . . . A 31 MET HG3 . 34446 1 364 . 1 . 1 31 31 MET HE1 H 1 2.051 0.006 . . . . . . A 31 MET HE1 . 34446 1 365 . 1 . 1 31 31 MET HE2 H 1 2.051 0.006 . . . . . . A 31 MET HE2 . 34446 1 366 . 1 . 1 31 31 MET HE3 H 1 2.051 0.006 . . . . . . A 31 MET HE3 . 34446 1 367 . 1 . 1 31 31 MET C C 13 175.662 0.000 . . . . . . A 31 MET C . 34446 1 368 . 1 . 1 31 31 MET CA C 13 60.287 0.060 . . . . . . A 31 MET CA . 34446 1 369 . 1 . 1 31 31 MET CB C 13 33.669 0.052 . . . . . . A 31 MET CB . 34446 1 370 . 1 . 1 31 31 MET CG C 13 32.204 0.050 . . . . . . A 31 MET CG . 34446 1 371 . 1 . 1 31 31 MET CE C 13 16.310 0.009 . . . . . . A 31 MET CE . 34446 1 372 . 1 . 1 31 31 MET N N 15 118.738 0.008 . . . . . . A 31 MET N . 34446 1 373 . 1 . 1 32 32 ALA H H 1 7.490 0.003 . . . . . . A 32 ALA H . 34446 1 374 . 1 . 1 32 32 ALA HA H 1 4.046 0.005 . . . . . . A 32 ALA HA . 34446 1 375 . 1 . 1 32 32 ALA HB1 H 1 1.506 0.006 . . . . . . A 32 ALA HB1 . 34446 1 376 . 1 . 1 32 32 ALA HB2 H 1 1.506 0.006 . . . . . . A 32 ALA HB2 . 34446 1 377 . 1 . 1 32 32 ALA HB3 H 1 1.506 0.006 . . . . . . A 32 ALA HB3 . 34446 1 378 . 1 . 1 32 32 ALA C C 13 179.173 0.000 . . . . . . A 32 ALA C . 34446 1 379 . 1 . 1 32 32 ALA CA C 13 55.071 0.068 . . . . . . A 32 ALA CA . 34446 1 380 . 1 . 1 32 32 ALA CB C 13 17.954 0.063 . . . . . . A 32 ALA CB . 34446 1 381 . 1 . 1 32 32 ALA N N 15 119.081 0.016 . . . . . . A 32 ALA N . 34446 1 382 . 1 . 1 33 33 LEU H H 1 7.956 0.045 . . . . . . A 33 LEU H . 34446 1 383 . 1 . 1 33 33 LEU HA H 1 4.242 0.002 . . . . . . A 33 LEU HA . 34446 1 384 . 1 . 1 33 33 LEU HB2 H 1 1.609 0.005 . . . . . . A 33 LEU HB2 . 34446 1 385 . 1 . 1 33 33 LEU HB3 H 1 1.972 0.007 . . . . . . A 33 LEU HB3 . 34446 1 386 . 1 . 1 33 33 LEU HG H 1 1.611 0.003 . . . . . . A 33 LEU HG . 34446 1 387 . 1 . 1 33 33 LEU HD11 H 1 0.976 0.007 . . . . . . A 33 LEU HD11 . 34446 1 388 . 1 . 1 33 33 LEU HD12 H 1 0.976 0.007 . . . . . . A 33 LEU HD12 . 34446 1 389 . 1 . 1 33 33 LEU HD13 H 1 0.976 0.007 . . . . . . A 33 LEU HD13 . 34446 1 390 . 1 . 1 33 33 LEU HD21 H 1 0.892 0.011 . . . . . . A 33 LEU HD21 . 34446 1 391 . 1 . 1 33 33 LEU HD22 H 1 0.892 0.011 . . . . . . A 33 LEU HD22 . 34446 1 392 . 1 . 1 33 33 LEU HD23 H 1 0.892 0.011 . . . . . . A 33 LEU HD23 . 34446 1 393 . 1 . 1 33 33 LEU C C 13 176.742 0.000 . . . . . . A 33 LEU C . 34446 1 394 . 1 . 1 33 33 LEU CA C 13 57.982 0.055 . . . . . . A 33 LEU CA . 34446 1 395 . 1 . 1 33 33 LEU CB C 13 42.364 0.102 . . . . . . A 33 LEU CB . 34446 1 396 . 1 . 1 33 33 LEU CG C 13 27.205 0.139 . . . . . . A 33 LEU CG . 34446 1 397 . 1 . 1 33 33 LEU CD1 C 13 23.459 0.019 . . . . . . A 33 LEU CD1 . 34446 1 398 . 1 . 1 33 33 LEU CD2 C 13 26.656 0.030 . . . . . . A 33 LEU CD2 . 34446 1 399 . 1 . 1 33 33 LEU N N 15 121.097 0.018 . . . . . . A 33 LEU N . 34446 1 400 . 1 . 1 34 34 ALA H H 1 8.594 0.005 . . . . . . A 34 ALA H . 34446 1 401 . 1 . 1 34 34 ALA HA H 1 4.007 0.007 . . . . . . A 34 ALA HA . 34446 1 402 . 1 . 1 34 34 ALA HB1 H 1 1.525 0.007 . . . . . . A 34 ALA HB1 . 34446 1 403 . 1 . 1 34 34 ALA HB2 H 1 1.525 0.007 . . . . . . A 34 ALA HB2 . 34446 1 404 . 1 . 1 34 34 ALA HB3 H 1 1.525 0.007 . . . . . . A 34 ALA HB3 . 34446 1 405 . 1 . 1 34 34 ALA C C 13 177.746 0.000 . . . . . . A 34 ALA C . 34446 1 406 . 1 . 1 34 34 ALA CA C 13 55.870 0.096 . . . . . . A 34 ALA CA . 34446 1 407 . 1 . 1 34 34 ALA CB C 13 17.697 0.084 . . . . . . A 34 ALA CB . 34446 1 408 . 1 . 1 34 34 ALA N N 15 121.410 0.017 . . . . . . A 34 ALA N . 34446 1 409 . 1 . 1 35 35 LEU H H 1 8.204 0.006 . . . . . . A 35 LEU H . 34446 1 410 . 1 . 1 35 35 LEU HA H 1 4.240 0.008 . . . . . . A 35 LEU HA . 34446 1 411 . 1 . 1 35 35 LEU HB2 H 1 1.710 0.006 . . . . . . A 35 LEU HB2 . 34446 1 412 . 1 . 1 35 35 LEU HB3 H 1 1.997 0.008 . . . . . . A 35 LEU HB3 . 34446 1 413 . 1 . 1 35 35 LEU HG H 1 1.751 0.013 . . . . . . A 35 LEU HG . 34446 1 414 . 1 . 1 35 35 LEU HD11 H 1 0.973 0.006 . . . . . . A 35 LEU HD11 . 34446 1 415 . 1 . 1 35 35 LEU HD12 H 1 0.973 0.006 . . . . . . A 35 LEU HD12 . 34446 1 416 . 1 . 1 35 35 LEU HD13 H 1 0.973 0.006 . . . . . . A 35 LEU HD13 . 34446 1 417 . 1 . 1 35 35 LEU HD21 H 1 0.991 0.007 . . . . . . A 35 LEU HD21 . 34446 1 418 . 1 . 1 35 35 LEU HD22 H 1 0.991 0.007 . . . . . . A 35 LEU HD22 . 34446 1 419 . 1 . 1 35 35 LEU HD23 H 1 0.991 0.007 . . . . . . A 35 LEU HD23 . 34446 1 420 . 1 . 1 35 35 LEU C C 13 177.073 0.000 . . . . . . A 35 LEU C . 34446 1 421 . 1 . 1 35 35 LEU CA C 13 58.876 0.090 . . . . . . A 35 LEU CA . 34446 1 422 . 1 . 1 35 35 LEU CB C 13 42.061 0.064 . . . . . . A 35 LEU CB . 34446 1 423 . 1 . 1 35 35 LEU CG C 13 27.062 0.105 . . . . . . A 35 LEU CG . 34446 1 424 . 1 . 1 35 35 LEU CD1 C 13 25.860 0.026 . . . . . . A 35 LEU CD1 . 34446 1 425 . 1 . 1 35 35 LEU CD2 C 13 25.303 0.028 . . . . . . A 35 LEU CD2 . 34446 1 426 . 1 . 1 35 35 LEU N N 15 116.943 0.015 . . . . . . A 35 LEU N . 34446 1 427 . 1 . 1 36 36 LYS H H 1 7.850 0.006 . . . . . . A 36 LYS H . 34446 1 428 . 1 . 1 36 36 LYS HA H 1 4.156 0.023 . . . . . . A 36 LYS HA . 34446 1 429 . 1 . 1 36 36 LYS HB2 H 1 2.009 0.004 . . . . . . A 36 LYS HB2 . 34446 1 430 . 1 . 1 36 36 LYS HB3 H 1 2.121 0.010 . . . . . . A 36 LYS HB3 . 34446 1 431 . 1 . 1 36 36 LYS HG2 H 1 1.399 0.003 . . . . . . A 36 LYS HG2 . 34446 1 432 . 1 . 1 36 36 LYS HG3 H 1 1.575 0.004 . . . . . . A 36 LYS HG3 . 34446 1 433 . 1 . 1 36 36 LYS HD2 H 1 1.714 0.008 . . . . . . A 36 LYS HD2 . 34446 1 434 . 1 . 1 36 36 LYS HD3 H 1 1.714 0.008 . . . . . . A 36 LYS HD3 . 34446 1 435 . 1 . 1 36 36 LYS HE2 H 1 2.970 0.009 . . . . . . A 36 LYS HE2 . 34446 1 436 . 1 . 1 36 36 LYS HE3 H 1 2.970 0.009 . . . . . . A 36 LYS HE3 . 34446 1 437 . 1 . 1 36 36 LYS C C 13 178.397 0.000 . . . . . . A 36 LYS C . 34446 1 438 . 1 . 1 36 36 LYS CA C 13 59.589 0.060 . . . . . . A 36 LYS CA . 34446 1 439 . 1 . 1 36 36 LYS CB C 13 32.362 0.030 . . . . . . A 36 LYS CB . 34446 1 440 . 1 . 1 36 36 LYS CG C 13 24.870 0.048 . . . . . . A 36 LYS CG . 34446 1 441 . 1 . 1 36 36 LYS CD C 13 29.491 0.063 . . . . . . A 36 LYS CD . 34446 1 442 . 1 . 1 36 36 LYS CE C 13 42.134 0.030 . . . . . . A 36 LYS CE . 34446 1 443 . 1 . 1 36 36 LYS N N 15 119.793 0.015 . . . . . . A 36 LYS N . 34446 1 444 . 1 . 1 37 37 LEU H H 1 8.635 0.005 . . . . . . A 37 LEU H . 34446 1 445 . 1 . 1 37 37 LEU HA H 1 4.111 0.011 . . . . . . A 37 LEU HA . 34446 1 446 . 1 . 1 37 37 LEU HB2 H 1 1.307 0.010 . . . . . . A 37 LEU HB2 . 34446 1 447 . 1 . 1 37 37 LEU HB3 H 1 2.088 0.005 . . . . . . A 37 LEU HB3 . 34446 1 448 . 1 . 1 37 37 LEU HG H 1 1.933 0.009 . . . . . . A 37 LEU HG . 34446 1 449 . 1 . 1 37 37 LEU HD11 H 1 0.856 0.005 . . . . . . A 37 LEU HD11 . 34446 1 450 . 1 . 1 37 37 LEU HD12 H 1 0.856 0.005 . . . . . . A 37 LEU HD12 . 34446 1 451 . 1 . 1 37 37 LEU HD13 H 1 0.856 0.005 . . . . . . A 37 LEU HD13 . 34446 1 452 . 1 . 1 37 37 LEU HD21 H 1 1.027 0.006 . . . . . . A 37 LEU HD21 . 34446 1 453 . 1 . 1 37 37 LEU HD22 H 1 1.027 0.006 . . . . . . A 37 LEU HD22 . 34446 1 454 . 1 . 1 37 37 LEU HD23 H 1 1.027 0.006 . . . . . . A 37 LEU HD23 . 34446 1 455 . 1 . 1 37 37 LEU C C 13 178.849 0.000 . . . . . . A 37 LEU C . 34446 1 456 . 1 . 1 37 37 LEU CA C 13 57.863 0.057 . . . . . . A 37 LEU CA . 34446 1 457 . 1 . 1 37 37 LEU CB C 13 43.446 0.067 . . . . . . A 37 LEU CB . 34446 1 458 . 1 . 1 37 37 LEU CG C 13 27.017 0.019 . . . . . . A 37 LEU CG . 34446 1 459 . 1 . 1 37 37 LEU CD1 C 13 23.050 0.024 . . . . . . A 37 LEU CD1 . 34446 1 460 . 1 . 1 37 37 LEU CD2 C 13 26.987 0.043 . . . . . . A 37 LEU CD2 . 34446 1 461 . 1 . 1 37 37 LEU N N 15 119.409 0.008 . . . . . . A 37 LEU N . 34446 1 462 . 1 . 1 38 38 LYS H H 1 8.825 0.008 . . . . . . A 38 LYS H . 34446 1 463 . 1 . 1 38 38 LYS HA H 1 4.006 0.010 . . . . . . A 38 LYS HA . 34446 1 464 . 1 . 1 38 38 LYS HB2 H 1 1.938 0.009 . . . . . . A 38 LYS HB2 . 34446 1 465 . 1 . 1 38 38 LYS HB3 H 1 2.043 0.011 . . . . . . A 38 LYS HB3 . 34446 1 466 . 1 . 1 38 38 LYS HG2 H 1 0.653 0.006 . . . . . . A 38 LYS HG2 . 34446 1 467 . 1 . 1 38 38 LYS HG3 H 1 0.839 0.011 . . . . . . A 38 LYS HG3 . 34446 1 468 . 1 . 1 38 38 LYS HD2 H 1 1.369 0.007 . . . . . . A 38 LYS HD2 . 34446 1 469 . 1 . 1 38 38 LYS HD3 H 1 1.607 0.006 . . . . . . A 38 LYS HD3 . 34446 1 470 . 1 . 1 38 38 LYS HE2 H 1 2.428 0.009 . . . . . . A 38 LYS HE2 . 34446 1 471 . 1 . 1 38 38 LYS HE3 H 1 2.653 0.006 . . . . . . A 38 LYS HE3 . 34446 1 472 . 1 . 1 38 38 LYS C C 13 177.053 0.000 . . . . . . A 38 LYS C . 34446 1 473 . 1 . 1 38 38 LYS CA C 13 57.966 0.058 . . . . . . A 38 LYS CA . 34446 1 474 . 1 . 1 38 38 LYS CB C 13 31.558 0.049 . . . . . . A 38 LYS CB . 34446 1 475 . 1 . 1 38 38 LYS CG C 13 24.293 0.047 . . . . . . A 38 LYS CG . 34446 1 476 . 1 . 1 38 38 LYS CD C 13 28.146 0.039 . . . . . . A 38 LYS CD . 34446 1 477 . 1 . 1 38 38 LYS CE C 13 42.299 0.027 . . . . . . A 38 LYS CE . 34446 1 478 . 1 . 1 38 38 LYS N N 15 122.138 0.027 . . . . . . A 38 LYS N . 34446 1 479 . 1 . 1 39 39 GLN H H 1 8.751 0.008 . . . . . . A 39 GLN H . 34446 1 480 . 1 . 1 39 39 GLN HA H 1 3.839 0.005 . . . . . . A 39 GLN HA . 34446 1 481 . 1 . 1 39 39 GLN HB2 H 1 2.286 0.005 . . . . . . A 39 GLN HB2 . 34446 1 482 . 1 . 1 39 39 GLN HB3 H 1 2.433 0.006 . . . . . . A 39 GLN HB3 . 34446 1 483 . 1 . 1 39 39 GLN HG2 H 1 2.428 0.006 . . . . . . A 39 GLN HG2 . 34446 1 484 . 1 . 1 39 39 GLN HG3 H 1 2.564 0.008 . . . . . . A 39 GLN HG3 . 34446 1 485 . 1 . 1 39 39 GLN HE21 H 1 7.639 0.004 . . . . . . A 39 GLN HE21 . 34446 1 486 . 1 . 1 39 39 GLN HE22 H 1 6.901 0.002 . . . . . . A 39 GLN HE22 . 34446 1 487 . 1 . 1 39 39 GLN C C 13 176.983 0.000 . . . . . . A 39 GLN C . 34446 1 488 . 1 . 1 39 39 GLN CA C 13 59.505 0.072 . . . . . . A 39 GLN CA . 34446 1 489 . 1 . 1 39 39 GLN CB C 13 28.537 0.018 . . . . . . A 39 GLN CB . 34446 1 490 . 1 . 1 39 39 GLN CG C 13 34.306 0.026 . . . . . . A 39 GLN CG . 34446 1 491 . 1 . 1 39 39 GLN N N 15 118.950 0.018 . . . . . . A 39 GLN N . 34446 1 492 . 1 . 1 39 39 GLN NE2 N 15 111.487 0.018 . . . . . . A 39 GLN NE2 . 34446 1 493 . 1 . 1 40 40 GLN H H 1 7.943 0.010 . . . . . . A 40 GLN H . 34446 1 494 . 1 . 1 40 40 GLN HA H 1 4.084 0.008 . . . . . . A 40 GLN HA . 34446 1 495 . 1 . 1 40 40 GLN HB2 H 1 2.104 0.005 . . . . . . A 40 GLN HB2 . 34446 1 496 . 1 . 1 40 40 GLN HB3 H 1 2.203 0.005 . . . . . . A 40 GLN HB3 . 34446 1 497 . 1 . 1 40 40 GLN HG2 H 1 2.397 0.010 . . . . . . A 40 GLN HG2 . 34446 1 498 . 1 . 1 40 40 GLN HG3 H 1 2.614 0.005 . . . . . . A 40 GLN HG3 . 34446 1 499 . 1 . 1 40 40 GLN HE21 H 1 7.460 0.002 . . . . . . A 40 GLN HE21 . 34446 1 500 . 1 . 1 40 40 GLN HE22 H 1 6.767 0.009 . . . . . . A 40 GLN HE22 . 34446 1 501 . 1 . 1 40 40 GLN C C 13 176.849 0.000 . . . . . . A 40 GLN C . 34446 1 502 . 1 . 1 40 40 GLN CA C 13 58.636 0.083 . . . . . . A 40 GLN CA . 34446 1 503 . 1 . 1 40 40 GLN CB C 13 28.467 0.020 . . . . . . A 40 GLN CB . 34446 1 504 . 1 . 1 40 40 GLN CG C 13 34.389 0.037 . . . . . . A 40 GLN CG . 34446 1 505 . 1 . 1 40 40 GLN N N 15 117.331 0.015 . . . . . . A 40 GLN N . 34446 1 506 . 1 . 1 40 40 GLN NE2 N 15 110.581 0.013 . . . . . . A 40 GLN NE2 . 34446 1 507 . 1 . 1 41 41 GLN H H 1 7.733 0.007 . . . . . . A 41 GLN H . 34446 1 508 . 1 . 1 41 41 GLN HA H 1 4.077 0.004 . . . . . . A 41 GLN HA . 34446 1 509 . 1 . 1 41 41 GLN HB2 H 1 2.113 0.002 . . . . . . A 41 GLN HB2 . 34446 1 510 . 1 . 1 41 41 GLN HB3 H 1 2.241 0.004 . . . . . . A 41 GLN HB3 . 34446 1 511 . 1 . 1 41 41 GLN HG2 H 1 2.220 0.007 . . . . . . A 41 GLN HG2 . 34446 1 512 . 1 . 1 41 41 GLN HG3 H 1 2.502 0.004 . . . . . . A 41 GLN HG3 . 34446 1 513 . 1 . 1 41 41 GLN HE21 H 1 7.563 0.004 . . . . . . A 41 GLN HE21 . 34446 1 514 . 1 . 1 41 41 GLN HE22 H 1 6.799 0.002 . . . . . . A 41 GLN HE22 . 34446 1 515 . 1 . 1 41 41 GLN C C 13 176.928 0.000 . . . . . . A 41 GLN C . 34446 1 516 . 1 . 1 41 41 GLN CA C 13 58.268 0.062 . . . . . . A 41 GLN CA . 34446 1 517 . 1 . 1 41 41 GLN CB C 13 28.823 0.055 . . . . . . A 41 GLN CB . 34446 1 518 . 1 . 1 41 41 GLN CG C 13 34.003 0.028 . . . . . . A 41 GLN CG . 34446 1 519 . 1 . 1 41 41 GLN N N 15 119.268 0.011 . . . . . . A 41 GLN N . 34446 1 520 . 1 . 1 41 41 GLN NE2 N 15 111.604 0.016 . . . . . . A 41 GLN NE2 . 34446 1 521 . 1 . 1 42 42 LEU H H 1 7.890 0.008 . . . . . . A 42 LEU H . 34446 1 522 . 1 . 1 42 42 LEU HA H 1 4.045 0.003 . . . . . . A 42 LEU HA . 34446 1 523 . 1 . 1 42 42 LEU HB2 H 1 1.316 0.007 . . . . . . A 42 LEU HB2 . 34446 1 524 . 1 . 1 42 42 LEU HB3 H 1 1.562 0.007 . . . . . . A 42 LEU HB3 . 34446 1 525 . 1 . 1 42 42 LEU HG H 1 1.428 0.008 . . . . . . A 42 LEU HG . 34446 1 526 . 1 . 1 42 42 LEU HD11 H 1 0.498 0.003 . . . . . . A 42 LEU HD11 . 34446 1 527 . 1 . 1 42 42 LEU HD12 H 1 0.498 0.003 . . . . . . A 42 LEU HD12 . 34446 1 528 . 1 . 1 42 42 LEU HD13 H 1 0.498 0.003 . . . . . . A 42 LEU HD13 . 34446 1 529 . 1 . 1 42 42 LEU HD21 H 1 0.063 0.003 . . . . . . A 42 LEU HD21 . 34446 1 530 . 1 . 1 42 42 LEU HD22 H 1 0.063 0.003 . . . . . . A 42 LEU HD22 . 34446 1 531 . 1 . 1 42 42 LEU HD23 H 1 0.063 0.003 . . . . . . A 42 LEU HD23 . 34446 1 532 . 1 . 1 42 42 LEU C C 13 177.349 0.000 . . . . . . A 42 LEU C . 34446 1 533 . 1 . 1 42 42 LEU CA C 13 56.398 0.052 . . . . . . A 42 LEU CA . 34446 1 534 . 1 . 1 42 42 LEU CB C 13 42.133 0.033 . . . . . . A 42 LEU CB . 34446 1 535 . 1 . 1 42 42 LEU CG C 13 26.380 0.047 . . . . . . A 42 LEU CG . 34446 1 536 . 1 . 1 42 42 LEU CD1 C 13 22.660 0.065 . . . . . . A 42 LEU CD1 . 34446 1 537 . 1 . 1 42 42 LEU CD2 C 13 24.525 0.047 . . . . . . A 42 LEU CD2 . 34446 1 538 . 1 . 1 42 42 LEU N N 15 119.599 0.019 . . . . . . A 42 LEU N . 34446 1 539 . 1 . 1 43 43 GLU H H 1 7.919 0.005 . . . . . . A 43 GLU H . 34446 1 540 . 1 . 1 43 43 GLU HA H 1 4.175 0.008 . . . . . . A 43 GLU HA . 34446 1 541 . 1 . 1 43 43 GLU HB2 H 1 2.033 0.003 . . . . . . A 43 GLU HB2 . 34446 1 542 . 1 . 1 43 43 GLU HB3 H 1 2.070 0.005 . . . . . . A 43 GLU HB3 . 34446 1 543 . 1 . 1 43 43 GLU HG2 H 1 2.257 0.003 . . . . . . A 43 GLU HG2 . 34446 1 544 . 1 . 1 43 43 GLU HG3 H 1 2.413 0.003 . . . . . . A 43 GLU HG3 . 34446 1 545 . 1 . 1 43 43 GLU C C 13 175.535 0.000 . . . . . . A 43 GLU C . 34446 1 546 . 1 . 1 43 43 GLU CA C 13 57.176 0.066 . . . . . . A 43 GLU CA . 34446 1 547 . 1 . 1 43 43 GLU CB C 13 29.921 0.024 . . . . . . A 43 GLU CB . 34446 1 548 . 1 . 1 43 43 GLU CG C 13 36.595 0.028 . . . . . . A 43 GLU CG . 34446 1 549 . 1 . 1 43 43 GLU N N 15 118.654 0.005 . . . . . . A 43 GLU N . 34446 1 550 . 1 . 1 44 44 GLN H H 1 7.855 0.009 . . . . . . A 44 GLN H . 34446 1 551 . 1 . 1 44 44 GLN HA H 1 4.303 0.003 . . . . . . A 44 GLN HA . 34446 1 552 . 1 . 1 44 44 GLN HB2 H 1 2.042 0.003 . . . . . . A 44 GLN HB2 . 34446 1 553 . 1 . 1 44 44 GLN HB3 H 1 2.180 0.006 . . . . . . A 44 GLN HB3 . 34446 1 554 . 1 . 1 44 44 GLN HG2 H 1 2.415 0.002 . . . . . . A 44 GLN HG2 . 34446 1 555 . 1 . 1 44 44 GLN HG3 H 1 2.415 0.002 . . . . . . A 44 GLN HG3 . 34446 1 556 . 1 . 1 44 44 GLN HE21 H 1 7.550 0.001 . . . . . . A 44 GLN HE21 . 34446 1 557 . 1 . 1 44 44 GLN HE22 H 1 6.840 0.000 . . . . . . A 44 GLN HE22 . 34446 1 558 . 1 . 1 44 44 GLN C C 13 174.476 0.000 . . . . . . A 44 GLN C . 34446 1 559 . 1 . 1 44 44 GLN CA C 13 56.170 0.046 . . . . . . A 44 GLN CA . 34446 1 560 . 1 . 1 44 44 GLN CB C 13 29.450 0.038 . . . . . . A 44 GLN CB . 34446 1 561 . 1 . 1 44 44 GLN CG C 13 33.961 0.028 . . . . . . A 44 GLN CG . 34446 1 562 . 1 . 1 44 44 GLN N N 15 119.378 0.062 . . . . . . A 44 GLN N . 34446 1 563 . 1 . 1 44 44 GLN NE2 N 15 112.330 0.002 . . . . . . A 44 GLN NE2 . 34446 1 564 . 1 . 1 45 45 GLY H H 1 7.893 0.001 . . . . . . A 45 GLY H . 34446 1 565 . 1 . 1 45 45 GLY HA2 H 1 3.746 0.002 . . . . . . A 45 GLY HA2 . 34446 1 566 . 1 . 1 45 45 GLY HA3 H 1 3.746 0.002 . . . . . . A 45 GLY HA3 . 34446 1 567 . 1 . 1 45 45 GLY CA C 13 46.341 0.095 . . . . . . A 45 GLY CA . 34446 1 568 . 1 . 1 45 45 GLY N N 15 115.415 0.010 . . . . . . A 45 GLY N . 34446 1 569 . 2 . 1 1 1 GLY HA2 H 1 3.983 0.001 . . . . . . B 101 GLY HA2 . 34446 1 570 . 2 . 1 1 1 GLY HA3 H 1 3.983 0.001 . . . . . . B 101 GLY HA3 . 34446 1 571 . 2 . 1 1 1 GLY CA C 13 43.429 0.027 . . . . . . B 101 GLY CA . 34446 1 572 . 2 . 1 2 2 PRO HA H 1 4.477 0.003 . . . . . . B 102 PRO HA . 34446 1 573 . 2 . 1 2 2 PRO HB2 H 1 1.995 0.008 . . . . . . B 102 PRO HB2 . 34446 1 574 . 2 . 1 2 2 PRO HB3 H 1 2.315 0.002 . . . . . . B 102 PRO HB3 . 34446 1 575 . 2 . 1 2 2 PRO HG2 H 1 2.034 0.004 . . . . . . B 102 PRO HG2 . 34446 1 576 . 2 . 1 2 2 PRO HG3 H 1 2.034 0.004 . . . . . . B 102 PRO HG3 . 34446 1 577 . 2 . 1 2 2 PRO HD2 H 1 3.576 0.006 . . . . . . B 102 PRO HD2 . 34446 1 578 . 2 . 1 2 2 PRO HD3 H 1 3.610 0.005 . . . . . . B 102 PRO HD3 . 34446 1 579 . 2 . 1 2 2 PRO C C 13 176.308 0.000 . . . . . . B 102 PRO C . 34446 1 580 . 2 . 1 2 2 PRO CA C 13 63.526 0.034 . . . . . . B 102 PRO CA . 34446 1 581 . 2 . 1 2 2 PRO CB C 13 32.210 0.024 . . . . . . B 102 PRO CB . 34446 1 582 . 2 . 1 2 2 PRO CG C 13 27.077 0.026 . . . . . . B 102 PRO CG . 34446 1 583 . 2 . 1 2 2 PRO CD C 13 49.737 0.231 . . . . . . B 102 PRO CD . 34446 1 584 . 2 . 1 3 3 GLY H H 1 8.684 0.001 . . . . . . B 103 GLY H . 34446 1 585 . 2 . 1 3 3 GLY HA2 H 1 3.987 0.003 . . . . . . B 103 GLY HA2 . 34446 1 586 . 2 . 1 3 3 GLY HA3 H 1 3.987 0.003 . . . . . . B 103 GLY HA3 . 34446 1 587 . 2 . 1 3 3 GLY C C 13 173.132 0.000 . . . . . . B 103 GLY C . 34446 1 588 . 2 . 1 3 3 GLY CA C 13 45.441 0.080 . . . . . . B 103 GLY CA . 34446 1 589 . 2 . 1 3 3 GLY N N 15 109.973 0.020 . . . . . . B 103 GLY N . 34446 1 590 . 2 . 1 4 4 SER H H 1 8.203 0.001 . . . . . . B 104 SER H . 34446 1 591 . 2 . 1 4 4 SER HA H 1 4.434 0.004 . . . . . . B 104 SER HA . 34446 1 592 . 2 . 1 4 4 SER HB2 H 1 3.877 0.005 . . . . . . B 104 SER HB2 . 34446 1 593 . 2 . 1 4 4 SER HB3 H 1 3.877 0.005 . . . . . . B 104 SER HB3 . 34446 1 594 . 2 . 1 4 4 SER C C 13 173.494 0.000 . . . . . . B 104 SER C . 34446 1 595 . 2 . 1 4 4 SER CA C 13 58.555 0.079 . . . . . . B 104 SER CA . 34446 1 596 . 2 . 1 4 4 SER CB C 13 63.816 0.019 . . . . . . B 104 SER CB . 34446 1 597 . 2 . 1 4 4 SER N N 15 115.630 0.013 . . . . . . B 104 SER N . 34446 1 598 . 2 . 1 5 5 MET H H 1 8.463 0.003 . . . . . . B 105 MET H . 34446 1 599 . 2 . 1 5 5 MET HA H 1 4.487 0.002 . . . . . . B 105 MET HA . 34446 1 600 . 2 . 1 5 5 MET HB2 H 1 2.006 0.003 . . . . . . B 105 MET HB2 . 34446 1 601 . 2 . 1 5 5 MET HB3 H 1 2.089 0.008 . . . . . . B 105 MET HB3 . 34446 1 602 . 2 . 1 5 5 MET HG2 H 1 2.527 0.010 . . . . . . B 105 MET HG2 . 34446 1 603 . 2 . 1 5 5 MET HG3 H 1 2.597 0.010 . . . . . . B 105 MET HG3 . 34446 1 604 . 2 . 1 5 5 MET HE1 H 1 2.086 0.000 . . . . . . B 105 MET HE1 . 34446 1 605 . 2 . 1 5 5 MET HE2 H 1 2.086 0.000 . . . . . . B 105 MET HE2 . 34446 1 606 . 2 . 1 5 5 MET HE3 H 1 2.086 0.000 . . . . . . B 105 MET HE3 . 34446 1 607 . 2 . 1 5 5 MET C C 13 174.671 0.000 . . . . . . B 105 MET C . 34446 1 608 . 2 . 1 5 5 MET CA C 13 55.648 0.090 . . . . . . B 105 MET CA . 34446 1 609 . 2 . 1 5 5 MET CB C 13 32.669 0.034 . . . . . . B 105 MET CB . 34446 1 610 . 2 . 1 5 5 MET CG C 13 31.995 0.015 . . . . . . B 105 MET CG . 34446 1 611 . 2 . 1 5 5 MET CE C 13 16.938 0.011 . . . . . . B 105 MET CE . 34446 1 612 . 2 . 1 5 5 MET N N 15 121.828 0.009 . . . . . . B 105 MET N . 34446 1 613 . 2 . 1 6 6 ASN H H 1 8.403 0.003 . . . . . . B 106 ASN H . 34446 1 614 . 2 . 1 6 6 ASN HA H 1 4.676 0.005 . . . . . . B 106 ASN HA . 34446 1 615 . 2 . 1 6 6 ASN HB2 H 1 2.713 0.010 . . . . . . B 106 ASN HB2 . 34446 1 616 . 2 . 1 6 6 ASN HB3 H 1 2.783 0.013 . . . . . . B 106 ASN HB3 . 34446 1 617 . 2 . 1 6 6 ASN HD21 H 1 7.615 0.001 . . . . . . B 106 ASN HD21 . 34446 1 618 . 2 . 1 6 6 ASN HD22 H 1 6.937 0.008 . . . . . . B 106 ASN HD22 . 34446 1 619 . 2 . 1 6 6 ASN C C 13 173.417 0.000 . . . . . . B 106 ASN C . 34446 1 620 . 2 . 1 6 6 ASN CA C 13 53.263 0.058 . . . . . . B 106 ASN CA . 34446 1 621 . 2 . 1 6 6 ASN CB C 13 38.931 0.042 . . . . . . B 106 ASN CB . 34446 1 622 . 2 . 1 6 6 ASN N N 15 119.748 0.009 . . . . . . B 106 ASN N . 34446 1 623 . 2 . 1 6 6 ASN ND2 N 15 113.171 0.007 . . . . . . B 106 ASN ND2 . 34446 1 624 . 2 . 1 7 7 LYS H H 1 8.239 0.002 . . . . . . B 107 LYS H . 34446 1 625 . 2 . 1 7 7 LYS HA H 1 4.604 0.002 . . . . . . B 107 LYS HA . 34446 1 626 . 2 . 1 7 7 LYS HB2 H 1 1.717 0.009 . . . . . . B 107 LYS HB2 . 34446 1 627 . 2 . 1 7 7 LYS HB3 H 1 1.811 0.006 . . . . . . B 107 LYS HB3 . 34446 1 628 . 2 . 1 7 7 LYS HG2 H 1 1.432 0.005 . . . . . . B 107 LYS HG2 . 34446 1 629 . 2 . 1 7 7 LYS HG3 H 1 1.456 0.003 . . . . . . B 107 LYS HG3 . 34446 1 630 . 2 . 1 7 7 LYS HD2 H 1 1.685 0.002 . . . . . . B 107 LYS HD2 . 34446 1 631 . 2 . 1 7 7 LYS HD3 H 1 1.685 0.002 . . . . . . B 107 LYS HD3 . 34446 1 632 . 2 . 1 7 7 LYS HE2 H 1 2.994 0.002 . . . . . . B 107 LYS HE2 . 34446 1 633 . 2 . 1 7 7 LYS HE3 H 1 2.994 0.002 . . . . . . B 107 LYS HE3 . 34446 1 634 . 2 . 1 7 7 LYS CA C 13 54.305 0.048 . . . . . . B 107 LYS CA . 34446 1 635 . 2 . 1 7 7 LYS CB C 13 32.641 0.037 . . . . . . B 107 LYS CB . 34446 1 636 . 2 . 1 7 7 LYS CG C 13 24.567 0.025 . . . . . . B 107 LYS CG . 34446 1 637 . 2 . 1 7 7 LYS CD C 13 29.258 0.035 . . . . . . B 107 LYS CD . 34446 1 638 . 2 . 1 7 7 LYS CE C 13 42.186 0.061 . . . . . . B 107 LYS CE . 34446 1 639 . 2 . 1 7 7 LYS N N 15 122.742 0.010 . . . . . . B 107 LYS N . 34446 1 640 . 2 . 1 8 8 PRO HA H 1 4.508 0.003 . . . . . . B 108 PRO HA . 34446 1 641 . 2 . 1 8 8 PRO HB2 H 1 1.926 0.007 . . . . . . B 108 PRO HB2 . 34446 1 642 . 2 . 1 8 8 PRO HB3 H 1 2.314 0.003 . . . . . . B 108 PRO HB3 . 34446 1 643 . 2 . 1 8 8 PRO HG2 H 1 2.028 0.067 . . . . . . B 108 PRO HG2 . 34446 1 644 . 2 . 1 8 8 PRO HG3 H 1 2.028 0.067 . . . . . . B 108 PRO HG3 . 34446 1 645 . 2 . 1 8 8 PRO HD2 H 1 3.644 0.004 . . . . . . B 108 PRO HD2 . 34446 1 646 . 2 . 1 8 8 PRO HD3 H 1 3.804 0.008 . . . . . . B 108 PRO HD3 . 34446 1 647 . 2 . 1 8 8 PRO C C 13 175.988 0.000 . . . . . . B 108 PRO C . 34446 1 648 . 2 . 1 8 8 PRO CA C 13 63.273 0.041 . . . . . . B 108 PRO CA . 34446 1 649 . 2 . 1 8 8 PRO CB C 13 32.188 0.022 . . . . . . B 108 PRO CB . 34446 1 650 . 2 . 1 8 8 PRO CG C 13 27.372 0.059 . . . . . . B 108 PRO CG . 34446 1 651 . 2 . 1 8 8 PRO CD C 13 50.698 0.023 . . . . . . B 108 PRO CD . 34446 1 652 . 2 . 1 9 9 THR H H 1 8.311 0.001 . . . . . . B 109 THR H . 34446 1 653 . 2 . 1 9 9 THR HA H 1 4.308 0.008 . . . . . . B 109 THR HA . 34446 1 654 . 2 . 1 9 9 THR HB H 1 4.231 0.004 . . . . . . B 109 THR HB . 34446 1 655 . 2 . 1 9 9 THR HG21 H 1 1.187 0.002 . . . . . . B 109 THR HG21 . 34446 1 656 . 2 . 1 9 9 THR HG22 H 1 1.187 0.002 . . . . . . B 109 THR HG22 . 34446 1 657 . 2 . 1 9 9 THR HG23 H 1 1.187 0.002 . . . . . . B 109 THR HG23 . 34446 1 658 . 2 . 1 9 9 THR C C 13 173.520 0.000 . . . . . . B 109 THR C . 34446 1 659 . 2 . 1 9 9 THR CA C 13 61.895 0.062 . . . . . . B 109 THR CA . 34446 1 660 . 2 . 1 9 9 THR CB C 13 69.910 0.105 . . . . . . B 109 THR CB . 34446 1 661 . 2 . 1 9 9 THR CG2 C 13 21.678 0.038 . . . . . . B 109 THR CG2 . 34446 1 662 . 2 . 1 9 9 THR N N 15 114.115 0.011 . . . . . . B 109 THR N . 34446 1 663 . 2 . 1 10 10 SER H H 1 8.341 0.004 . . . . . . B 110 SER H . 34446 1 664 . 2 . 1 10 10 SER HA H 1 4.514 0.005 . . . . . . B 110 SER HA . 34446 1 665 . 2 . 1 10 10 SER HB2 H 1 3.864 0.001 . . . . . . B 110 SER HB2 . 34446 1 666 . 2 . 1 10 10 SER HB3 H 1 3.919 0.030 . . . . . . B 110 SER HB3 . 34446 1 667 . 2 . 1 10 10 SER C C 13 173.685 0.000 . . . . . . B 110 SER C . 34446 1 668 . 2 . 1 10 10 SER CA C 13 58.324 0.070 . . . . . . B 110 SER CA . 34446 1 669 . 2 . 1 10 10 SER CB C 13 63.992 0.018 . . . . . . B 110 SER CB . 34446 1 670 . 2 . 1 10 10 SER N N 15 117.626 0.015 . . . . . . B 110 SER N . 34446 1 671 . 2 . 1 11 11 SER H H 1 8.516 0.008 . . . . . . B 111 SER H . 34446 1 672 . 2 . 1 11 11 SER HA H 1 4.542 0.002 . . . . . . B 111 SER HA . 34446 1 673 . 2 . 1 11 11 SER HB2 H 1 3.917 0.000 . . . . . . B 111 SER HB2 . 34446 1 674 . 2 . 1 11 11 SER HB3 H 1 3.982 0.010 . . . . . . B 111 SER HB3 . 34446 1 675 . 2 . 1 11 11 SER C C 13 173.448 0.000 . . . . . . B 111 SER C . 34446 1 676 . 2 . 1 11 11 SER CA C 13 58.722 0.050 . . . . . . B 111 SER CA . 34446 1 677 . 2 . 1 11 11 SER CB C 13 63.937 0.092 . . . . . . B 111 SER CB . 34446 1 678 . 2 . 1 11 11 SER N N 15 118.217 0.012 . . . . . . B 111 SER N . 34446 1 679 . 2 . 1 12 12 ASP H H 1 8.431 0.009 . . . . . . B 112 ASP H . 34446 1 680 . 2 . 1 12 12 ASP HA H 1 4.668 0.008 . . . . . . B 112 ASP HA . 34446 1 681 . 2 . 1 12 12 ASP HB2 H 1 2.639 0.008 . . . . . . B 112 ASP HB2 . 34446 1 682 . 2 . 1 12 12 ASP HB3 H 1 2.702 0.006 . . . . . . B 112 ASP HB3 . 34446 1 683 . 2 . 1 12 12 ASP C C 13 176.189 0.000 . . . . . . B 112 ASP C . 34446 1 684 . 2 . 1 12 12 ASP CA C 13 55.077 0.127 . . . . . . B 112 ASP CA . 34446 1 685 . 2 . 1 12 12 ASP CB C 13 41.044 0.043 . . . . . . B 112 ASP CB . 34446 1 686 . 2 . 1 12 12 ASP N N 15 121.834 0.018 . . . . . . B 112 ASP N . 34446 1 687 . 2 . 1 13 13 GLY H H 1 8.470 0.003 . . . . . . B 113 GLY H . 34446 1 688 . 2 . 1 13 13 GLY HA2 H 1 3.984 0.004 . . . . . . B 113 GLY HA2 . 34446 1 689 . 2 . 1 13 13 GLY HA3 H 1 3.984 0.004 . . . . . . B 113 GLY HA3 . 34446 1 690 . 2 . 1 13 13 GLY C C 13 173.984 0.000 . . . . . . B 113 GLY C . 34446 1 691 . 2 . 1 13 13 GLY CA C 13 46.770 0.072 . . . . . . B 113 GLY CA . 34446 1 692 . 2 . 1 13 13 GLY N N 15 109.592 0.011 . . . . . . B 113 GLY N . 34446 1 693 . 2 . 1 14 14 TRP H H 1 7.971 0.004 . . . . . . B 114 TRP H . 34446 1 694 . 2 . 1 14 14 TRP HA H 1 4.473 0.005 . . . . . . B 114 TRP HA . 34446 1 695 . 2 . 1 14 14 TRP HB2 H 1 3.260 0.006 . . . . . . B 114 TRP HB2 . 34446 1 696 . 2 . 1 14 14 TRP HB3 H 1 3.491 0.004 . . . . . . B 114 TRP HB3 . 34446 1 697 . 2 . 1 14 14 TRP HD1 H 1 7.463 0.011 . . . . . . B 114 TRP HD1 . 34446 1 698 . 2 . 1 14 14 TRP HE1 H 1 10.339 0.004 . . . . . . B 114 TRP HE1 . 34446 1 699 . 2 . 1 14 14 TRP HE3 H 1 7.288 0.011 . . . . . . B 114 TRP HE3 . 34446 1 700 . 2 . 1 14 14 TRP HZ2 H 1 7.116 0.003 . . . . . . B 114 TRP HZ2 . 34446 1 701 . 2 . 1 14 14 TRP HZ3 H 1 6.480 0.006 . . . . . . B 114 TRP HZ3 . 34446 1 702 . 2 . 1 14 14 TRP HH2 H 1 6.799 0.012 . . . . . . B 114 TRP HH2 . 34446 1 703 . 2 . 1 14 14 TRP C C 13 176.546 0.000 . . . . . . B 114 TRP C . 34446 1 704 . 2 . 1 14 14 TRP CA C 13 59.002 0.075 . . . . . . B 114 TRP CA . 34446 1 705 . 2 . 1 14 14 TRP CB C 13 28.547 0.059 . . . . . . B 114 TRP CB . 34446 1 706 . 2 . 1 14 14 TRP CD1 C 13 127.705 0.141 . . . . . . B 114 TRP CD1 . 34446 1 707 . 2 . 1 14 14 TRP CE3 C 13 120.994 0.165 . . . . . . B 114 TRP CE3 . 34446 1 708 . 2 . 1 14 14 TRP CZ2 C 13 114.302 0.064 . . . . . . B 114 TRP CZ2 . 34446 1 709 . 2 . 1 14 14 TRP CZ3 C 13 120.907 0.007 . . . . . . B 114 TRP CZ3 . 34446 1 710 . 2 . 1 14 14 TRP CH2 C 13 123.434 0.010 . . . . . . B 114 TRP CH2 . 34446 1 711 . 2 . 1 14 14 TRP N N 15 120.347 0.021 . . . . . . B 114 TRP N . 34446 1 712 . 2 . 1 14 14 TRP NE1 N 15 130.260 0.026 . . . . . . B 114 TRP NE1 . 34446 1 713 . 2 . 1 15 15 LYS H H 1 7.389 0.010 . . . . . . B 115 LYS H . 34446 1 714 . 2 . 1 15 15 LYS HA H 1 3.132 0.002 . . . . . . B 115 LYS HA . 34446 1 715 . 2 . 1 15 15 LYS HB2 H 1 1.390 0.004 . . . . . . B 115 LYS HB2 . 34446 1 716 . 2 . 1 15 15 LYS HB3 H 1 1.390 0.004 . . . . . . B 115 LYS HB3 . 34446 1 717 . 2 . 1 15 15 LYS HG2 H 1 0.361 0.004 . . . . . . B 115 LYS HG2 . 34446 1 718 . 2 . 1 15 15 LYS HG3 H 1 0.549 0.007 . . . . . . B 115 LYS HG3 . 34446 1 719 . 2 . 1 15 15 LYS HD2 H 1 1.452 0.006 . . . . . . B 115 LYS HD2 . 34446 1 720 . 2 . 1 15 15 LYS HD3 H 1 1.452 0.006 . . . . . . B 115 LYS HD3 . 34446 1 721 . 2 . 1 15 15 LYS HE2 H 1 2.790 0.007 . . . . . . B 115 LYS HE2 . 34446 1 722 . 2 . 1 15 15 LYS HE3 H 1 2.790 0.007 . . . . . . B 115 LYS HE3 . 34446 1 723 . 2 . 1 15 15 LYS C C 13 176.224 0.000 . . . . . . B 115 LYS C . 34446 1 724 . 2 . 1 15 15 LYS CA C 13 60.224 0.048 . . . . . . B 115 LYS CA . 34446 1 725 . 2 . 1 15 15 LYS CB C 13 31.942 0.039 . . . . . . B 115 LYS CB . 34446 1 726 . 2 . 1 15 15 LYS CG C 13 24.494 0.022 . . . . . . B 115 LYS CG . 34446 1 727 . 2 . 1 15 15 LYS CD C 13 29.473 0.034 . . . . . . B 115 LYS CD . 34446 1 728 . 2 . 1 15 15 LYS CE C 13 42.018 0.019 . . . . . . B 115 LYS CE . 34446 1 729 . 2 . 1 15 15 LYS N N 15 122.494 0.018 . . . . . . B 115 LYS N . 34446 1 730 . 2 . 1 16 16 ASP H H 1 7.789 0.003 . . . . . . B 116 ASP H . 34446 1 731 . 2 . 1 16 16 ASP HA H 1 4.310 0.004 . . . . . . B 116 ASP HA . 34446 1 732 . 2 . 1 16 16 ASP HB2 H 1 2.620 0.004 . . . . . . B 116 ASP HB2 . 34446 1 733 . 2 . 1 16 16 ASP HB3 H 1 2.620 0.004 . . . . . . B 116 ASP HB3 . 34446 1 734 . 2 . 1 16 16 ASP C C 13 177.901 0.000 . . . . . . B 116 ASP C . 34446 1 735 . 2 . 1 16 16 ASP CA C 13 57.456 0.097 . . . . . . B 116 ASP CA . 34446 1 736 . 2 . 1 16 16 ASP CB C 13 40.336 0.076 . . . . . . B 116 ASP CB . 34446 1 737 . 2 . 1 16 16 ASP N N 15 118.605 0.012 . . . . . . B 116 ASP N . 34446 1 738 . 2 . 1 17 17 ASP H H 1 7.994 0.004 . . . . . . B 117 ASP H . 34446 1 739 . 2 . 1 17 17 ASP HA H 1 4.399 0.004 . . . . . . B 117 ASP HA . 34446 1 740 . 2 . 1 17 17 ASP HB2 H 1 2.710 0.011 . . . . . . B 117 ASP HB2 . 34446 1 741 . 2 . 1 17 17 ASP HB3 H 1 2.783 0.004 . . . . . . B 117 ASP HB3 . 34446 1 742 . 2 . 1 17 17 ASP C C 13 176.807 0.008 . . . . . . B 117 ASP C . 34446 1 743 . 2 . 1 17 17 ASP CA C 13 57.144 0.115 . . . . . . B 117 ASP CA . 34446 1 744 . 2 . 1 17 17 ASP CB C 13 41.428 0.042 . . . . . . B 117 ASP CB . 34446 1 745 . 2 . 1 17 17 ASP N N 15 120.534 0.022 . . . . . . B 117 ASP N . 34446 1 746 . 2 . 1 18 18 TYR H H 1 8.384 0.010 . . . . . . B 118 TYR H . 34446 1 747 . 2 . 1 18 18 TYR HA H 1 4.167 0.005 . . . . . . B 118 TYR HA . 34446 1 748 . 2 . 1 18 18 TYR HB2 H 1 2.806 0.008 . . . . . . B 118 TYR HB2 . 34446 1 749 . 2 . 1 18 18 TYR HB3 H 1 3.123 0.009 . . . . . . B 118 TYR HB3 . 34446 1 750 . 2 . 1 18 18 TYR HD1 H 1 7.094 0.006 . . . . . . B 118 TYR HD1 . 34446 1 751 . 2 . 1 18 18 TYR HD2 H 1 7.094 0.006 . . . . . . B 118 TYR HD2 . 34446 1 752 . 2 . 1 18 18 TYR HE1 H 1 6.734 0.008 . . . . . . B 118 TYR HE1 . 34446 1 753 . 2 . 1 18 18 TYR HE2 H 1 6.734 0.008 . . . . . . B 118 TYR HE2 . 34446 1 754 . 2 . 1 18 18 TYR C C 13 176.874 0.000 . . . . . . B 118 TYR C . 34446 1 755 . 2 . 1 18 18 TYR CA C 13 62.632 0.072 . . . . . . B 118 TYR CA . 34446 1 756 . 2 . 1 18 18 TYR CB C 13 38.915 0.040 . . . . . . B 118 TYR CB . 34446 1 757 . 2 . 1 18 18 TYR CD1 C 13 132.627 0.028 . . . . . . B 118 TYR CD1 . 34446 1 758 . 2 . 1 18 18 TYR CE1 C 13 118.044 0.071 . . . . . . B 118 TYR CE1 . 34446 1 759 . 2 . 1 18 18 TYR N N 15 122.609 0.033 . . . . . . B 118 TYR N . 34446 1 760 . 2 . 1 19 19 LEU H H 1 8.637 0.005 . . . . . . B 119 LEU H . 34446 1 761 . 2 . 1 19 19 LEU HA H 1 3.901 0.005 . . . . . . B 119 LEU HA . 34446 1 762 . 2 . 1 19 19 LEU HB2 H 1 1.569 0.006 . . . . . . B 119 LEU HB2 . 34446 1 763 . 2 . 1 19 19 LEU HB3 H 1 1.847 0.009 . . . . . . B 119 LEU HB3 . 34446 1 764 . 2 . 1 19 19 LEU HG H 1 1.764 0.003 . . . . . . B 119 LEU HG . 34446 1 765 . 2 . 1 19 19 LEU HD11 H 1 0.892 0.002 . . . . . . B 119 LEU HD11 . 34446 1 766 . 2 . 1 19 19 LEU HD12 H 1 0.892 0.002 . . . . . . B 119 LEU HD12 . 34446 1 767 . 2 . 1 19 19 LEU HD13 H 1 0.892 0.002 . . . . . . B 119 LEU HD13 . 34446 1 768 . 2 . 1 19 19 LEU HD21 H 1 0.899 0.008 . . . . . . B 119 LEU HD21 . 34446 1 769 . 2 . 1 19 19 LEU HD22 H 1 0.899 0.008 . . . . . . B 119 LEU HD22 . 34446 1 770 . 2 . 1 19 19 LEU HD23 H 1 0.899 0.008 . . . . . . B 119 LEU HD23 . 34446 1 771 . 2 . 1 19 19 LEU C C 13 178.340 0.000 . . . . . . B 119 LEU C . 34446 1 772 . 2 . 1 19 19 LEU CA C 13 58.304 0.046 . . . . . . B 119 LEU CA . 34446 1 773 . 2 . 1 19 19 LEU CB C 13 41.720 0.037 . . . . . . B 119 LEU CB . 34446 1 774 . 2 . 1 19 19 LEU CG C 13 27.187 0.065 . . . . . . B 119 LEU CG . 34446 1 775 . 2 . 1 19 19 LEU CD1 C 13 23.846 0.070 . . . . . . B 119 LEU CD1 . 34446 1 776 . 2 . 1 19 19 LEU CD2 C 13 24.971 0.056 . . . . . . B 119 LEU CD2 . 34446 1 777 . 2 . 1 19 19 LEU N N 15 118.147 0.011 . . . . . . B 119 LEU N . 34446 1 778 . 2 . 1 20 20 SER H H 1 7.902 0.009 . . . . . . B 120 SER H . 34446 1 779 . 2 . 1 20 20 SER HA H 1 4.152 0.010 . . . . . . B 120 SER HA . 34446 1 780 . 2 . 1 20 20 SER HB2 H 1 4.018 0.005 . . . . . . B 120 SER HB2 . 34446 1 781 . 2 . 1 20 20 SER HB3 H 1 4.018 0.005 . . . . . . B 120 SER HB3 . 34446 1 782 . 2 . 1 20 20 SER C C 13 176.620 0.000 . . . . . . B 120 SER C . 34446 1 783 . 2 . 1 20 20 SER CA C 13 61.744 0.076 . . . . . . B 120 SER CA . 34446 1 784 . 2 . 1 20 20 SER CB C 13 62.567 0.078 . . . . . . B 120 SER CB . 34446 1 785 . 2 . 1 20 20 SER N N 15 114.699 0.032 . . . . . . B 120 SER N . 34446 1 786 . 2 . 1 21 21 ARG H H 1 7.754 0.004 . . . . . . B 121 ARG H . 34446 1 787 . 2 . 1 21 21 ARG HA H 1 3.970 0.006 . . . . . . B 121 ARG HA . 34446 1 788 . 2 . 1 21 21 ARG HB2 H 1 1.794 0.008 . . . . . . B 121 ARG HB2 . 34446 1 789 . 2 . 1 21 21 ARG HB3 H 1 1.883 0.002 . . . . . . B 121 ARG HB3 . 34446 1 790 . 2 . 1 21 21 ARG HG2 H 1 1.507 0.003 . . . . . . B 121 ARG HG2 . 34446 1 791 . 2 . 1 21 21 ARG HG3 H 1 1.507 0.003 . . . . . . B 121 ARG HG3 . 34446 1 792 . 2 . 1 21 21 ARG HD2 H 1 3.084 0.001 . . . . . . B 121 ARG HD2 . 34446 1 793 . 2 . 1 21 21 ARG HD3 H 1 3.153 0.009 . . . . . . B 121 ARG HD3 . 34446 1 794 . 2 . 1 21 21 ARG C C 13 178.647 0.000 . . . . . . B 121 ARG C . 34446 1 795 . 2 . 1 21 21 ARG CA C 13 59.580 0.072 . . . . . . B 121 ARG CA . 34446 1 796 . 2 . 1 21 21 ARG CB C 13 29.815 0.071 . . . . . . B 121 ARG CB . 34446 1 797 . 2 . 1 21 21 ARG CG C 13 27.740 0.077 . . . . . . B 121 ARG CG . 34446 1 798 . 2 . 1 21 21 ARG CD C 13 43.782 0.026 . . . . . . B 121 ARG CD . 34446 1 799 . 2 . 1 21 21 ARG N N 15 122.254 0.020 . . . . . . B 121 ARG N . 34446 1 800 . 2 . 1 22 22 LEU H H 1 8.331 0.003 . . . . . . B 122 LEU H . 34446 1 801 . 2 . 1 22 22 LEU HA H 1 3.830 0.008 . . . . . . B 122 LEU HA . 34446 1 802 . 2 . 1 22 22 LEU HB2 H 1 1.252 0.005 . . . . . . B 122 LEU HB2 . 34446 1 803 . 2 . 1 22 22 LEU HB3 H 1 1.930 0.006 . . . . . . B 122 LEU HB3 . 34446 1 804 . 2 . 1 22 22 LEU HG H 1 1.483 0.010 . . . . . . B 122 LEU HG . 34446 1 805 . 2 . 1 22 22 LEU HD11 H 1 0.496 0.004 . . . . . . B 122 LEU HD11 . 34446 1 806 . 2 . 1 22 22 LEU HD12 H 1 0.496 0.004 . . . . . . B 122 LEU HD12 . 34446 1 807 . 2 . 1 22 22 LEU HD13 H 1 0.496 0.004 . . . . . . B 122 LEU HD13 . 34446 1 808 . 2 . 1 22 22 LEU HD21 H 1 0.768 0.005 . . . . . . B 122 LEU HD21 . 34446 1 809 . 2 . 1 22 22 LEU HD22 H 1 0.768 0.005 . . . . . . B 122 LEU HD22 . 34446 1 810 . 2 . 1 22 22 LEU HD23 H 1 0.768 0.005 . . . . . . B 122 LEU HD23 . 34446 1 811 . 2 . 1 22 22 LEU C C 13 177.770 0.000 . . . . . . B 122 LEU C . 34446 1 812 . 2 . 1 22 22 LEU CA C 13 57.552 0.072 . . . . . . B 122 LEU CA . 34446 1 813 . 2 . 1 22 22 LEU CB C 13 42.165 0.015 . . . . . . B 122 LEU CB . 34446 1 814 . 2 . 1 22 22 LEU CG C 13 26.149 0.049 . . . . . . B 122 LEU CG . 34446 1 815 . 2 . 1 22 22 LEU CD1 C 13 22.607 0.103 . . . . . . B 122 LEU CD1 . 34446 1 816 . 2 . 1 22 22 LEU CD2 C 13 26.794 0.046 . . . . . . B 122 LEU CD2 . 34446 1 817 . 2 . 1 22 22 LEU N N 15 119.620 0.010 . . . . . . B 122 LEU N . 34446 1 818 . 2 . 1 23 23 SER H H 1 7.955 0.006 . . . . . . B 123 SER H . 34446 1 819 . 2 . 1 23 23 SER HA H 1 4.262 0.004 . . . . . . B 123 SER HA . 34446 1 820 . 2 . 1 23 23 SER HB2 H 1 4.019 0.002 . . . . . . B 123 SER HB2 . 34446 1 821 . 2 . 1 23 23 SER HB3 H 1 4.019 0.002 . . . . . . B 123 SER HB3 . 34446 1 822 . 2 . 1 23 23 SER C C 13 174.173 0.000 . . . . . . B 123 SER C . 34446 1 823 . 2 . 1 23 23 SER CA C 13 61.382 0.102 . . . . . . B 123 SER CA . 34446 1 824 . 2 . 1 23 23 SER CB C 13 63.279 0.125 . . . . . . B 123 SER CB . 34446 1 825 . 2 . 1 23 23 SER N N 15 111.453 0.018 . . . . . . B 123 SER N . 34446 1 826 . 2 . 1 24 24 ARG H H 1 7.173 0.007 . . . . . . B 124 ARG H . 34446 1 827 . 2 . 1 24 24 ARG HA H 1 4.364 0.005 . . . . . . B 124 ARG HA . 34446 1 828 . 2 . 1 24 24 ARG HB2 H 1 1.729 0.006 . . . . . . B 124 ARG HB2 . 34446 1 829 . 2 . 1 24 24 ARG HB3 H 1 2.085 0.006 . . . . . . B 124 ARG HB3 . 34446 1 830 . 2 . 1 24 24 ARG HG2 H 1 1.662 0.004 . . . . . . B 124 ARG HG2 . 34446 1 831 . 2 . 1 24 24 ARG HG3 H 1 1.782 0.007 . . . . . . B 124 ARG HG3 . 34446 1 832 . 2 . 1 24 24 ARG HD2 H 1 3.168 0.004 . . . . . . B 124 ARG HD2 . 34446 1 833 . 2 . 1 24 24 ARG HD3 H 1 3.206 0.007 . . . . . . B 124 ARG HD3 . 34446 1 834 . 2 . 1 24 24 ARG C C 13 175.255 0.000 . . . . . . B 124 ARG C . 34446 1 835 . 2 . 1 24 24 ARG CA C 13 56.056 0.056 . . . . . . B 124 ARG CA . 34446 1 836 . 2 . 1 24 24 ARG CB C 13 30.655 0.051 . . . . . . B 124 ARG CB . 34446 1 837 . 2 . 1 24 24 ARG CG C 13 27.556 0.074 . . . . . . B 124 ARG CG . 34446 1 838 . 2 . 1 24 24 ARG CD C 13 43.412 0.049 . . . . . . B 124 ARG CD . 34446 1 839 . 2 . 1 24 24 ARG N N 15 119.236 0.010 . . . . . . B 124 ARG N . 34446 1 840 . 2 . 1 25 25 LEU H H 1 7.525 0.005 . . . . . . B 125 LEU H . 34446 1 841 . 2 . 1 25 25 LEU HA H 1 4.514 0.003 . . . . . . B 125 LEU HA . 34446 1 842 . 2 . 1 25 25 LEU HB2 H 1 1.515 0.003 . . . . . . B 125 LEU HB2 . 34446 1 843 . 2 . 1 25 25 LEU HB3 H 1 1.971 0.009 . . . . . . B 125 LEU HB3 . 34446 1 844 . 2 . 1 25 25 LEU HG H 1 1.867 0.010 . . . . . . B 125 LEU HG . 34446 1 845 . 2 . 1 25 25 LEU HD11 H 1 0.740 0.007 . . . . . . B 125 LEU HD11 . 34446 1 846 . 2 . 1 25 25 LEU HD12 H 1 0.740 0.007 . . . . . . B 125 LEU HD12 . 34446 1 847 . 2 . 1 25 25 LEU HD13 H 1 0.740 0.007 . . . . . . B 125 LEU HD13 . 34446 1 848 . 2 . 1 25 25 LEU HD21 H 1 0.798 0.007 . . . . . . B 125 LEU HD21 . 34446 1 849 . 2 . 1 25 25 LEU HD22 H 1 0.798 0.007 . . . . . . B 125 LEU HD22 . 34446 1 850 . 2 . 1 25 25 LEU HD23 H 1 0.798 0.007 . . . . . . B 125 LEU HD23 . 34446 1 851 . 2 . 1 25 25 LEU C C 13 175.583 0.000 . . . . . . B 125 LEU C . 34446 1 852 . 2 . 1 25 25 LEU CA C 13 54.306 0.071 . . . . . . B 125 LEU CA . 34446 1 853 . 2 . 1 25 25 LEU CB C 13 42.636 0.066 . . . . . . B 125 LEU CB . 34446 1 854 . 2 . 1 25 25 LEU CG C 13 26.677 0.307 . . . . . . B 125 LEU CG . 34446 1 855 . 2 . 1 25 25 LEU CD1 C 13 22.209 0.018 . . . . . . B 125 LEU CD1 . 34446 1 856 . 2 . 1 25 25 LEU CD2 C 13 25.854 0.021 . . . . . . B 125 LEU CD2 . 34446 1 857 . 2 . 1 25 25 LEU N N 15 120.790 0.016 . . . . . . B 125 LEU N . 34446 1 858 . 2 . 1 26 26 SER H H 1 8.914 0.005 . . . . . . B 126 SER H . 34446 1 859 . 2 . 1 26 26 SER HA H 1 4.577 0.006 . . . . . . B 126 SER HA . 34446 1 860 . 2 . 1 26 26 SER HB2 H 1 4.022 0.006 . . . . . . B 126 SER HB2 . 34446 1 861 . 2 . 1 26 26 SER HB3 H 1 4.435 0.006 . . . . . . B 126 SER HB3 . 34446 1 862 . 2 . 1 26 26 SER C C 13 174.129 0.000 . . . . . . B 126 SER C . 34446 1 863 . 2 . 1 26 26 SER CA C 13 56.609 0.061 . . . . . . B 126 SER CA . 34446 1 864 . 2 . 1 26 26 SER CB C 13 65.717 0.026 . . . . . . B 126 SER CB . 34446 1 865 . 2 . 1 26 26 SER N N 15 116.088 0.112 . . . . . . B 126 SER N . 34446 1 866 . 2 . 1 27 27 LYS H H 1 9.296 0.003 . . . . . . B 127 LYS H . 34446 1 867 . 2 . 1 27 27 LYS HA H 1 3.870 0.003 . . . . . . B 127 LYS HA . 34446 1 868 . 2 . 1 27 27 LYS HB2 H 1 1.852 0.005 . . . . . . B 127 LYS HB2 . 34446 1 869 . 2 . 1 27 27 LYS HB3 H 1 1.912 0.007 . . . . . . B 127 LYS HB3 . 34446 1 870 . 2 . 1 27 27 LYS HG2 H 1 1.257 0.009 . . . . . . B 127 LYS HG2 . 34446 1 871 . 2 . 1 27 27 LYS HG3 H 1 1.394 0.004 . . . . . . B 127 LYS HG3 . 34446 1 872 . 2 . 1 27 27 LYS HD2 H 1 1.724 0.001 . . . . . . B 127 LYS HD2 . 34446 1 873 . 2 . 1 27 27 LYS HD3 H 1 1.765 0.006 . . . . . . B 127 LYS HD3 . 34446 1 874 . 2 . 1 27 27 LYS HE2 H 1 3.052 0.006 . . . . . . B 127 LYS HE2 . 34446 1 875 . 2 . 1 27 27 LYS HE3 H 1 3.052 0.006 . . . . . . B 127 LYS HE3 . 34446 1 876 . 2 . 1 27 27 LYS C C 13 176.879 0.000 . . . . . . B 127 LYS C . 34446 1 877 . 2 . 1 27 27 LYS CA C 13 61.485 0.083 . . . . . . B 127 LYS CA . 34446 1 878 . 2 . 1 27 27 LYS CB C 13 31.903 0.055 . . . . . . B 127 LYS CB . 34446 1 879 . 2 . 1 27 27 LYS CG C 13 25.950 0.031 . . . . . . B 127 LYS CG . 34446 1 880 . 2 . 1 27 27 LYS CD C 13 29.790 0.029 . . . . . . B 127 LYS CD . 34446 1 881 . 2 . 1 27 27 LYS CE C 13 42.412 0.039 . . . . . . B 127 LYS CE . 34446 1 882 . 2 . 1 27 27 LYS N N 15 121.289 0.022 . . . . . . B 127 LYS N . 34446 1 883 . 2 . 1 28 28 ASN H H 1 8.730 0.005 . . . . . . B 128 ASN H . 34446 1 884 . 2 . 1 28 28 ASN HA H 1 4.493 0.005 . . . . . . B 128 ASN HA . 34446 1 885 . 2 . 1 28 28 ASN HB2 H 1 2.734 0.002 . . . . . . B 128 ASN HB2 . 34446 1 886 . 2 . 1 28 28 ASN HB3 H 1 2.734 0.002 . . . . . . B 128 ASN HB3 . 34446 1 887 . 2 . 1 28 28 ASN HD21 H 1 7.700 0.001 . . . . . . B 128 ASN HD21 . 34446 1 888 . 2 . 1 28 28 ASN HD22 H 1 6.982 0.002 . . . . . . B 128 ASN HD22 . 34446 1 889 . 2 . 1 28 28 ASN C C 13 177.750 0.000 . . . . . . B 128 ASN C . 34446 1 890 . 2 . 1 28 28 ASN CA C 13 56.794 0.041 . . . . . . B 128 ASN CA . 34446 1 891 . 2 . 1 28 28 ASN CB C 13 37.865 0.020 . . . . . . B 128 ASN CB . 34446 1 892 . 2 . 1 28 28 ASN N N 15 116.550 0.015 . . . . . . B 128 ASN N . 34446 1 893 . 2 . 1 28 28 ASN ND2 N 15 112.371 0.008 . . . . . . B 128 ASN ND2 . 34446 1 894 . 2 . 1 29 29 GLN H H 1 7.950 0.002 . . . . . . B 129 GLN H . 34446 1 895 . 2 . 1 29 29 GLN HA H 1 4.111 0.006 . . . . . . B 129 GLN HA . 34446 1 896 . 2 . 1 29 29 GLN HB2 H 1 2.509 0.010 . . . . . . B 129 GLN HB2 . 34446 1 897 . 2 . 1 29 29 GLN HB3 H 1 1.963 0.000 . . . . . . B 129 GLN HB3 . 34446 1 898 . 2 . 1 29 29 GLN HG2 H 1 2.461 0.004 . . . . . . B 129 GLN HG2 . 34446 1 899 . 2 . 1 29 29 GLN HG3 H 1 2.461 0.004 . . . . . . B 129 GLN HG3 . 34446 1 900 . 2 . 1 29 29 GLN HE21 H 1 7.639 0.004 . . . . . . B 129 GLN HE21 . 34446 1 901 . 2 . 1 29 29 GLN HE22 H 1 6.895 0.003 . . . . . . B 129 GLN HE22 . 34446 1 902 . 2 . 1 29 29 GLN C C 13 178.673 0.000 . . . . . . B 129 GLN C . 34446 1 903 . 2 . 1 29 29 GLN CA C 13 58.811 0.065 . . . . . . B 129 GLN CA . 34446 1 904 . 2 . 1 29 29 GLN CB C 13 29.844 0.025 . . . . . . B 129 GLN CB . 34446 1 905 . 2 . 1 29 29 GLN CG C 13 34.911 0.025 . . . . . . B 129 GLN CG . 34446 1 906 . 2 . 1 29 29 GLN N N 15 120.485 0.026 . . . . . . B 129 GLN N . 34446 1 907 . 2 . 1 29 29 GLN NE2 N 15 112.443 0.021 . . . . . . B 129 GLN NE2 . 34446 1 908 . 2 . 1 30 30 LEU H H 1 8.801 0.005 . . . . . . B 130 LEU H . 34446 1 909 . 2 . 1 30 30 LEU HA H 1 4.024 0.006 . . . . . . B 130 LEU HA . 34446 1 910 . 2 . 1 30 30 LEU HB2 H 1 1.329 0.006 . . . . . . B 130 LEU HB2 . 34446 1 911 . 2 . 1 30 30 LEU HB3 H 1 2.136 0.007 . . . . . . B 130 LEU HB3 . 34446 1 912 . 2 . 1 30 30 LEU HG H 1 1.737 0.010 . . . . . . B 130 LEU HG . 34446 1 913 . 2 . 1 30 30 LEU HD11 H 1 0.890 0.007 . . . . . . B 130 LEU HD11 . 34446 1 914 . 2 . 1 30 30 LEU HD12 H 1 0.890 0.007 . . . . . . B 130 LEU HD12 . 34446 1 915 . 2 . 1 30 30 LEU HD13 H 1 0.890 0.007 . . . . . . B 130 LEU HD13 . 34446 1 916 . 2 . 1 30 30 LEU HD21 H 1 0.867 0.009 . . . . . . B 130 LEU HD21 . 34446 1 917 . 2 . 1 30 30 LEU HD22 H 1 0.867 0.009 . . . . . . B 130 LEU HD22 . 34446 1 918 . 2 . 1 30 30 LEU HD23 H 1 0.867 0.009 . . . . . . B 130 LEU HD23 . 34446 1 919 . 2 . 1 30 30 LEU C C 13 177.417 0.000 . . . . . . B 130 LEU C . 34446 1 920 . 2 . 1 30 30 LEU CA C 13 58.292 0.049 . . . . . . B 130 LEU CA . 34446 1 921 . 2 . 1 30 30 LEU CB C 13 43.396 0.061 . . . . . . B 130 LEU CB . 34446 1 922 . 2 . 1 30 30 LEU CG C 13 27.435 0.052 . . . . . . B 130 LEU CG . 34446 1 923 . 2 . 1 30 30 LEU CD1 C 13 25.283 0.091 . . . . . . B 130 LEU CD1 . 34446 1 924 . 2 . 1 30 30 LEU CD2 C 13 26.733 0.038 . . . . . . B 130 LEU CD2 . 34446 1 925 . 2 . 1 30 30 LEU N N 15 123.353 0.016 . . . . . . B 130 LEU N . 34446 1 926 . 2 . 1 31 31 MET H H 1 8.546 0.003 . . . . . . B 131 MET H . 34446 1 927 . 2 . 1 31 31 MET HA H 1 3.900 0.005 . . . . . . B 131 MET HA . 34446 1 928 . 2 . 1 31 31 MET HB2 H 1 1.987 0.007 . . . . . . B 131 MET HB2 . 34446 1 929 . 2 . 1 31 31 MET HB3 H 1 2.284 0.012 . . . . . . B 131 MET HB3 . 34446 1 930 . 2 . 1 31 31 MET HG2 H 1 2.213 0.014 . . . . . . B 131 MET HG2 . 34446 1 931 . 2 . 1 31 31 MET HG3 H 1 2.795 0.006 . . . . . . B 131 MET HG3 . 34446 1 932 . 2 . 1 31 31 MET HE1 H 1 2.051 0.006 . . . . . . B 131 MET HE1 . 34446 1 933 . 2 . 1 31 31 MET HE2 H 1 2.051 0.006 . . . . . . B 131 MET HE2 . 34446 1 934 . 2 . 1 31 31 MET HE3 H 1 2.051 0.006 . . . . . . B 131 MET HE3 . 34446 1 935 . 2 . 1 31 31 MET C C 13 175.662 0.000 . . . . . . B 131 MET C . 34446 1 936 . 2 . 1 31 31 MET CA C 13 60.287 0.060 . . . . . . B 131 MET CA . 34446 1 937 . 2 . 1 31 31 MET CB C 13 33.669 0.052 . . . . . . B 131 MET CB . 34446 1 938 . 2 . 1 31 31 MET CG C 13 32.204 0.050 . . . . . . B 131 MET CG . 34446 1 939 . 2 . 1 31 31 MET CE C 13 16.310 0.009 . . . . . . B 131 MET CE . 34446 1 940 . 2 . 1 31 31 MET N N 15 118.738 0.008 . . . . . . B 131 MET N . 34446 1 941 . 2 . 1 32 32 ALA H H 1 7.490 0.003 . . . . . . B 132 ALA H . 34446 1 942 . 2 . 1 32 32 ALA HA H 1 4.046 0.005 . . . . . . B 132 ALA HA . 34446 1 943 . 2 . 1 32 32 ALA HB1 H 1 1.506 0.006 . . . . . . B 132 ALA HB1 . 34446 1 944 . 2 . 1 32 32 ALA HB2 H 1 1.506 0.006 . . . . . . B 132 ALA HB2 . 34446 1 945 . 2 . 1 32 32 ALA HB3 H 1 1.506 0.006 . . . . . . B 132 ALA HB3 . 34446 1 946 . 2 . 1 32 32 ALA C C 13 179.173 0.000 . . . . . . B 132 ALA C . 34446 1 947 . 2 . 1 32 32 ALA CA C 13 55.071 0.068 . . . . . . B 132 ALA CA . 34446 1 948 . 2 . 1 32 32 ALA CB C 13 17.954 0.063 . . . . . . B 132 ALA CB . 34446 1 949 . 2 . 1 32 32 ALA N N 15 119.081 0.016 . . . . . . B 132 ALA N . 34446 1 950 . 2 . 1 33 33 LEU H H 1 7.956 0.045 . . . . . . B 133 LEU H . 34446 1 951 . 2 . 1 33 33 LEU HA H 1 4.242 0.002 . . . . . . B 133 LEU HA . 34446 1 952 . 2 . 1 33 33 LEU HB2 H 1 1.609 0.005 . . . . . . B 133 LEU HB2 . 34446 1 953 . 2 . 1 33 33 LEU HB3 H 1 1.972 0.007 . . . . . . B 133 LEU HB3 . 34446 1 954 . 2 . 1 33 33 LEU HG H 1 1.611 0.003 . . . . . . B 133 LEU HG . 34446 1 955 . 2 . 1 33 33 LEU HD11 H 1 0.976 0.007 . . . . . . B 133 LEU HD11 . 34446 1 956 . 2 . 1 33 33 LEU HD12 H 1 0.976 0.007 . . . . . . B 133 LEU HD12 . 34446 1 957 . 2 . 1 33 33 LEU HD13 H 1 0.976 0.007 . . . . . . B 133 LEU HD13 . 34446 1 958 . 2 . 1 33 33 LEU HD21 H 1 0.892 0.011 . . . . . . B 133 LEU HD21 . 34446 1 959 . 2 . 1 33 33 LEU HD22 H 1 0.892 0.011 . . . . . . B 133 LEU HD22 . 34446 1 960 . 2 . 1 33 33 LEU HD23 H 1 0.892 0.011 . . . . . . B 133 LEU HD23 . 34446 1 961 . 2 . 1 33 33 LEU C C 13 176.742 0.000 . . . . . . B 133 LEU C . 34446 1 962 . 2 . 1 33 33 LEU CA C 13 57.982 0.055 . . . . . . B 133 LEU CA . 34446 1 963 . 2 . 1 33 33 LEU CB C 13 42.364 0.102 . . . . . . B 133 LEU CB . 34446 1 964 . 2 . 1 33 33 LEU CG C 13 27.205 0.139 . . . . . . B 133 LEU CG . 34446 1 965 . 2 . 1 33 33 LEU CD1 C 13 23.459 0.019 . . . . . . B 133 LEU CD1 . 34446 1 966 . 2 . 1 33 33 LEU CD2 C 13 26.656 0.030 . . . . . . B 133 LEU CD2 . 34446 1 967 . 2 . 1 33 33 LEU N N 15 121.097 0.018 . . . . . . B 133 LEU N . 34446 1 968 . 2 . 1 34 34 ALA H H 1 8.594 0.005 . . . . . . B 134 ALA H . 34446 1 969 . 2 . 1 34 34 ALA HA H 1 4.007 0.007 . . . . . . B 134 ALA HA . 34446 1 970 . 2 . 1 34 34 ALA HB1 H 1 1.525 0.007 . . . . . . B 134 ALA HB1 . 34446 1 971 . 2 . 1 34 34 ALA HB2 H 1 1.525 0.007 . . . . . . B 134 ALA HB2 . 34446 1 972 . 2 . 1 34 34 ALA HB3 H 1 1.525 0.007 . . . . . . B 134 ALA HB3 . 34446 1 973 . 2 . 1 34 34 ALA C C 13 177.746 0.000 . . . . . . B 134 ALA C . 34446 1 974 . 2 . 1 34 34 ALA CA C 13 55.870 0.096 . . . . . . B 134 ALA CA . 34446 1 975 . 2 . 1 34 34 ALA CB C 13 17.697 0.084 . . . . . . B 134 ALA CB . 34446 1 976 . 2 . 1 34 34 ALA N N 15 121.410 0.017 . . . . . . B 134 ALA N . 34446 1 977 . 2 . 1 35 35 LEU H H 1 8.204 0.006 . . . . . . B 135 LEU H . 34446 1 978 . 2 . 1 35 35 LEU HA H 1 4.240 0.008 . . . . . . B 135 LEU HA . 34446 1 979 . 2 . 1 35 35 LEU HB2 H 1 1.710 0.006 . . . . . . B 135 LEU HB2 . 34446 1 980 . 2 . 1 35 35 LEU HB3 H 1 1.997 0.008 . . . . . . B 135 LEU HB3 . 34446 1 981 . 2 . 1 35 35 LEU HG H 1 1.751 0.013 . . . . . . B 135 LEU HG . 34446 1 982 . 2 . 1 35 35 LEU HD11 H 1 0.973 0.006 . . . . . . B 135 LEU HD11 . 34446 1 983 . 2 . 1 35 35 LEU HD12 H 1 0.973 0.006 . . . . . . B 135 LEU HD12 . 34446 1 984 . 2 . 1 35 35 LEU HD13 H 1 0.973 0.006 . . . . . . B 135 LEU HD13 . 34446 1 985 . 2 . 1 35 35 LEU HD21 H 1 0.991 0.007 . . . . . . B 135 LEU HD21 . 34446 1 986 . 2 . 1 35 35 LEU HD22 H 1 0.991 0.007 . . . . . . B 135 LEU HD22 . 34446 1 987 . 2 . 1 35 35 LEU HD23 H 1 0.991 0.007 . . . . . . B 135 LEU HD23 . 34446 1 988 . 2 . 1 35 35 LEU C C 13 177.073 0.000 . . . . . . B 135 LEU C . 34446 1 989 . 2 . 1 35 35 LEU CA C 13 58.876 0.090 . . . . . . B 135 LEU CA . 34446 1 990 . 2 . 1 35 35 LEU CB C 13 42.061 0.064 . . . . . . B 135 LEU CB . 34446 1 991 . 2 . 1 35 35 LEU CG C 13 27.062 0.105 . . . . . . B 135 LEU CG . 34446 1 992 . 2 . 1 35 35 LEU CD1 C 13 25.860 0.026 . . . . . . B 135 LEU CD1 . 34446 1 993 . 2 . 1 35 35 LEU CD2 C 13 25.303 0.028 . . . . . . B 135 LEU CD2 . 34446 1 994 . 2 . 1 35 35 LEU N N 15 116.943 0.015 . . . . . . B 135 LEU N . 34446 1 995 . 2 . 1 36 36 LYS H H 1 7.850 0.006 . . . . . . B 136 LYS H . 34446 1 996 . 2 . 1 36 36 LYS HA H 1 4.156 0.023 . . . . . . B 136 LYS HA . 34446 1 997 . 2 . 1 36 36 LYS HB2 H 1 2.009 0.004 . . . . . . B 136 LYS HB2 . 34446 1 998 . 2 . 1 36 36 LYS HB3 H 1 2.121 0.010 . . . . . . B 136 LYS HB3 . 34446 1 999 . 2 . 1 36 36 LYS HG2 H 1 1.399 0.003 . . . . . . B 136 LYS HG2 . 34446 1 1000 . 2 . 1 36 36 LYS HG3 H 1 1.575 0.004 . . . . . . B 136 LYS HG3 . 34446 1 1001 . 2 . 1 36 36 LYS HD2 H 1 1.714 0.008 . . . . . . B 136 LYS HD2 . 34446 1 1002 . 2 . 1 36 36 LYS HD3 H 1 1.714 0.008 . . . . . . B 136 LYS HD3 . 34446 1 1003 . 2 . 1 36 36 LYS HE2 H 1 2.970 0.009 . . . . . . B 136 LYS HE2 . 34446 1 1004 . 2 . 1 36 36 LYS HE3 H 1 2.970 0.009 . . . . . . B 136 LYS HE3 . 34446 1 1005 . 2 . 1 36 36 LYS C C 13 178.397 0.000 . . . . . . B 136 LYS C . 34446 1 1006 . 2 . 1 36 36 LYS CA C 13 59.589 0.060 . . . . . . B 136 LYS CA . 34446 1 1007 . 2 . 1 36 36 LYS CB C 13 32.362 0.030 . . . . . . B 136 LYS CB . 34446 1 1008 . 2 . 1 36 36 LYS CG C 13 24.870 0.048 . . . . . . B 136 LYS CG . 34446 1 1009 . 2 . 1 36 36 LYS CD C 13 29.491 0.063 . . . . . . B 136 LYS CD . 34446 1 1010 . 2 . 1 36 36 LYS CE C 13 42.134 0.030 . . . . . . B 136 LYS CE . 34446 1 1011 . 2 . 1 36 36 LYS N N 15 119.793 0.015 . . . . . . B 136 LYS N . 34446 1 1012 . 2 . 1 37 37 LEU H H 1 8.635 0.005 . . . . . . B 137 LEU H . 34446 1 1013 . 2 . 1 37 37 LEU HA H 1 4.111 0.011 . . . . . . B 137 LEU HA . 34446 1 1014 . 2 . 1 37 37 LEU HB2 H 1 1.307 0.010 . . . . . . B 137 LEU HB2 . 34446 1 1015 . 2 . 1 37 37 LEU HB3 H 1 2.088 0.005 . . . . . . B 137 LEU HB3 . 34446 1 1016 . 2 . 1 37 37 LEU HG H 1 1.933 0.009 . . . . . . B 137 LEU HG . 34446 1 1017 . 2 . 1 37 37 LEU HD11 H 1 0.856 0.005 . . . . . . B 137 LEU HD11 . 34446 1 1018 . 2 . 1 37 37 LEU HD12 H 1 0.856 0.005 . . . . . . B 137 LEU HD12 . 34446 1 1019 . 2 . 1 37 37 LEU HD13 H 1 0.856 0.005 . . . . . . B 137 LEU HD13 . 34446 1 1020 . 2 . 1 37 37 LEU HD21 H 1 1.027 0.006 . . . . . . B 137 LEU HD21 . 34446 1 1021 . 2 . 1 37 37 LEU HD22 H 1 1.027 0.006 . . . . . . B 137 LEU HD22 . 34446 1 1022 . 2 . 1 37 37 LEU HD23 H 1 1.027 0.006 . . . . . . B 137 LEU HD23 . 34446 1 1023 . 2 . 1 37 37 LEU C C 13 178.849 0.000 . . . . . . B 137 LEU C . 34446 1 1024 . 2 . 1 37 37 LEU CA C 13 57.863 0.057 . . . . . . B 137 LEU CA . 34446 1 1025 . 2 . 1 37 37 LEU CB C 13 43.446 0.067 . . . . . . B 137 LEU CB . 34446 1 1026 . 2 . 1 37 37 LEU CG C 13 27.017 0.019 . . . . . . B 137 LEU CG . 34446 1 1027 . 2 . 1 37 37 LEU CD1 C 13 23.050 0.024 . . . . . . B 137 LEU CD1 . 34446 1 1028 . 2 . 1 37 37 LEU CD2 C 13 26.987 0.043 . . . . . . B 137 LEU CD2 . 34446 1 1029 . 2 . 1 37 37 LEU N N 15 119.409 0.008 . . . . . . B 137 LEU N . 34446 1 1030 . 2 . 1 38 38 LYS H H 1 8.825 0.008 . . . . . . B 138 LYS H . 34446 1 1031 . 2 . 1 38 38 LYS HA H 1 4.006 0.010 . . . . . . B 138 LYS HA . 34446 1 1032 . 2 . 1 38 38 LYS HB2 H 1 1.938 0.009 . . . . . . B 138 LYS HB2 . 34446 1 1033 . 2 . 1 38 38 LYS HB3 H 1 2.043 0.011 . . . . . . B 138 LYS HB3 . 34446 1 1034 . 2 . 1 38 38 LYS HG2 H 1 0.653 0.006 . . . . . . B 138 LYS HG2 . 34446 1 1035 . 2 . 1 38 38 LYS HG3 H 1 0.839 0.011 . . . . . . B 138 LYS HG3 . 34446 1 1036 . 2 . 1 38 38 LYS HD2 H 1 1.369 0.007 . . . . . . B 138 LYS HD2 . 34446 1 1037 . 2 . 1 38 38 LYS HD3 H 1 1.607 0.006 . . . . . . B 138 LYS HD3 . 34446 1 1038 . 2 . 1 38 38 LYS HE2 H 1 2.428 0.009 . . . . . . B 138 LYS HE2 . 34446 1 1039 . 2 . 1 38 38 LYS HE3 H 1 2.653 0.006 . . . . . . B 138 LYS HE3 . 34446 1 1040 . 2 . 1 38 38 LYS C C 13 177.053 0.000 . . . . . . B 138 LYS C . 34446 1 1041 . 2 . 1 38 38 LYS CA C 13 57.966 0.058 . . . . . . B 138 LYS CA . 34446 1 1042 . 2 . 1 38 38 LYS CB C 13 31.558 0.049 . . . . . . B 138 LYS CB . 34446 1 1043 . 2 . 1 38 38 LYS CG C 13 24.293 0.047 . . . . . . B 138 LYS CG . 34446 1 1044 . 2 . 1 38 38 LYS CD C 13 28.146 0.039 . . . . . . B 138 LYS CD . 34446 1 1045 . 2 . 1 38 38 LYS CE C 13 42.299 0.027 . . . . . . B 138 LYS CE . 34446 1 1046 . 2 . 1 38 38 LYS N N 15 122.138 0.027 . . . . . . B 138 LYS N . 34446 1 1047 . 2 . 1 39 39 GLN H H 1 8.751 0.008 . . . . . . B 139 GLN H . 34446 1 1048 . 2 . 1 39 39 GLN HA H 1 3.839 0.005 . . . . . . B 139 GLN HA . 34446 1 1049 . 2 . 1 39 39 GLN HB2 H 1 2.286 0.005 . . . . . . B 139 GLN HB2 . 34446 1 1050 . 2 . 1 39 39 GLN HB3 H 1 2.433 0.006 . . . . . . B 139 GLN HB3 . 34446 1 1051 . 2 . 1 39 39 GLN HG2 H 1 2.428 0.006 . . . . . . B 139 GLN HG2 . 34446 1 1052 . 2 . 1 39 39 GLN HG3 H 1 2.564 0.008 . . . . . . B 139 GLN HG3 . 34446 1 1053 . 2 . 1 39 39 GLN HE21 H 1 7.639 0.004 . . . . . . B 139 GLN HE21 . 34446 1 1054 . 2 . 1 39 39 GLN HE22 H 1 6.901 0.002 . . . . . . B 139 GLN HE22 . 34446 1 1055 . 2 . 1 39 39 GLN C C 13 176.983 0.000 . . . . . . B 139 GLN C . 34446 1 1056 . 2 . 1 39 39 GLN CA C 13 59.505 0.072 . . . . . . B 139 GLN CA . 34446 1 1057 . 2 . 1 39 39 GLN CB C 13 28.537 0.018 . . . . . . B 139 GLN CB . 34446 1 1058 . 2 . 1 39 39 GLN CG C 13 34.306 0.026 . . . . . . B 139 GLN CG . 34446 1 1059 . 2 . 1 39 39 GLN N N 15 118.950 0.018 . . . . . . B 139 GLN N . 34446 1 1060 . 2 . 1 39 39 GLN NE2 N 15 111.487 0.018 . . . . . . B 139 GLN NE2 . 34446 1 1061 . 2 . 1 40 40 GLN H H 1 7.943 0.010 . . . . . . B 140 GLN H . 34446 1 1062 . 2 . 1 40 40 GLN HA H 1 4.084 0.008 . . . . . . B 140 GLN HA . 34446 1 1063 . 2 . 1 40 40 GLN HB2 H 1 2.104 0.005 . . . . . . B 140 GLN HB2 . 34446 1 1064 . 2 . 1 40 40 GLN HB3 H 1 2.203 0.005 . . . . . . B 140 GLN HB3 . 34446 1 1065 . 2 . 1 40 40 GLN HG2 H 1 2.397 0.010 . . . . . . B 140 GLN HG2 . 34446 1 1066 . 2 . 1 40 40 GLN HG3 H 1 2.614 0.005 . . . . . . B 140 GLN HG3 . 34446 1 1067 . 2 . 1 40 40 GLN HE21 H 1 7.460 0.002 . . . . . . B 140 GLN HE21 . 34446 1 1068 . 2 . 1 40 40 GLN HE22 H 1 6.767 0.009 . . . . . . B 140 GLN HE22 . 34446 1 1069 . 2 . 1 40 40 GLN C C 13 176.849 0.000 . . . . . . B 140 GLN C . 34446 1 1070 . 2 . 1 40 40 GLN CA C 13 58.636 0.083 . . . . . . B 140 GLN CA . 34446 1 1071 . 2 . 1 40 40 GLN CB C 13 28.467 0.020 . . . . . . B 140 GLN CB . 34446 1 1072 . 2 . 1 40 40 GLN CG C 13 34.389 0.037 . . . . . . B 140 GLN CG . 34446 1 1073 . 2 . 1 40 40 GLN N N 15 117.331 0.015 . . . . . . B 140 GLN N . 34446 1 1074 . 2 . 1 40 40 GLN NE2 N 15 110.581 0.013 . . . . . . B 140 GLN NE2 . 34446 1 1075 . 2 . 1 41 41 GLN H H 1 7.733 0.007 . . . . . . B 141 GLN H . 34446 1 1076 . 2 . 1 41 41 GLN HA H 1 4.077 0.004 . . . . . . B 141 GLN HA . 34446 1 1077 . 2 . 1 41 41 GLN HB2 H 1 2.113 0.002 . . . . . . B 141 GLN HB2 . 34446 1 1078 . 2 . 1 41 41 GLN HB3 H 1 2.241 0.004 . . . . . . B 141 GLN HB3 . 34446 1 1079 . 2 . 1 41 41 GLN HG2 H 1 2.220 0.007 . . . . . . B 141 GLN HG2 . 34446 1 1080 . 2 . 1 41 41 GLN HG3 H 1 2.502 0.004 . . . . . . B 141 GLN HG3 . 34446 1 1081 . 2 . 1 41 41 GLN HE21 H 1 7.563 0.004 . . . . . . B 141 GLN HE21 . 34446 1 1082 . 2 . 1 41 41 GLN HE22 H 1 6.799 0.002 . . . . . . B 141 GLN HE22 . 34446 1 1083 . 2 . 1 41 41 GLN C C 13 176.928 0.000 . . . . . . B 141 GLN C . 34446 1 1084 . 2 . 1 41 41 GLN CA C 13 58.268 0.062 . . . . . . B 141 GLN CA . 34446 1 1085 . 2 . 1 41 41 GLN CB C 13 28.823 0.055 . . . . . . B 141 GLN CB . 34446 1 1086 . 2 . 1 41 41 GLN CG C 13 34.003 0.028 . . . . . . B 141 GLN CG . 34446 1 1087 . 2 . 1 41 41 GLN N N 15 119.268 0.011 . . . . . . B 141 GLN N . 34446 1 1088 . 2 . 1 41 41 GLN NE2 N 15 111.604 0.016 . . . . . . B 141 GLN NE2 . 34446 1 1089 . 2 . 1 42 42 LEU H H 1 7.890 0.008 . . . . . . B 142 LEU H . 34446 1 1090 . 2 . 1 42 42 LEU HA H 1 4.045 0.003 . . . . . . B 142 LEU HA . 34446 1 1091 . 2 . 1 42 42 LEU HB2 H 1 1.316 0.007 . . . . . . B 142 LEU HB2 . 34446 1 1092 . 2 . 1 42 42 LEU HB3 H 1 1.562 0.007 . . . . . . B 142 LEU HB3 . 34446 1 1093 . 2 . 1 42 42 LEU HG H 1 1.428 0.008 . . . . . . B 142 LEU HG . 34446 1 1094 . 2 . 1 42 42 LEU HD11 H 1 0.498 0.003 . . . . . . B 142 LEU HD11 . 34446 1 1095 . 2 . 1 42 42 LEU HD12 H 1 0.498 0.003 . . . . . . B 142 LEU HD12 . 34446 1 1096 . 2 . 1 42 42 LEU HD13 H 1 0.498 0.003 . . . . . . B 142 LEU HD13 . 34446 1 1097 . 2 . 1 42 42 LEU HD21 H 1 0.063 0.003 . . . . . . B 142 LEU HD21 . 34446 1 1098 . 2 . 1 42 42 LEU HD22 H 1 0.063 0.003 . . . . . . B 142 LEU HD22 . 34446 1 1099 . 2 . 1 42 42 LEU HD23 H 1 0.063 0.003 . . . . . . B 142 LEU HD23 . 34446 1 1100 . 2 . 1 42 42 LEU C C 13 177.349 0.000 . . . . . . B 142 LEU C . 34446 1 1101 . 2 . 1 42 42 LEU CA C 13 56.398 0.052 . . . . . . B 142 LEU CA . 34446 1 1102 . 2 . 1 42 42 LEU CB C 13 42.133 0.033 . . . . . . B 142 LEU CB . 34446 1 1103 . 2 . 1 42 42 LEU CG C 13 26.380 0.047 . . . . . . B 142 LEU CG . 34446 1 1104 . 2 . 1 42 42 LEU CD1 C 13 22.660 0.065 . . . . . . B 142 LEU CD1 . 34446 1 1105 . 2 . 1 42 42 LEU CD2 C 13 24.525 0.047 . . . . . . B 142 LEU CD2 . 34446 1 1106 . 2 . 1 42 42 LEU N N 15 119.599 0.019 . . . . . . B 142 LEU N . 34446 1 1107 . 2 . 1 43 43 GLU H H 1 7.919 0.005 . . . . . . B 143 GLU H . 34446 1 1108 . 2 . 1 43 43 GLU HA H 1 4.175 0.008 . . . . . . B 143 GLU HA . 34446 1 1109 . 2 . 1 43 43 GLU HB2 H 1 2.033 0.003 . . . . . . B 143 GLU HB2 . 34446 1 1110 . 2 . 1 43 43 GLU HB3 H 1 2.070 0.005 . . . . . . B 143 GLU HB3 . 34446 1 1111 . 2 . 1 43 43 GLU HG2 H 1 2.257 0.003 . . . . . . B 143 GLU HG2 . 34446 1 1112 . 2 . 1 43 43 GLU HG3 H 1 2.413 0.003 . . . . . . B 143 GLU HG3 . 34446 1 1113 . 2 . 1 43 43 GLU C C 13 175.535 0.000 . . . . . . B 143 GLU C . 34446 1 1114 . 2 . 1 43 43 GLU CA C 13 57.176 0.066 . . . . . . B 143 GLU CA . 34446 1 1115 . 2 . 1 43 43 GLU CB C 13 29.921 0.024 . . . . . . B 143 GLU CB . 34446 1 1116 . 2 . 1 43 43 GLU CG C 13 36.595 0.028 . . . . . . B 143 GLU CG . 34446 1 1117 . 2 . 1 43 43 GLU N N 15 118.654 0.005 . . . . . . B 143 GLU N . 34446 1 1118 . 2 . 1 44 44 GLN H H 1 7.855 0.009 . . . . . . B 144 GLN H . 34446 1 1119 . 2 . 1 44 44 GLN HA H 1 4.303 0.003 . . . . . . B 144 GLN HA . 34446 1 1120 . 2 . 1 44 44 GLN HB2 H 1 2.042 0.003 . . . . . . B 144 GLN HB2 . 34446 1 1121 . 2 . 1 44 44 GLN HB3 H 1 2.180 0.006 . . . . . . B 144 GLN HB3 . 34446 1 1122 . 2 . 1 44 44 GLN HG2 H 1 2.415 0.002 . . . . . . B 144 GLN HG2 . 34446 1 1123 . 2 . 1 44 44 GLN HG3 H 1 2.415 0.002 . . . . . . B 144 GLN HG3 . 34446 1 1124 . 2 . 1 44 44 GLN HE21 H 1 7.550 0.001 . . . . . . B 144 GLN HE21 . 34446 1 1125 . 2 . 1 44 44 GLN HE22 H 1 6.840 0.000 . . . . . . B 144 GLN HE22 . 34446 1 1126 . 2 . 1 44 44 GLN C C 13 174.476 0.000 . . . . . . B 144 GLN C . 34446 1 1127 . 2 . 1 44 44 GLN CA C 13 56.170 0.046 . . . . . . B 144 GLN CA . 34446 1 1128 . 2 . 1 44 44 GLN CB C 13 29.450 0.038 . . . . . . B 144 GLN CB . 34446 1 1129 . 2 . 1 44 44 GLN CG C 13 33.961 0.028 . . . . . . B 144 GLN CG . 34446 1 1130 . 2 . 1 44 44 GLN N N 15 119.378 0.062 . . . . . . B 144 GLN N . 34446 1 1131 . 2 . 1 44 44 GLN NE2 N 15 112.330 0.002 . . . . . . B 144 GLN NE2 . 34446 1 1132 . 2 . 1 45 45 GLY H H 1 7.893 0.001 . . . . . . B 145 GLY H . 34446 1 1133 . 2 . 1 45 45 GLY HA2 H 1 3.746 0.002 . . . . . . B 145 GLY HA2 . 34446 1 1134 . 2 . 1 45 45 GLY HA3 H 1 3.746 0.002 . . . . . . B 145 GLY HA3 . 34446 1 1135 . 2 . 1 45 45 GLY CA C 13 46.341 0.095 . . . . . . B 145 GLY CA . 34446 1 1136 . 2 . 1 45 45 GLY N N 15 115.415 0.010 . . . . . . B 145 GLY N . 34446 1 stop_ save_