data_34447 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34447 _Entry.Title ; Bam_5920cDD 5919nDD docking domains ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-08 _Entry.Accession_date 2019-11-08 _Entry.Last_release_date 2020-07-14 _Entry.Original_release_date 2020-07-14 _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 NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 F. Risser F. . . . 34447 2 B. Chagot B. . . . 34447 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PROTEIN BINDING' . 34447 'docking domain' . 34447 'polyketide synthase' . 34447 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34447 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 504 34447 '15N chemical shifts' 144 34447 '1H chemical shifts' 868 34447 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' 34447 1 . . 2020-08-06 2019-11-08 original author 'original release' 34447 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6TDM 'BMRB Entry Tracking System' 34447 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34447 _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. . . . 34447 1 2 S. Collin S. . . . 34447 1 3 R. 'Dos Santos-Morais' R. . . . 34447 1 4 A. Gruez A. . . . 34447 1 5 B. Chagot B. . . . 34447 1 6 K. Weissman K. J. . . 34447 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34447 _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 unit_1 1 $entity_1 A A yes . . . . . . 34447 1 2 unit_2 1 $entity_1 B B yes . . . . . . 34447 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34447 _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 ; GPGSYDAALPIDELSALLRQ EMGDDGGGSGGGSMQDIQQL LAKSLTEIKRLKAANQALEQ ARRE ; _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 64 _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 6734.480 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 34447 1 2 . PRO . 34447 1 3 . GLY . 34447 1 4 . SER . 34447 1 5 . TYR . 34447 1 6 . ASP . 34447 1 7 . ALA . 34447 1 8 . ALA . 34447 1 9 . LEU . 34447 1 10 . PRO . 34447 1 11 . ILE . 34447 1 12 . ASP . 34447 1 13 . GLU . 34447 1 14 . LEU . 34447 1 15 . SER . 34447 1 16 . ALA . 34447 1 17 . LEU . 34447 1 18 . LEU . 34447 1 19 . ARG . 34447 1 20 . GLN . 34447 1 21 . GLU . 34447 1 22 . MET . 34447 1 23 . GLY . 34447 1 24 . ASP . 34447 1 25 . ASP . 34447 1 26 . GLY . 34447 1 27 . GLY . 34447 1 28 . GLY . 34447 1 29 . SER . 34447 1 30 . GLY . 34447 1 31 . GLY . 34447 1 32 . GLY . 34447 1 33 . SER . 34447 1 34 . MET . 34447 1 35 . GLN . 34447 1 36 . ASP . 34447 1 37 . ILE . 34447 1 38 . GLN . 34447 1 39 . GLN . 34447 1 40 . LEU . 34447 1 41 . LEU . 34447 1 42 . ALA . 34447 1 43 . LYS . 34447 1 44 . SER . 34447 1 45 . LEU . 34447 1 46 . THR . 34447 1 47 . GLU . 34447 1 48 . ILE . 34447 1 49 . LYS . 34447 1 50 . ARG . 34447 1 51 . LEU . 34447 1 52 . LYS . 34447 1 53 . ALA . 34447 1 54 . ALA . 34447 1 55 . ASN . 34447 1 56 . GLN . 34447 1 57 . ALA . 34447 1 58 . LEU . 34447 1 59 . GLU . 34447 1 60 . GLN . 34447 1 61 . ALA . 34447 1 62 . ARG . 34447 1 63 . ARG . 34447 1 64 . GLU . 34447 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 34447 1 . PRO 2 2 34447 1 . GLY 3 3 34447 1 . SER 4 4 34447 1 . TYR 5 5 34447 1 . ASP 6 6 34447 1 . ALA 7 7 34447 1 . ALA 8 8 34447 1 . LEU 9 9 34447 1 . PRO 10 10 34447 1 . ILE 11 11 34447 1 . ASP 12 12 34447 1 . GLU 13 13 34447 1 . LEU 14 14 34447 1 . SER 15 15 34447 1 . ALA 16 16 34447 1 . LEU 17 17 34447 1 . LEU 18 18 34447 1 . ARG 19 19 34447 1 . GLN 20 20 34447 1 . GLU 21 21 34447 1 . MET 22 22 34447 1 . GLY 23 23 34447 1 . ASP 24 24 34447 1 . ASP 25 25 34447 1 . GLY 26 26 34447 1 . GLY 27 27 34447 1 . GLY 28 28 34447 1 . SER 29 29 34447 1 . GLY 30 30 34447 1 . GLY 31 31 34447 1 . GLY 32 32 34447 1 . SER 33 33 34447 1 . MET 34 34 34447 1 . GLN 35 35 34447 1 . ASP 36 36 34447 1 . ILE 37 37 34447 1 . GLN 38 38 34447 1 . GLN 39 39 34447 1 . LEU 40 40 34447 1 . LEU 41 41 34447 1 . ALA 42 42 34447 1 . LYS 43 43 34447 1 . SER 44 44 34447 1 . LEU 45 45 34447 1 . THR 46 46 34447 1 . GLU 47 47 34447 1 . ILE 48 48 34447 1 . LYS 49 49 34447 1 . ARG 50 50 34447 1 . LEU 51 51 34447 1 . LYS 52 52 34447 1 . ALA 53 53 34447 1 . ALA 54 54 34447 1 . ASN 55 55 34447 1 . GLN 56 56 34447 1 . ALA 57 57 34447 1 . LEU 58 58 34447 1 . GLU 59 59 34447 1 . GLN 60 60 34447 1 . ALA 61 61 34447 1 . ARG 62 62 34447 1 . ARG 63 63 34447 1 . GLU 64 64 34447 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 34447 _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' . . Bacteria . Burkholderia ambifaria . . . . . . . . . . . 'Bamb_5920 Bamb_5919' . 34447 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 34447 _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 . . . 34447 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34447 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 13C; U-100% 15N] protein, 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 protein '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34447 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 34447 _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' 100 . mM 34447 1 pH 6.5 . pH 34447 1 pressure 1 . atm 34447 1 temperature 298 . K 34447 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34447 _Software.ID 1 _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' . . 34447 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34447 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34447 _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' . . 34447 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34447 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34447 _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 . . 34447 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34447 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34447 _Software.ID 4 _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' . . 34447 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34447 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 34447 _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 34447 _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 . . . 34447 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 34447 _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 . . . . . . . . . . . . . . . . . 34447 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34447 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34447 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34447 1 5 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34447 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34447 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34447 1 8 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34447 1 9 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34447 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34447 1 11 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34447 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 34447 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34447 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34447 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34447 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 34447 _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' . . . 34447 1 2 '2D 1H-13C HSQC aliphatic' . . . 34447 1 3 '3D HNCO' . . . 34447 1 4 '3D CBCA(CO)NH' . . . 34447 1 5 '3D 1H-13C NOESY aromatic' . . . 34447 1 6 '3D 1H-13C NOESY aliphatic' . . . 34447 1 7 '3D 1H-15N NOESY' . . . 34447 1 8 '3D C(CO)NH' . . . 34447 1 9 '3D H(CCO)NH' . . . 34447 1 10 '3D HCCH-TOCSY' . . . 34447 1 11 '3D HNCACB' . . . 34447 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 3.974 0.000 . . . . . . A 1 GLY HA2 . 34447 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.974 0.000 . . . . . . A 1 GLY HA3 . 34447 1 3 . 1 . 1 1 1 GLY CA C 13 43.394 0.000 . . . . . . A 1 GLY CA . 34447 1 4 . 1 . 1 2 2 PRO HA H 1 4.461 0.001 . . . . . . A 2 PRO HA . 34447 1 5 . 1 . 1 2 2 PRO HB2 H 1 2.302 0.001 . . . . . . A 2 PRO HB2 . 34447 1 6 . 1 . 1 2 2 PRO HB3 H 1 1.980 0.004 . . . . . . A 2 PRO HB3 . 34447 1 7 . 1 . 1 2 2 PRO HG2 H 1 2.024 0.001 . . . . . . A 2 PRO HG2 . 34447 1 8 . 1 . 1 2 2 PRO HG3 H 1 2.024 0.001 . . . . . . A 2 PRO HG3 . 34447 1 9 . 1 . 1 2 2 PRO HD2 H 1 3.579 0.002 . . . . . . A 2 PRO HD2 . 34447 1 10 . 1 . 1 2 2 PRO HD3 H 1 3.579 0.002 . . . . . . A 2 PRO HD3 . 34447 1 11 . 1 . 1 2 2 PRO CA C 13 63.426 0.040 . . . . . . A 2 PRO CA . 34447 1 12 . 1 . 1 2 2 PRO CB C 13 32.179 0.056 . . . . . . A 2 PRO CB . 34447 1 13 . 1 . 1 2 2 PRO CG C 13 27.111 0.028 . . . . . . A 2 PRO CG . 34447 1 14 . 1 . 1 2 2 PRO CD C 13 49.665 0.028 . . . . . . A 2 PRO CD . 34447 1 15 . 1 . 1 3 3 GLY H H 1 8.637 0.000 . . . . . . A 3 GLY H . 34447 1 16 . 1 . 1 3 3 GLY HA2 H 1 3.950 0.000 . . . . . . A 3 GLY HA2 . 34447 1 17 . 1 . 1 3 3 GLY HA3 H 1 3.950 0.000 . . . . . . A 3 GLY HA3 . 34447 1 18 . 1 . 1 3 3 GLY C C 13 174.050 0.000 . . . . . . A 3 GLY C . 34447 1 19 . 1 . 1 3 3 GLY CA C 13 45.242 0.000 . . . . . . A 3 GLY CA . 34447 1 20 . 1 . 1 3 3 GLY N N 15 110.094 0.000 . . . . . . A 3 GLY N . 34447 1 21 . 1 . 1 4 4 SER H H 1 8.051 0.000 . . . . . . A 4 SER H . 34447 1 22 . 1 . 1 4 4 SER HA H 1 4.406 0.002 . . . . . . A 4 SER HA . 34447 1 23 . 1 . 1 4 4 SER HB2 H 1 3.772 0.002 . . . . . . A 4 SER HB2 . 34447 1 24 . 1 . 1 4 4 SER HB3 H 1 3.772 0.002 . . . . . . A 4 SER HB3 . 34447 1 25 . 1 . 1 4 4 SER C C 13 174.047 0.000 . . . . . . A 4 SER C . 34447 1 26 . 1 . 1 4 4 SER CA C 13 58.232 0.027 . . . . . . A 4 SER CA . 34447 1 27 . 1 . 1 4 4 SER CB C 13 63.859 0.048 . . . . . . A 4 SER CB . 34447 1 28 . 1 . 1 4 4 SER N N 15 115.424 0.000 . . . . . . A 4 SER N . 34447 1 29 . 1 . 1 5 5 TYR H H 1 8.225 0.000 . . . . . . A 5 TYR H . 34447 1 30 . 1 . 1 5 5 TYR HA H 1 4.562 0.001 . . . . . . A 5 TYR HA . 34447 1 31 . 1 . 1 5 5 TYR HB2 H 1 3.030 0.004 . . . . . . A 5 TYR HB2 . 34447 1 32 . 1 . 1 5 5 TYR HB3 H 1 2.895 0.002 . . . . . . A 5 TYR HB3 . 34447 1 33 . 1 . 1 5 5 TYR HD1 H 1 7.071 0.002 . . . . . . A 5 TYR HD1 . 34447 1 34 . 1 . 1 5 5 TYR HD2 H 1 7.071 0.002 . . . . . . A 5 TYR HD2 . 34447 1 35 . 1 . 1 5 5 TYR HE1 H 1 6.785 0.002 . . . . . . A 5 TYR HE1 . 34447 1 36 . 1 . 1 5 5 TYR HE2 H 1 6.785 0.002 . . . . . . A 5 TYR HE2 . 34447 1 37 . 1 . 1 5 5 TYR C C 13 175.271 0.000 . . . . . . A 5 TYR C . 34447 1 38 . 1 . 1 5 5 TYR CA C 13 57.806 0.054 . . . . . . A 5 TYR CA . 34447 1 39 . 1 . 1 5 5 TYR CB C 13 38.760 0.051 . . . . . . A 5 TYR CB . 34447 1 40 . 1 . 1 5 5 TYR CD1 C 13 133.275 0.000 . . . . . . A 5 TYR CD1 . 34447 1 41 . 1 . 1 5 5 TYR CE1 C 13 118.160 0.000 . . . . . . A 5 TYR CE1 . 34447 1 42 . 1 . 1 5 5 TYR N N 15 121.906 0.000 . . . . . . A 5 TYR N . 34447 1 43 . 1 . 1 6 6 ASP H H 1 8.134 0.000 . . . . . . A 6 ASP H . 34447 1 44 . 1 . 1 6 6 ASP HA H 1 4.471 0.003 . . . . . . A 6 ASP HA . 34447 1 45 . 1 . 1 6 6 ASP HB2 H 1 2.630 0.004 . . . . . . A 6 ASP HB2 . 34447 1 46 . 1 . 1 6 6 ASP HB3 H 1 2.552 0.003 . . . . . . A 6 ASP HB3 . 34447 1 47 . 1 . 1 6 6 ASP C C 13 175.704 0.000 . . . . . . A 6 ASP C . 34447 1 48 . 1 . 1 6 6 ASP CA C 13 54.371 0.064 . . . . . . A 6 ASP CA . 34447 1 49 . 1 . 1 6 6 ASP CB C 13 41.293 0.024 . . . . . . A 6 ASP CB . 34447 1 50 . 1 . 1 6 6 ASP N N 15 122.208 0.000 . . . . . . A 6 ASP N . 34447 1 51 . 1 . 1 7 7 ALA H H 1 8.018 0.000 . . . . . . A 7 ALA H . 34447 1 52 . 1 . 1 7 7 ALA HA H 1 4.161 0.002 . . . . . . A 7 ALA HA . 34447 1 53 . 1 . 1 7 7 ALA HB1 H 1 1.352 0.001 . . . . . . A 7 ALA HB1 . 34447 1 54 . 1 . 1 7 7 ALA HB2 H 1 1.352 0.001 . . . . . . A 7 ALA HB2 . 34447 1 55 . 1 . 1 7 7 ALA HB3 H 1 1.352 0.001 . . . . . . A 7 ALA HB3 . 34447 1 56 . 1 . 1 7 7 ALA C C 13 176.931 0.000 . . . . . . A 7 ALA C . 34447 1 57 . 1 . 1 7 7 ALA CA C 13 52.662 0.060 . . . . . . A 7 ALA CA . 34447 1 58 . 1 . 1 7 7 ALA CB C 13 19.019 0.053 . . . . . . A 7 ALA CB . 34447 1 59 . 1 . 1 7 7 ALA N N 15 123.250 0.000 . . . . . . A 7 ALA N . 34447 1 60 . 1 . 1 8 8 ALA H H 1 8.097 0.000 . . . . . . A 8 ALA H . 34447 1 61 . 1 . 1 8 8 ALA HA H 1 4.306 0.002 . . . . . . A 8 ALA HA . 34447 1 62 . 1 . 1 8 8 ALA HB1 H 1 1.330 0.002 . . . . . . A 8 ALA HB1 . 34447 1 63 . 1 . 1 8 8 ALA HB2 H 1 1.330 0.002 . . . . . . A 8 ALA HB2 . 34447 1 64 . 1 . 1 8 8 ALA HB3 H 1 1.330 0.002 . . . . . . A 8 ALA HB3 . 34447 1 65 . 1 . 1 8 8 ALA C C 13 177.662 0.000 . . . . . . A 8 ALA C . 34447 1 66 . 1 . 1 8 8 ALA CA C 13 51.910 0.031 . . . . . . A 8 ALA CA . 34447 1 67 . 1 . 1 8 8 ALA CB C 13 19.175 0.034 . . . . . . A 8 ALA CB . 34447 1 68 . 1 . 1 8 8 ALA N N 15 121.483 0.000 . . . . . . A 8 ALA N . 34447 1 69 . 1 . 1 9 9 LEU H H 1 7.795 0.000 . . . . . . A 9 LEU H . 34447 1 70 . 1 . 1 9 9 LEU HA H 1 4.498 0.004 . . . . . . A 9 LEU HA . 34447 1 71 . 1 . 1 9 9 LEU HB2 H 1 1.622 0.001 . . . . . . A 9 LEU HB2 . 34447 1 72 . 1 . 1 9 9 LEU HB3 H 1 1.397 0.003 . . . . . . A 9 LEU HB3 . 34447 1 73 . 1 . 1 9 9 LEU HG H 1 1.732 0.003 . . . . . . A 9 LEU HG . 34447 1 74 . 1 . 1 9 9 LEU HD11 H 1 0.886 0.003 . . . . . . A 9 LEU HD11 . 34447 1 75 . 1 . 1 9 9 LEU HD12 H 1 0.886 0.003 . . . . . . A 9 LEU HD12 . 34447 1 76 . 1 . 1 9 9 LEU HD13 H 1 0.886 0.003 . . . . . . A 9 LEU HD13 . 34447 1 77 . 1 . 1 9 9 LEU HD21 H 1 0.899 0.002 . . . . . . A 9 LEU HD21 . 34447 1 78 . 1 . 1 9 9 LEU HD22 H 1 0.899 0.002 . . . . . . A 9 LEU HD22 . 34447 1 79 . 1 . 1 9 9 LEU HD23 H 1 0.899 0.002 . . . . . . A 9 LEU HD23 . 34447 1 80 . 1 . 1 9 9 LEU C C 13 182.382 0.000 . . . . . . A 9 LEU C . 34447 1 81 . 1 . 1 9 9 LEU CA C 13 53.353 0.052 . . . . . . A 9 LEU CA . 34447 1 82 . 1 . 1 9 9 LEU CB C 13 42.333 0.024 . . . . . . A 9 LEU CB . 34447 1 83 . 1 . 1 9 9 LEU CG C 13 27.039 0.074 . . . . . . A 9 LEU CG . 34447 1 84 . 1 . 1 9 9 LEU CD1 C 13 23.350 0.040 . . . . . . A 9 LEU CD1 . 34447 1 85 . 1 . 1 9 9 LEU CD2 C 13 25.571 0.077 . . . . . . A 9 LEU CD2 . 34447 1 86 . 1 . 1 9 9 LEU N N 15 122.612 0.000 . . . . . . A 9 LEU N . 34447 1 87 . 1 . 1 10 10 PRO HA H 1 4.512 0.002 . . . . . . A 10 PRO HA . 34447 1 88 . 1 . 1 10 10 PRO HB2 H 1 2.423 0.003 . . . . . . A 10 PRO HB2 . 34447 1 89 . 1 . 1 10 10 PRO HB3 H 1 2.086 0.003 . . . . . . A 10 PRO HB3 . 34447 1 90 . 1 . 1 10 10 PRO HG2 H 1 2.086 0.002 . . . . . . A 10 PRO HG2 . 34447 1 91 . 1 . 1 10 10 PRO HG3 H 1 2.086 0.002 . . . . . . A 10 PRO HG3 . 34447 1 92 . 1 . 1 10 10 PRO HD2 H 1 3.613 0.003 . . . . . . A 10 PRO HD2 . 34447 1 93 . 1 . 1 10 10 PRO HD3 H 1 3.872 0.002 . . . . . . A 10 PRO HD3 . 34447 1 94 . 1 . 1 10 10 PRO CA C 13 62.565 0.038 . . . . . . A 10 PRO CA . 34447 1 95 . 1 . 1 10 10 PRO CB C 13 32.617 0.047 . . . . . . A 10 PRO CB . 34447 1 96 . 1 . 1 10 10 PRO CG C 13 28.091 0.067 . . . . . . A 10 PRO CG . 34447 1 97 . 1 . 1 10 10 PRO CD C 13 50.447 0.035 . . . . . . A 10 PRO CD . 34447 1 98 . 1 . 1 11 11 ILE H H 1 8.712 0.000 . . . . . . A 11 ILE H . 34447 1 99 . 1 . 1 11 11 ILE HA H 1 3.703 0.006 . . . . . . A 11 ILE HA . 34447 1 100 . 1 . 1 11 11 ILE HB H 1 1.860 0.002 . . . . . . A 11 ILE HB . 34447 1 101 . 1 . 1 11 11 ILE HG12 H 1 1.624 0.003 . . . . . . A 11 ILE HG12 . 34447 1 102 . 1 . 1 11 11 ILE HG13 H 1 1.079 0.002 . . . . . . A 11 ILE HG13 . 34447 1 103 . 1 . 1 11 11 ILE HG21 H 1 0.864 0.001 . . . . . . A 11 ILE HG21 . 34447 1 104 . 1 . 1 11 11 ILE HG22 H 1 0.864 0.001 . . . . . . A 11 ILE HG22 . 34447 1 105 . 1 . 1 11 11 ILE HG23 H 1 0.864 0.001 . . . . . . A 11 ILE HG23 . 34447 1 106 . 1 . 1 11 11 ILE HD11 H 1 0.918 0.002 . . . . . . A 11 ILE HD11 . 34447 1 107 . 1 . 1 11 11 ILE HD12 H 1 0.918 0.002 . . . . . . A 11 ILE HD12 . 34447 1 108 . 1 . 1 11 11 ILE HD13 H 1 0.918 0.002 . . . . . . A 11 ILE HD13 . 34447 1 109 . 1 . 1 11 11 ILE C C 13 177.472 0.000 . . . . . . A 11 ILE C . 34447 1 110 . 1 . 1 11 11 ILE CA C 13 65.179 0.049 . . . . . . A 11 ILE CA . 34447 1 111 . 1 . 1 11 11 ILE CB C 13 38.001 0.061 . . . . . . A 11 ILE CB . 34447 1 112 . 1 . 1 11 11 ILE CG1 C 13 29.937 0.027 . . . . . . A 11 ILE CG1 . 34447 1 113 . 1 . 1 11 11 ILE CG2 C 13 17.002 0.049 . . . . . . A 11 ILE CG2 . 34447 1 114 . 1 . 1 11 11 ILE CD1 C 13 13.610 0.036 . . . . . . A 11 ILE CD1 . 34447 1 115 . 1 . 1 11 11 ILE N N 15 120.751 0.000 . . . . . . A 11 ILE N . 34447 1 116 . 1 . 1 12 12 ASP H H 1 8.874 0.004 . . . . . . A 12 ASP H . 34447 1 117 . 1 . 1 12 12 ASP HA H 1 4.316 0.002 . . . . . . A 12 ASP HA . 34447 1 118 . 1 . 1 12 12 ASP HB2 H 1 2.696 0.003 . . . . . . A 12 ASP HB2 . 34447 1 119 . 1 . 1 12 12 ASP HB3 H 1 2.631 0.003 . . . . . . A 12 ASP HB3 . 34447 1 120 . 1 . 1 12 12 ASP C C 13 178.602 0.000 . . . . . . A 12 ASP C . 34447 1 121 . 1 . 1 12 12 ASP CA C 13 57.321 0.033 . . . . . . A 12 ASP CA . 34447 1 122 . 1 . 1 12 12 ASP CB C 13 39.503 0.046 . . . . . . A 12 ASP CB . 34447 1 123 . 1 . 1 12 12 ASP N N 15 120.516 0.006 . . . . . . A 12 ASP N . 34447 1 124 . 1 . 1 13 13 GLU H H 1 7.450 0.000 . . . . . . A 13 GLU H . 34447 1 125 . 1 . 1 13 13 GLU HA H 1 4.198 0.002 . . . . . . A 13 GLU HA . 34447 1 126 . 1 . 1 13 13 GLU HB2 H 1 2.010 0.007 . . . . . . A 13 GLU HB2 . 34447 1 127 . 1 . 1 13 13 GLU HB3 H 1 2.068 0.002 . . . . . . A 13 GLU HB3 . 34447 1 128 . 1 . 1 13 13 GLU HG2 H 1 2.297 0.002 . . . . . . A 13 GLU HG2 . 34447 1 129 . 1 . 1 13 13 GLU HG3 H 1 2.240 0.002 . . . . . . A 13 GLU HG3 . 34447 1 130 . 1 . 1 13 13 GLU C C 13 178.803 0.000 . . . . . . A 13 GLU C . 34447 1 131 . 1 . 1 13 13 GLU CA C 13 59.059 0.033 . . . . . . A 13 GLU CA . 34447 1 132 . 1 . 1 13 13 GLU CB C 13 30.013 0.036 . . . . . . A 13 GLU CB . 34447 1 133 . 1 . 1 13 13 GLU CG C 13 36.288 0.056 . . . . . . A 13 GLU CG . 34447 1 134 . 1 . 1 13 13 GLU N N 15 121.987 0.000 . . . . . . A 13 GLU N . 34447 1 135 . 1 . 1 14 14 LEU H H 1 8.271 0.000 . . . . . . A 14 LEU H . 34447 1 136 . 1 . 1 14 14 LEU HA H 1 3.960 0.001 . . . . . . A 14 LEU HA . 34447 1 137 . 1 . 1 14 14 LEU HB2 H 1 1.817 0.000 . . . . . . A 14 LEU HB2 . 34447 1 138 . 1 . 1 14 14 LEU HB3 H 1 1.363 0.000 . . . . . . A 14 LEU HB3 . 34447 1 139 . 1 . 1 14 14 LEU HG H 1 1.591 0.002 . . . . . . A 14 LEU HG . 34447 1 140 . 1 . 1 14 14 LEU HD11 H 1 0.886 0.001 . . . . . . A 14 LEU HD11 . 34447 1 141 . 1 . 1 14 14 LEU HD12 H 1 0.886 0.001 . . . . . . A 14 LEU HD12 . 34447 1 142 . 1 . 1 14 14 LEU HD13 H 1 0.886 0.001 . . . . . . A 14 LEU HD13 . 34447 1 143 . 1 . 1 14 14 LEU HD21 H 1 0.976 0.001 . . . . . . A 14 LEU HD21 . 34447 1 144 . 1 . 1 14 14 LEU HD22 H 1 0.976 0.001 . . . . . . A 14 LEU HD22 . 34447 1 145 . 1 . 1 14 14 LEU HD23 H 1 0.976 0.001 . . . . . . A 14 LEU HD23 . 34447 1 146 . 1 . 1 14 14 LEU C C 13 178.757 0.000 . . . . . . A 14 LEU C . 34447 1 147 . 1 . 1 14 14 LEU CA C 13 58.155 0.020 . . . . . . A 14 LEU CA . 34447 1 148 . 1 . 1 14 14 LEU CB C 13 43.323 0.042 . . . . . . A 14 LEU CB . 34447 1 149 . 1 . 1 14 14 LEU CG C 13 27.145 0.011 . . . . . . A 14 LEU CG . 34447 1 150 . 1 . 1 14 14 LEU CD1 C 13 24.534 0.038 . . . . . . A 14 LEU CD1 . 34447 1 151 . 1 . 1 14 14 LEU CD2 C 13 26.307 0.031 . . . . . . A 14 LEU CD2 . 34447 1 152 . 1 . 1 14 14 LEU N N 15 120.036 0.003 . . . . . . A 14 LEU N . 34447 1 153 . 1 . 1 15 15 SER H H 1 8.593 0.000 . . . . . . A 15 SER H . 34447 1 154 . 1 . 1 15 15 SER HA H 1 4.027 0.001 . . . . . . A 15 SER HA . 34447 1 155 . 1 . 1 15 15 SER HB2 H 1 3.956 0.002 . . . . . . A 15 SER HB2 . 34447 1 156 . 1 . 1 15 15 SER HB3 H 1 3.792 0.002 . . . . . . A 15 SER HB3 . 34447 1 157 . 1 . 1 15 15 SER C C 13 178.766 0.000 . . . . . . A 15 SER C . 34447 1 158 . 1 . 1 15 15 SER CA C 13 62.164 0.029 . . . . . . A 15 SER CA . 34447 1 159 . 1 . 1 15 15 SER CB C 13 62.538 0.023 . . . . . . A 15 SER CB . 34447 1 160 . 1 . 1 15 15 SER N N 15 113.209 0.000 . . . . . . A 15 SER N . 34447 1 161 . 1 . 1 16 16 ALA H H 1 7.353 0.000 . . . . . . A 16 ALA H . 34447 1 162 . 1 . 1 16 16 ALA HA H 1 4.092 0.002 . . . . . . A 16 ALA HA . 34447 1 163 . 1 . 1 16 16 ALA HB1 H 1 1.515 0.002 . . . . . . A 16 ALA HB1 . 34447 1 164 . 1 . 1 16 16 ALA HB2 H 1 1.515 0.002 . . . . . . A 16 ALA HB2 . 34447 1 165 . 1 . 1 16 16 ALA HB3 H 1 1.515 0.002 . . . . . . A 16 ALA HB3 . 34447 1 166 . 1 . 1 16 16 ALA C C 13 180.632 0.000 . . . . . . A 16 ALA C . 34447 1 167 . 1 . 1 16 16 ALA CA C 13 55.377 0.031 . . . . . . A 16 ALA CA . 34447 1 168 . 1 . 1 16 16 ALA CB C 13 18.002 0.046 . . . . . . A 16 ALA CB . 34447 1 169 . 1 . 1 16 16 ALA N N 15 123.175 0.000 . . . . . . A 16 ALA N . 34447 1 170 . 1 . 1 17 17 LEU H H 1 8.069 0.000 . . . . . . A 17 LEU H . 34447 1 171 . 1 . 1 17 17 LEU HA H 1 4.060 0.004 . . . . . . A 17 LEU HA . 34447 1 172 . 1 . 1 17 17 LEU HB2 H 1 1.968 0.000 . . . . . . A 17 LEU HB2 . 34447 1 173 . 1 . 1 17 17 LEU HB3 H 1 1.450 0.000 . . . . . . A 17 LEU HB3 . 34447 1 174 . 1 . 1 17 17 LEU HG H 1 1.887 0.000 . . . . . . A 17 LEU HG . 34447 1 175 . 1 . 1 17 17 LEU HD11 H 1 0.871 0.000 . . . . . . A 17 LEU HD11 . 34447 1 176 . 1 . 1 17 17 LEU HD12 H 1 0.871 0.000 . . . . . . A 17 LEU HD12 . 34447 1 177 . 1 . 1 17 17 LEU HD13 H 1 0.871 0.000 . . . . . . A 17 LEU HD13 . 34447 1 178 . 1 . 1 17 17 LEU HD21 H 1 0.846 0.001 . . . . . . A 17 LEU HD21 . 34447 1 179 . 1 . 1 17 17 LEU HD22 H 1 0.846 0.001 . . . . . . A 17 LEU HD22 . 34447 1 180 . 1 . 1 17 17 LEU HD23 H 1 0.846 0.001 . . . . . . A 17 LEU HD23 . 34447 1 181 . 1 . 1 17 17 LEU C C 13 180.321 0.000 . . . . . . A 17 LEU C . 34447 1 182 . 1 . 1 17 17 LEU CA C 13 57.879 0.057 . . . . . . A 17 LEU CA . 34447 1 183 . 1 . 1 17 17 LEU CB C 13 42.396 0.086 . . . . . . A 17 LEU CB . 34447 1 184 . 1 . 1 17 17 LEU CG C 13 26.732 0.000 . . . . . . A 17 LEU CG . 34447 1 185 . 1 . 1 17 17 LEU CD1 C 13 22.456 0.017 . . . . . . A 17 LEU CD1 . 34447 1 186 . 1 . 1 17 17 LEU CD2 C 13 25.771 0.010 . . . . . . A 17 LEU CD2 . 34447 1 187 . 1 . 1 17 17 LEU N N 15 119.068 0.000 . . . . . . A 17 LEU N . 34447 1 188 . 1 . 1 18 18 LEU H H 1 8.506 0.000 . . . . . . A 18 LEU H . 34447 1 189 . 1 . 1 18 18 LEU HA H 1 4.001 0.004 . . . . . . A 18 LEU HA . 34447 1 190 . 1 . 1 18 18 LEU HB2 H 1 1.835 0.003 . . . . . . A 18 LEU HB2 . 34447 1 191 . 1 . 1 18 18 LEU HB3 H 1 1.587 0.001 . . . . . . A 18 LEU HB3 . 34447 1 192 . 1 . 1 18 18 LEU HG H 1 1.587 0.001 . . . . . . A 18 LEU HG . 34447 1 193 . 1 . 1 18 18 LEU HD11 H 1 0.880 0.000 . . . . . . A 18 LEU HD11 . 34447 1 194 . 1 . 1 18 18 LEU HD12 H 1 0.880 0.000 . . . . . . A 18 LEU HD12 . 34447 1 195 . 1 . 1 18 18 LEU HD13 H 1 0.880 0.000 . . . . . . A 18 LEU HD13 . 34447 1 196 . 1 . 1 18 18 LEU HD21 H 1 0.901 0.000 . . . . . . A 18 LEU HD21 . 34447 1 197 . 1 . 1 18 18 LEU HD22 H 1 0.901 0.000 . . . . . . A 18 LEU HD22 . 34447 1 198 . 1 . 1 18 18 LEU HD23 H 1 0.901 0.000 . . . . . . A 18 LEU HD23 . 34447 1 199 . 1 . 1 18 18 LEU C C 13 178.369 0.000 . . . . . . A 18 LEU C . 34447 1 200 . 1 . 1 18 18 LEU CA C 13 58.170 0.084 . . . . . . A 18 LEU CA . 34447 1 201 . 1 . 1 18 18 LEU CB C 13 42.475 0.057 . . . . . . A 18 LEU CB . 34447 1 202 . 1 . 1 18 18 LEU CG C 13 28.348 0.018 . . . . . . A 18 LEU CG . 34447 1 203 . 1 . 1 18 18 LEU CD1 C 13 25.071 0.000 . . . . . . A 18 LEU CD1 . 34447 1 204 . 1 . 1 18 18 LEU CD2 C 13 25.227 0.000 . . . . . . A 18 LEU CD2 . 34447 1 205 . 1 . 1 18 18 LEU N N 15 121.777 0.000 . . . . . . A 18 LEU N . 34447 1 206 . 1 . 1 19 19 ARG H H 1 8.344 0.000 . . . . . . A 19 ARG H . 34447 1 207 . 1 . 1 19 19 ARG HA H 1 3.853 0.003 . . . . . . A 19 ARG HA . 34447 1 208 . 1 . 1 19 19 ARG HB2 H 1 1.912 0.003 . . . . . . A 19 ARG HB2 . 34447 1 209 . 1 . 1 19 19 ARG HB3 H 1 1.912 0.003 . . . . . . A 19 ARG HB3 . 34447 1 210 . 1 . 1 19 19 ARG HG2 H 1 1.543 0.000 . . . . . . A 19 ARG HG2 . 34447 1 211 . 1 . 1 19 19 ARG HG3 H 1 1.543 0.000 . . . . . . A 19 ARG HG3 . 34447 1 212 . 1 . 1 19 19 ARG HD2 H 1 3.157 0.007 . . . . . . A 19 ARG HD2 . 34447 1 213 . 1 . 1 19 19 ARG HD3 H 1 3.098 0.003 . . . . . . A 19 ARG HD3 . 34447 1 214 . 1 . 1 19 19 ARG HE H 1 7.265 0.000 . . . . . . A 19 ARG HE . 34447 1 215 . 1 . 1 19 19 ARG C C 13 179.275 0.000 . . . . . . A 19 ARG C . 34447 1 216 . 1 . 1 19 19 ARG CA C 13 60.708 0.043 . . . . . . A 19 ARG CA . 34447 1 217 . 1 . 1 19 19 ARG CB C 13 29.749 0.055 . . . . . . A 19 ARG CB . 34447 1 218 . 1 . 1 19 19 ARG CG C 13 29.558 0.030 . . . . . . A 19 ARG CG . 34447 1 219 . 1 . 1 19 19 ARG CD C 13 43.482 0.027 . . . . . . A 19 ARG CD . 34447 1 220 . 1 . 1 19 19 ARG N N 15 118.275 0.000 . . . . . . A 19 ARG N . 34447 1 221 . 1 . 1 19 19 ARG NE N 15 84.892 0.000 . . . . . . A 19 ARG NE . 34447 1 222 . 1 . 1 20 20 GLN H H 1 8.010 0.000 . . . . . . A 20 GLN H . 34447 1 223 . 1 . 1 20 20 GLN HA H 1 4.080 0.001 . . . . . . A 20 GLN HA . 34447 1 224 . 1 . 1 20 20 GLN HB2 H 1 2.186 0.000 . . . . . . A 20 GLN HB2 . 34447 1 225 . 1 . 1 20 20 GLN HB3 H 1 2.186 0.000 . . . . . . A 20 GLN HB3 . 34447 1 226 . 1 . 1 20 20 GLN HG2 H 1 2.473 0.001 . . . . . . A 20 GLN HG2 . 34447 1 227 . 1 . 1 20 20 GLN HG3 H 1 2.375 0.000 . . . . . . A 20 GLN HG3 . 34447 1 228 . 1 . 1 20 20 GLN HE21 H 1 7.441 0.000 . . . . . . A 20 GLN HE21 . 34447 1 229 . 1 . 1 20 20 GLN HE22 H 1 6.799 0.000 . . . . . . A 20 GLN HE22 . 34447 1 230 . 1 . 1 20 20 GLN C C 13 179.319 0.000 . . . . . . A 20 GLN C . 34447 1 231 . 1 . 1 20 20 GLN CA C 13 58.758 0.132 . . . . . . A 20 GLN CA . 34447 1 232 . 1 . 1 20 20 GLN CB C 13 28.495 0.023 . . . . . . A 20 GLN CB . 34447 1 233 . 1 . 1 20 20 GLN CG C 13 34.074 0.039 . . . . . . A 20 GLN CG . 34447 1 234 . 1 . 1 20 20 GLN N N 15 118.174 0.000 . . . . . . A 20 GLN N . 34447 1 235 . 1 . 1 20 20 GLN NE2 N 15 111.129 0.006 . . . . . . A 20 GLN NE2 . 34447 1 236 . 1 . 1 21 21 GLU H H 1 8.084 0.000 . . . . . . A 21 GLU H . 34447 1 237 . 1 . 1 21 21 GLU HA H 1 3.945 0.003 . . . . . . A 21 GLU HA . 34447 1 238 . 1 . 1 21 21 GLU HB2 H 1 2.166 0.005 . . . . . . A 21 GLU HB2 . 34447 1 239 . 1 . 1 21 21 GLU HB3 H 1 2.042 0.008 . . . . . . A 21 GLU HB3 . 34447 1 240 . 1 . 1 21 21 GLU HG2 H 1 2.335 0.004 . . . . . . A 21 GLU HG2 . 34447 1 241 . 1 . 1 21 21 GLU HG3 H 1 2.028 0.004 . . . . . . A 21 GLU HG3 . 34447 1 242 . 1 . 1 21 21 GLU C C 13 177.722 0.000 . . . . . . A 21 GLU C . 34447 1 243 . 1 . 1 21 21 GLU CA C 13 57.988 0.058 . . . . . . A 21 GLU CA . 34447 1 244 . 1 . 1 21 21 GLU CB C 13 29.811 0.070 . . . . . . A 21 GLU CB . 34447 1 245 . 1 . 1 21 21 GLU CG C 13 35.984 0.093 . . . . . . A 21 GLU CG . 34447 1 246 . 1 . 1 21 21 GLU N N 15 119.905 0.000 . . . . . . A 21 GLU N . 34447 1 247 . 1 . 1 22 22 MET H H 1 7.670 0.000 . . . . . . A 22 MET H . 34447 1 248 . 1 . 1 22 22 MET HA H 1 4.439 0.004 . . . . . . A 22 MET HA . 34447 1 249 . 1 . 1 22 22 MET HB2 H 1 2.107 0.003 . . . . . . A 22 MET HB2 . 34447 1 250 . 1 . 1 22 22 MET HB3 H 1 2.107 0.003 . . . . . . A 22 MET HB3 . 34447 1 251 . 1 . 1 22 22 MET HG2 H 1 2.393 0.003 . . . . . . A 22 MET HG2 . 34447 1 252 . 1 . 1 22 22 MET HG3 H 1 2.681 0.003 . . . . . . A 22 MET HG3 . 34447 1 253 . 1 . 1 22 22 MET HE1 H 1 1.937 0.000 . . . . . . A 22 MET HE1 . 34447 1 254 . 1 . 1 22 22 MET HE2 H 1 1.937 0.000 . . . . . . A 22 MET HE2 . 34447 1 255 . 1 . 1 22 22 MET HE3 H 1 1.937 0.000 . . . . . . A 22 MET HE3 . 34447 1 256 . 1 . 1 22 22 MET C C 13 176.241 0.000 . . . . . . A 22 MET C . 34447 1 257 . 1 . 1 22 22 MET CA C 13 56.111 0.060 . . . . . . A 22 MET CA . 34447 1 258 . 1 . 1 22 22 MET CB C 13 34.192 0.048 . . . . . . A 22 MET CB . 34447 1 259 . 1 . 1 22 22 MET CG C 13 32.824 0.076 . . . . . . A 22 MET CG . 34447 1 260 . 1 . 1 22 22 MET CE C 13 17.393 0.000 . . . . . . A 22 MET CE . 34447 1 261 . 1 . 1 22 22 MET N N 15 114.152 0.000 . . . . . . A 22 MET N . 34447 1 262 . 1 . 1 23 23 GLY H H 1 7.777 0.000 . . . . . . A 23 GLY H . 34447 1 263 . 1 . 1 23 23 GLY HA2 H 1 3.810 0.001 . . . . . . A 23 GLY HA2 . 34447 1 264 . 1 . 1 23 23 GLY HA3 H 1 4.060 0.003 . . . . . . A 23 GLY HA3 . 34447 1 265 . 1 . 1 23 23 GLY C C 13 173.854 0.000 . . . . . . A 23 GLY C . 34447 1 266 . 1 . 1 23 23 GLY CA C 13 45.971 0.019 . . . . . . A 23 GLY CA . 34447 1 267 . 1 . 1 23 23 GLY N N 15 108.761 0.000 . . . . . . A 23 GLY N . 34447 1 268 . 1 . 1 24 24 ASP H H 1 8.174 0.000 . . . . . . A 24 ASP H . 34447 1 269 . 1 . 1 24 24 ASP HA H 1 4.674 0.003 . . . . . . A 24 ASP HA . 34447 1 270 . 1 . 1 24 24 ASP HB2 H 1 2.653 0.003 . . . . . . A 24 ASP HB2 . 34447 1 271 . 1 . 1 24 24 ASP HB3 H 1 2.440 0.003 . . . . . . A 24 ASP HB3 . 34447 1 272 . 1 . 1 24 24 ASP C C 13 175.685 0.000 . . . . . . A 24 ASP C . 34447 1 273 . 1 . 1 24 24 ASP CA C 13 53.651 0.094 . . . . . . A 24 ASP CA . 34447 1 274 . 1 . 1 24 24 ASP CB C 13 42.273 0.059 . . . . . . A 24 ASP CB . 34447 1 275 . 1 . 1 24 24 ASP N N 15 120.477 0.000 . . . . . . A 24 ASP N . 34447 1 276 . 1 . 1 25 25 ASP H H 1 8.387 0.000 . . . . . . A 25 ASP H . 34447 1 277 . 1 . 1 25 25 ASP HA H 1 4.571 0.003 . . . . . . A 25 ASP HA . 34447 1 278 . 1 . 1 25 25 ASP HB2 H 1 2.717 0.007 . . . . . . A 25 ASP HB2 . 34447 1 279 . 1 . 1 25 25 ASP HB3 H 1 2.642 0.003 . . . . . . A 25 ASP HB3 . 34447 1 280 . 1 . 1 25 25 ASP C C 13 177.167 0.000 . . . . . . A 25 ASP C . 34447 1 281 . 1 . 1 25 25 ASP CA C 13 54.076 0.075 . . . . . . A 25 ASP CA . 34447 1 282 . 1 . 1 25 25 ASP CB C 13 41.169 0.038 . . . . . . A 25 ASP CB . 34447 1 283 . 1 . 1 25 25 ASP N N 15 122.805 0.000 . . . . . . A 25 ASP N . 34447 1 284 . 1 . 1 26 26 GLY H H 1 8.558 0.000 . . . . . . A 26 GLY H . 34447 1 285 . 1 . 1 26 26 GLY HA2 H 1 3.939 0.000 . . . . . . A 26 GLY HA2 . 34447 1 286 . 1 . 1 26 26 GLY HA3 H 1 3.939 0.000 . . . . . . A 26 GLY HA3 . 34447 1 287 . 1 . 1 26 26 GLY C C 13 175.071 0.000 . . . . . . A 26 GLY C . 34447 1 288 . 1 . 1 26 26 GLY CA C 13 45.699 0.000 . . . . . . A 26 GLY CA . 34447 1 289 . 1 . 1 26 26 GLY N N 15 109.384 0.000 . . . . . . A 26 GLY N . 34447 1 290 . 1 . 1 27 27 GLY H H 1 8.390 0.000 . . . . . . A 27 GLY H . 34447 1 291 . 1 . 1 27 27 GLY HA2 H 1 3.936 0.000 . . . . . . A 27 GLY HA2 . 34447 1 292 . 1 . 1 27 27 GLY HA3 H 1 3.936 0.000 . . . . . . A 27 GLY HA3 . 34447 1 293 . 1 . 1 27 27 GLY C C 13 174.850 0.000 . . . . . . A 27 GLY C . 34447 1 294 . 1 . 1 27 27 GLY CA C 13 45.462 0.074 . . . . . . A 27 GLY CA . 34447 1 295 . 1 . 1 27 27 GLY N N 15 108.592 0.000 . . . . . . A 27 GLY N . 34447 1 296 . 1 . 1 28 28 GLY H H 1 8.364 0.000 . . . . . . A 28 GLY H . 34447 1 297 . 1 . 1 28 28 GLY HA2 H 1 3.984 0.000 . . . . . . A 28 GLY HA2 . 34447 1 298 . 1 . 1 28 28 GLY HA3 H 1 3.984 0.000 . . . . . . A 28 GLY HA3 . 34447 1 299 . 1 . 1 28 28 GLY C C 13 174.430 0.000 . . . . . . A 28 GLY C . 34447 1 300 . 1 . 1 28 28 GLY CA C 13 45.282 0.020 . . . . . . A 28 GLY CA . 34447 1 301 . 1 . 1 28 28 GLY N N 15 108.836 0.000 . . . . . . A 28 GLY N . 34447 1 302 . 1 . 1 29 29 SER H H 1 8.412 0.000 . . . . . . A 29 SER H . 34447 1 303 . 1 . 1 29 29 SER HA H 1 4.467 0.001 . . . . . . A 29 SER HA . 34447 1 304 . 1 . 1 29 29 SER HB2 H 1 3.893 0.001 . . . . . . A 29 SER HB2 . 34447 1 305 . 1 . 1 29 29 SER HB3 H 1 3.854 0.001 . . . . . . A 29 SER HB3 . 34447 1 306 . 1 . 1 29 29 SER CA C 13 58.549 0.035 . . . . . . A 29 SER CA . 34447 1 307 . 1 . 1 29 29 SER CB C 13 64.102 0.040 . . . . . . A 29 SER CB . 34447 1 308 . 1 . 1 29 29 SER N N 15 115.763 0.000 . . . . . . A 29 SER N . 34447 1 309 . 1 . 1 30 30 GLY H H 1 8.605 0.000 . . . . . . A 30 GLY H . 34447 1 310 . 1 . 1 30 30 GLY HA2 H 1 3.966 0.000 . . . . . . A 30 GLY HA2 . 34447 1 311 . 1 . 1 30 30 GLY HA3 H 1 3.966 0.000 . . . . . . A 30 GLY HA3 . 34447 1 312 . 1 . 1 30 30 GLY C C 13 174.804 0.000 . . . . . . A 30 GLY C . 34447 1 313 . 1 . 1 30 30 GLY CA C 13 45.477 0.000 . . . . . . A 30 GLY CA . 34447 1 314 . 1 . 1 30 30 GLY N N 15 111.119 0.000 . . . . . . A 30 GLY N . 34447 1 315 . 1 . 1 31 31 GLY H H 1 8.400 0.000 . . . . . . A 31 GLY H . 34447 1 316 . 1 . 1 31 31 GLY HA2 H 1 3.949 0.002 . . . . . . A 31 GLY HA2 . 34447 1 317 . 1 . 1 31 31 GLY HA3 H 1 3.949 0.002 . . . . . . A 31 GLY HA3 . 34447 1 318 . 1 . 1 31 31 GLY CA C 13 45.542 0.052 . . . . . . A 31 GLY CA . 34447 1 319 . 1 . 1 31 31 GLY N N 15 109.044 0.000 . . . . . . A 31 GLY N . 34447 1 320 . 1 . 1 32 32 GLY H H 1 8.632 0.000 . . . . . . A 32 GLY H . 34447 1 321 . 1 . 1 32 32 GLY HA2 H 1 3.984 0.001 . . . . . . A 32 GLY HA2 . 34447 1 322 . 1 . 1 32 32 GLY HA3 H 1 3.984 0.001 . . . . . . A 32 GLY HA3 . 34447 1 323 . 1 . 1 32 32 GLY C C 13 174.365 0.000 . . . . . . A 32 GLY C . 34447 1 324 . 1 . 1 32 32 GLY CA C 13 45.396 0.089 . . . . . . A 32 GLY CA . 34447 1 325 . 1 . 1 32 32 GLY N N 15 109.378 0.000 . . . . . . A 32 GLY N . 34447 1 326 . 1 . 1 33 33 SER H H 1 8.371 0.000 . . . . . . A 33 SER H . 34447 1 327 . 1 . 1 33 33 SER HA H 1 4.502 0.002 . . . . . . A 33 SER HA . 34447 1 328 . 1 . 1 33 33 SER HB2 H 1 3.981 0.002 . . . . . . A 33 SER HB2 . 34447 1 329 . 1 . 1 33 33 SER HB3 H 1 4.145 0.002 . . . . . . A 33 SER HB3 . 34447 1 330 . 1 . 1 33 33 SER C C 13 175.282 0.000 . . . . . . A 33 SER C . 34447 1 331 . 1 . 1 33 33 SER CA C 13 58.369 0.075 . . . . . . A 33 SER CA . 34447 1 332 . 1 . 1 33 33 SER CB C 13 64.762 0.078 . . . . . . A 33 SER CB . 34447 1 333 . 1 . 1 33 33 SER N N 15 116.076 0.000 . . . . . . A 33 SER N . 34447 1 334 . 1 . 1 34 34 MET H H 1 8.861 0.000 . . . . . . A 34 MET H . 34447 1 335 . 1 . 1 34 34 MET HA H 1 4.376 0.002 . . . . . . A 34 MET HA . 34447 1 336 . 1 . 1 34 34 MET HB2 H 1 2.055 0.001 . . . . . . A 34 MET HB2 . 34447 1 337 . 1 . 1 34 34 MET HB3 H 1 2.115 0.003 . . . . . . A 34 MET HB3 . 34447 1 338 . 1 . 1 34 34 MET HG2 H 1 2.606 0.006 . . . . . . A 34 MET HG2 . 34447 1 339 . 1 . 1 34 34 MET HG3 H 1 2.713 0.005 . . . . . . A 34 MET HG3 . 34447 1 340 . 1 . 1 34 34 MET HE1 H 1 2.069 0.000 . . . . . . A 34 MET HE1 . 34447 1 341 . 1 . 1 34 34 MET HE2 H 1 2.069 0.000 . . . . . . A 34 MET HE2 . 34447 1 342 . 1 . 1 34 34 MET HE3 H 1 2.069 0.000 . . . . . . A 34 MET HE3 . 34447 1 343 . 1 . 1 34 34 MET C C 13 177.950 0.000 . . . . . . A 34 MET C . 34447 1 344 . 1 . 1 34 34 MET CA C 13 57.273 0.063 . . . . . . A 34 MET CA . 34447 1 345 . 1 . 1 34 34 MET CB C 13 31.343 0.043 . . . . . . A 34 MET CB . 34447 1 346 . 1 . 1 34 34 MET CG C 13 32.331 0.022 . . . . . . A 34 MET CG . 34447 1 347 . 1 . 1 34 34 MET CE C 13 16.889 0.000 . . . . . . A 34 MET CE . 34447 1 348 . 1 . 1 34 34 MET N N 15 120.902 0.000 . . . . . . A 34 MET N . 34447 1 349 . 1 . 1 35 35 GLN H H 1 8.298 0.000 . . . . . . A 35 GLN H . 34447 1 350 . 1 . 1 35 35 GLN HA H 1 4.176 0.002 . . . . . . A 35 GLN HA . 34447 1 351 . 1 . 1 35 35 GLN HB2 H 1 2.019 0.002 . . . . . . A 35 GLN HB2 . 34447 1 352 . 1 . 1 35 35 GLN HB3 H 1 2.019 0.002 . . . . . . A 35 GLN HB3 . 34447 1 353 . 1 . 1 35 35 GLN HG2 H 1 2.387 0.002 . . . . . . A 35 GLN HG2 . 34447 1 354 . 1 . 1 35 35 GLN HG3 H 1 2.387 0.002 . . . . . . A 35 GLN HG3 . 34447 1 355 . 1 . 1 35 35 GLN HE21 H 1 7.549 0.000 . . . . . . A 35 GLN HE21 . 34447 1 356 . 1 . 1 35 35 GLN HE22 H 1 6.859 0.000 . . . . . . A 35 GLN HE22 . 34447 1 357 . 1 . 1 35 35 GLN C C 13 177.687 0.000 . . . . . . A 35 GLN C . 34447 1 358 . 1 . 1 35 35 GLN CA C 13 58.739 0.033 . . . . . . A 35 GLN CA . 34447 1 359 . 1 . 1 35 35 GLN CB C 13 28.391 0.109 . . . . . . A 35 GLN CB . 34447 1 360 . 1 . 1 35 35 GLN CG C 13 34.350 0.029 . . . . . . A 35 GLN CG . 34447 1 361 . 1 . 1 35 35 GLN N N 15 119.300 0.000 . . . . . . A 35 GLN N . 34447 1 362 . 1 . 1 35 35 GLN NE2 N 15 112.097 0.005 . . . . . . A 35 GLN NE2 . 34447 1 363 . 1 . 1 36 36 ASP H H 1 7.812 0.000 . . . . . . A 36 ASP H . 34447 1 364 . 1 . 1 36 36 ASP HA H 1 4.451 0.004 . . . . . . A 36 ASP HA . 34447 1 365 . 1 . 1 36 36 ASP HB2 H 1 2.818 0.004 . . . . . . A 36 ASP HB2 . 34447 1 366 . 1 . 1 36 36 ASP HB3 H 1 2.694 0.003 . . . . . . A 36 ASP HB3 . 34447 1 367 . 1 . 1 36 36 ASP C C 13 178.282 0.000 . . . . . . A 36 ASP C . 34447 1 368 . 1 . 1 36 36 ASP CA C 13 56.642 0.065 . . . . . . A 36 ASP CA . 34447 1 369 . 1 . 1 36 36 ASP CB C 13 41.155 0.063 . . . . . . A 36 ASP CB . 34447 1 370 . 1 . 1 36 36 ASP N N 15 120.646 0.000 . . . . . . A 36 ASP N . 34447 1 371 . 1 . 1 37 37 ILE H H 1 8.107 0.000 . . . . . . A 37 ILE H . 34447 1 372 . 1 . 1 37 37 ILE HA H 1 3.680 0.002 . . . . . . A 37 ILE HA . 34447 1 373 . 1 . 1 37 37 ILE HB H 1 2.082 0.003 . . . . . . A 37 ILE HB . 34447 1 374 . 1 . 1 37 37 ILE HG12 H 1 1.214 0.004 . . . . . . A 37 ILE HG12 . 34447 1 375 . 1 . 1 37 37 ILE HG13 H 1 1.630 0.004 . . . . . . A 37 ILE HG13 . 34447 1 376 . 1 . 1 37 37 ILE HG21 H 1 0.881 0.001 . . . . . . A 37 ILE HG21 . 34447 1 377 . 1 . 1 37 37 ILE HG22 H 1 0.881 0.001 . . . . . . A 37 ILE HG22 . 34447 1 378 . 1 . 1 37 37 ILE HG23 H 1 0.881 0.001 . . . . . . A 37 ILE HG23 . 34447 1 379 . 1 . 1 37 37 ILE HD11 H 1 0.803 0.001 . . . . . . A 37 ILE HD11 . 34447 1 380 . 1 . 1 37 37 ILE HD12 H 1 0.803 0.001 . . . . . . A 37 ILE HD12 . 34447 1 381 . 1 . 1 37 37 ILE HD13 H 1 0.803 0.001 . . . . . . A 37 ILE HD13 . 34447 1 382 . 1 . 1 37 37 ILE C C 13 177.397 0.000 . . . . . . A 37 ILE C . 34447 1 383 . 1 . 1 37 37 ILE CA C 13 64.199 0.038 . . . . . . A 37 ILE CA . 34447 1 384 . 1 . 1 37 37 ILE CB C 13 37.168 0.043 . . . . . . A 37 ILE CB . 34447 1 385 . 1 . 1 37 37 ILE CG1 C 13 28.936 0.040 . . . . . . A 37 ILE CG1 . 34447 1 386 . 1 . 1 37 37 ILE CG2 C 13 18.258 0.055 . . . . . . A 37 ILE CG2 . 34447 1 387 . 1 . 1 37 37 ILE CD1 C 13 12.266 0.054 . . . . . . A 37 ILE CD1 . 34447 1 388 . 1 . 1 37 37 ILE N N 15 121.104 0.000 . . . . . . A 37 ILE N . 34447 1 389 . 1 . 1 38 38 GLN H H 1 8.489 0.000 . . . . . . A 38 GLN H . 34447 1 390 . 1 . 1 38 38 GLN HA H 1 3.697 0.003 . . . . . . A 38 GLN HA . 34447 1 391 . 1 . 1 38 38 GLN HB2 H 1 2.394 0.003 . . . . . . A 38 GLN HB2 . 34447 1 392 . 1 . 1 38 38 GLN HB3 H 1 2.105 0.004 . . . . . . A 38 GLN HB3 . 34447 1 393 . 1 . 1 38 38 GLN HG2 H 1 2.265 0.001 . . . . . . A 38 GLN HG2 . 34447 1 394 . 1 . 1 38 38 GLN HG3 H 1 2.394 0.002 . . . . . . A 38 GLN HG3 . 34447 1 395 . 1 . 1 38 38 GLN HE21 H 1 7.572 0.000 . . . . . . A 38 GLN HE21 . 34447 1 396 . 1 . 1 38 38 GLN HE22 H 1 6.733 0.000 . . . . . . A 38 GLN HE22 . 34447 1 397 . 1 . 1 38 38 GLN C C 13 177.785 0.000 . . . . . . A 38 GLN C . 34447 1 398 . 1 . 1 38 38 GLN CA C 13 60.562 0.068 . . . . . . A 38 GLN CA . 34447 1 399 . 1 . 1 38 38 GLN CB C 13 28.376 0.086 . . . . . . A 38 GLN CB . 34447 1 400 . 1 . 1 38 38 GLN CG C 13 34.200 0.040 . . . . . . A 38 GLN CG . 34447 1 401 . 1 . 1 38 38 GLN N N 15 120.595 0.000 . . . . . . A 38 GLN N . 34447 1 402 . 1 . 1 38 38 GLN NE2 N 15 111.722 0.011 . . . . . . A 38 GLN NE2 . 34447 1 403 . 1 . 1 39 39 GLN H H 1 7.885 0.000 . . . . . . A 39 GLN H . 34447 1 404 . 1 . 1 39 39 GLN HA H 1 4.011 0.004 . . . . . . A 39 GLN HA . 34447 1 405 . 1 . 1 39 39 GLN HB2 H 1 2.136 0.003 . . . . . . A 39 GLN HB2 . 34447 1 406 . 1 . 1 39 39 GLN HB3 H 1 2.205 0.001 . . . . . . A 39 GLN HB3 . 34447 1 407 . 1 . 1 39 39 GLN HG2 H 1 2.577 0.003 . . . . . . A 39 GLN HG2 . 34447 1 408 . 1 . 1 39 39 GLN HG3 H 1 2.396 0.004 . . . . . . A 39 GLN HG3 . 34447 1 409 . 1 . 1 39 39 GLN HE21 H 1 7.540 0.000 . . . . . . A 39 GLN HE21 . 34447 1 410 . 1 . 1 39 39 GLN HE22 H 1 6.900 0.000 . . . . . . A 39 GLN HE22 . 34447 1 411 . 1 . 1 39 39 GLN C C 13 178.636 0.000 . . . . . . A 39 GLN C . 34447 1 412 . 1 . 1 39 39 GLN CA C 13 58.978 0.017 . . . . . . A 39 GLN CA . 34447 1 413 . 1 . 1 39 39 GLN CB C 13 28.379 0.087 . . . . . . A 39 GLN CB . 34447 1 414 . 1 . 1 39 39 GLN CG C 13 34.225 0.031 . . . . . . A 39 GLN CG . 34447 1 415 . 1 . 1 39 39 GLN N N 15 116.863 0.000 . . . . . . A 39 GLN N . 34447 1 416 . 1 . 1 39 39 GLN NE2 N 15 111.981 0.004 . . . . . . A 39 GLN NE2 . 34447 1 417 . 1 . 1 40 40 LEU H H 1 8.167 0.000 . . . . . . A 40 LEU H . 34447 1 418 . 1 . 1 40 40 LEU HA H 1 4.074 0.006 . . . . . . A 40 LEU HA . 34447 1 419 . 1 . 1 40 40 LEU HB2 H 1 1.803 0.004 . . . . . . A 40 LEU HB2 . 34447 1 420 . 1 . 1 40 40 LEU HB3 H 1 1.671 0.001 . . . . . . A 40 LEU HB3 . 34447 1 421 . 1 . 1 40 40 LEU HG H 1 1.610 0.000 . . . . . . A 40 LEU HG . 34447 1 422 . 1 . 1 40 40 LEU HD11 H 1 0.873 0.001 . . . . . . A 40 LEU HD11 . 34447 1 423 . 1 . 1 40 40 LEU HD12 H 1 0.873 0.001 . . . . . . A 40 LEU HD12 . 34447 1 424 . 1 . 1 40 40 LEU HD13 H 1 0.873 0.001 . . . . . . A 40 LEU HD13 . 34447 1 425 . 1 . 1 40 40 LEU HD21 H 1 0.905 0.001 . . . . . . A 40 LEU HD21 . 34447 1 426 . 1 . 1 40 40 LEU HD22 H 1 0.905 0.001 . . . . . . A 40 LEU HD22 . 34447 1 427 . 1 . 1 40 40 LEU HD23 H 1 0.905 0.001 . . . . . . A 40 LEU HD23 . 34447 1 428 . 1 . 1 40 40 LEU C C 13 180.571 0.000 . . . . . . A 40 LEU C . 34447 1 429 . 1 . 1 40 40 LEU CA C 13 57.851 0.094 . . . . . . A 40 LEU CA . 34447 1 430 . 1 . 1 40 40 LEU CB C 13 42.378 0.024 . . . . . . A 40 LEU CB . 34447 1 431 . 1 . 1 40 40 LEU CG C 13 26.961 0.000 . . . . . . A 40 LEU CG . 34447 1 432 . 1 . 1 40 40 LEU CD1 C 13 24.562 0.000 . . . . . . A 40 LEU CD1 . 34447 1 433 . 1 . 1 40 40 LEU CD2 C 13 25.496 0.042 . . . . . . A 40 LEU CD2 . 34447 1 434 . 1 . 1 40 40 LEU N N 15 121.259 0.000 . . . . . . A 40 LEU N . 34447 1 435 . 1 . 1 41 41 LEU H H 1 8.765 0.000 . . . . . . A 41 LEU H . 34447 1 436 . 1 . 1 41 41 LEU HA H 1 3.947 0.002 . . . . . . A 41 LEU HA . 34447 1 437 . 1 . 1 41 41 LEU HB2 H 1 2.087 0.004 . . . . . . A 41 LEU HB2 . 34447 1 438 . 1 . 1 41 41 LEU HB3 H 1 1.217 0.004 . . . . . . A 41 LEU HB3 . 34447 1 439 . 1 . 1 41 41 LEU HG H 1 1.877 0.002 . . . . . . A 41 LEU HG . 34447 1 440 . 1 . 1 41 41 LEU HD11 H 1 0.689 0.002 . . . . . . A 41 LEU HD11 . 34447 1 441 . 1 . 1 41 41 LEU HD12 H 1 0.689 0.002 . . . . . . A 41 LEU HD12 . 34447 1 442 . 1 . 1 41 41 LEU HD13 H 1 0.689 0.002 . . . . . . A 41 LEU HD13 . 34447 1 443 . 1 . 1 41 41 LEU HD21 H 1 0.800 0.002 . . . . . . A 41 LEU HD21 . 34447 1 444 . 1 . 1 41 41 LEU HD22 H 1 0.800 0.002 . . . . . . A 41 LEU HD22 . 34447 1 445 . 1 . 1 41 41 LEU HD23 H 1 0.800 0.002 . . . . . . A 41 LEU HD23 . 34447 1 446 . 1 . 1 41 41 LEU C C 13 178.336 0.000 . . . . . . A 41 LEU C . 34447 1 447 . 1 . 1 41 41 LEU CA C 13 58.047 0.067 . . . . . . A 41 LEU CA . 34447 1 448 . 1 . 1 41 41 LEU CB C 13 42.316 0.028 . . . . . . A 41 LEU CB . 34447 1 449 . 1 . 1 41 41 LEU CG C 13 26.858 0.076 . . . . . . A 41 LEU CG . 34447 1 450 . 1 . 1 41 41 LEU CD1 C 13 22.899 0.073 . . . . . . A 41 LEU CD1 . 34447 1 451 . 1 . 1 41 41 LEU CD2 C 13 27.181 0.048 . . . . . . A 41 LEU CD2 . 34447 1 452 . 1 . 1 41 41 LEU N N 15 121.588 0.000 . . . . . . A 41 LEU N . 34447 1 453 . 1 . 1 42 42 ALA H H 1 8.165 0.001 . . . . . . A 42 ALA H . 34447 1 454 . 1 . 1 42 42 ALA HA H 1 4.030 0.002 . . . . . . A 42 ALA HA . 34447 1 455 . 1 . 1 42 42 ALA HB1 H 1 1.538 0.000 . . . . . . A 42 ALA HB1 . 34447 1 456 . 1 . 1 42 42 ALA HB2 H 1 1.538 0.000 . . . . . . A 42 ALA HB2 . 34447 1 457 . 1 . 1 42 42 ALA HB3 H 1 1.538 0.000 . . . . . . A 42 ALA HB3 . 34447 1 458 . 1 . 1 42 42 ALA C C 13 180.632 0.000 . . . . . . A 42 ALA C . 34447 1 459 . 1 . 1 42 42 ALA CA C 13 55.648 0.032 . . . . . . A 42 ALA CA . 34447 1 460 . 1 . 1 42 42 ALA CB C 13 17.941 0.042 . . . . . . A 42 ALA CB . 34447 1 461 . 1 . 1 42 42 ALA N N 15 121.537 0.000 . . . . . . A 42 ALA N . 34447 1 462 . 1 . 1 43 43 LYS H H 1 8.534 0.000 . . . . . . A 43 LYS H . 34447 1 463 . 1 . 1 43 43 LYS HA H 1 4.096 0.004 . . . . . . A 43 LYS HA . 34447 1 464 . 1 . 1 43 43 LYS HB2 H 1 1.932 0.001 . . . . . . A 43 LYS HB2 . 34447 1 465 . 1 . 1 43 43 LYS HB3 H 1 1.932 0.001 . . . . . . A 43 LYS HB3 . 34447 1 466 . 1 . 1 43 43 LYS HG2 H 1 1.539 0.002 . . . . . . A 43 LYS HG2 . 34447 1 467 . 1 . 1 43 43 LYS HG3 H 1 1.677 0.003 . . . . . . A 43 LYS HG3 . 34447 1 468 . 1 . 1 43 43 LYS HD2 H 1 1.666 0.000 . . . . . . A 43 LYS HD2 . 34447 1 469 . 1 . 1 43 43 LYS HD3 H 1 1.666 0.000 . . . . . . A 43 LYS HD3 . 34447 1 470 . 1 . 1 43 43 LYS HE2 H 1 2.961 0.001 . . . . . . A 43 LYS HE2 . 34447 1 471 . 1 . 1 43 43 LYS HE3 H 1 2.961 0.001 . . . . . . A 43 LYS HE3 . 34447 1 472 . 1 . 1 43 43 LYS C C 13 179.414 0.000 . . . . . . A 43 LYS C . 34447 1 473 . 1 . 1 43 43 LYS CA C 13 59.479 0.044 . . . . . . A 43 LYS CA . 34447 1 474 . 1 . 1 43 43 LYS CB C 13 32.504 0.101 . . . . . . A 43 LYS CB . 34447 1 475 . 1 . 1 43 43 LYS CG C 13 25.833 0.038 . . . . . . A 43 LYS CG . 34447 1 476 . 1 . 1 43 43 LYS CD C 13 29.446 0.028 . . . . . . A 43 LYS CD . 34447 1 477 . 1 . 1 43 43 LYS CE C 13 42.107 0.036 . . . . . . A 43 LYS CE . 34447 1 478 . 1 . 1 43 43 LYS N N 15 119.230 0.000 . . . . . . A 43 LYS N . 34447 1 479 . 1 . 1 44 44 SER H H 1 8.379 0.000 . . . . . . A 44 SER H . 34447 1 480 . 1 . 1 44 44 SER HA H 1 4.205 0.006 . . . . . . A 44 SER HA . 34447 1 481 . 1 . 1 44 44 SER HB2 H 1 3.696 0.002 . . . . . . A 44 SER HB2 . 34447 1 482 . 1 . 1 44 44 SER HB3 H 1 4.165 0.002 . . . . . . A 44 SER HB3 . 34447 1 483 . 1 . 1 44 44 SER CA C 13 63.225 0.043 . . . . . . A 44 SER CA . 34447 1 484 . 1 . 1 44 44 SER CB C 13 63.169 0.021 . . . . . . A 44 SER CB . 34447 1 485 . 1 . 1 44 44 SER N N 15 117.510 0.000 . . . . . . A 44 SER N . 34447 1 486 . 1 . 1 45 45 LEU H H 1 8.051 0.000 . . . . . . A 45 LEU H . 34447 1 487 . 1 . 1 45 45 LEU HA H 1 3.967 0.002 . . . . . . A 45 LEU HA . 34447 1 488 . 1 . 1 45 45 LEU HB2 H 1 2.110 0.000 . . . . . . A 45 LEU HB2 . 34447 1 489 . 1 . 1 45 45 LEU HB3 H 1 1.427 0.006 . . . . . . A 45 LEU HB3 . 34447 1 490 . 1 . 1 45 45 LEU HG H 1 1.497 0.002 . . . . . . A 45 LEU HG . 34447 1 491 . 1 . 1 45 45 LEU HD11 H 1 0.850 0.002 . . . . . . A 45 LEU HD11 . 34447 1 492 . 1 . 1 45 45 LEU HD12 H 1 0.850 0.002 . . . . . . A 45 LEU HD12 . 34447 1 493 . 1 . 1 45 45 LEU HD13 H 1 0.850 0.002 . . . . . . A 45 LEU HD13 . 34447 1 494 . 1 . 1 45 45 LEU HD21 H 1 0.858 0.002 . . . . . . A 45 LEU HD21 . 34447 1 495 . 1 . 1 45 45 LEU HD22 H 1 0.858 0.002 . . . . . . A 45 LEU HD22 . 34447 1 496 . 1 . 1 45 45 LEU HD23 H 1 0.858 0.002 . . . . . . A 45 LEU HD23 . 34447 1 497 . 1 . 1 45 45 LEU C C 13 177.851 0.000 . . . . . . A 45 LEU C . 34447 1 498 . 1 . 1 45 45 LEU CA C 13 58.519 0.039 . . . . . . A 45 LEU CA . 34447 1 499 . 1 . 1 45 45 LEU CB C 13 41.538 0.022 . . . . . . A 45 LEU CB . 34447 1 500 . 1 . 1 45 45 LEU CG C 13 27.057 0.046 . . . . . . A 45 LEU CG . 34447 1 501 . 1 . 1 45 45 LEU CD1 C 13 26.950 0.032 . . . . . . A 45 LEU CD1 . 34447 1 502 . 1 . 1 45 45 LEU CD2 C 13 23.337 0.037 . . . . . . A 45 LEU CD2 . 34447 1 503 . 1 . 1 45 45 LEU N N 15 122.413 0.000 . . . . . . A 45 LEU N . 34447 1 504 . 1 . 1 46 46 THR H H 1 7.975 0.000 . . . . . . A 46 THR H . 34447 1 505 . 1 . 1 46 46 THR HA H 1 3.813 0.002 . . . . . . A 46 THR HA . 34447 1 506 . 1 . 1 46 46 THR HB H 1 4.354 0.002 . . . . . . A 46 THR HB . 34447 1 507 . 1 . 1 46 46 THR HG21 H 1 1.326 0.000 . . . . . . A 46 THR HG21 . 34447 1 508 . 1 . 1 46 46 THR HG22 H 1 1.326 0.000 . . . . . . A 46 THR HG22 . 34447 1 509 . 1 . 1 46 46 THR HG23 H 1 1.326 0.000 . . . . . . A 46 THR HG23 . 34447 1 510 . 1 . 1 46 46 THR C C 13 176.719 0.000 . . . . . . A 46 THR C . 34447 1 511 . 1 . 1 46 46 THR CA C 13 66.901 0.062 . . . . . . A 46 THR CA . 34447 1 512 . 1 . 1 46 46 THR CB C 13 68.910 0.044 . . . . . . A 46 THR CB . 34447 1 513 . 1 . 1 46 46 THR CG2 C 13 21.953 0.017 . . . . . . A 46 THR CG2 . 34447 1 514 . 1 . 1 46 46 THR N N 15 114.483 0.000 . . . . . . A 46 THR N . 34447 1 515 . 1 . 1 47 47 GLU H H 1 8.439 0.000 . . . . . . A 47 GLU H . 34447 1 516 . 1 . 1 47 47 GLU HA H 1 4.575 0.003 . . . . . . A 47 GLU HA . 34447 1 517 . 1 . 1 47 47 GLU HB2 H 1 2.184 0.000 . . . . . . A 47 GLU HB2 . 34447 1 518 . 1 . 1 47 47 GLU HB3 H 1 1.991 0.000 . . . . . . A 47 GLU HB3 . 34447 1 519 . 1 . 1 47 47 GLU HG2 H 1 2.291 0.004 . . . . . . A 47 GLU HG2 . 34447 1 520 . 1 . 1 47 47 GLU HG3 H 1 2.291 0.004 . . . . . . A 47 GLU HG3 . 34447 1 521 . 1 . 1 47 47 GLU C C 13 178.443 0.000 . . . . . . A 47 GLU C . 34447 1 522 . 1 . 1 47 47 GLU CA C 13 58.677 0.042 . . . . . . A 47 GLU CA . 34447 1 523 . 1 . 1 47 47 GLU CB C 13 29.682 0.060 . . . . . . A 47 GLU CB . 34447 1 524 . 1 . 1 47 47 GLU CG C 13 34.560 0.040 . . . . . . A 47 GLU CG . 34447 1 525 . 1 . 1 47 47 GLU N N 15 123.956 0.000 . . . . . . A 47 GLU N . 34447 1 526 . 1 . 1 48 48 ILE H H 1 8.699 0.000 . . . . . . A 48 ILE H . 34447 1 527 . 1 . 1 48 48 ILE HA H 1 3.541 0.002 . . . . . . A 48 ILE HA . 34447 1 528 . 1 . 1 48 48 ILE HB H 1 1.890 0.000 . . . . . . A 48 ILE HB . 34447 1 529 . 1 . 1 48 48 ILE HG12 H 1 1.956 0.004 . . . . . . A 48 ILE HG12 . 34447 1 530 . 1 . 1 48 48 ILE HG13 H 1 0.755 0.005 . . . . . . A 48 ILE HG13 . 34447 1 531 . 1 . 1 48 48 ILE HG21 H 1 0.859 0.001 . . . . . . A 48 ILE HG21 . 34447 1 532 . 1 . 1 48 48 ILE HG22 H 1 0.859 0.001 . . . . . . A 48 ILE HG22 . 34447 1 533 . 1 . 1 48 48 ILE HG23 H 1 0.859 0.001 . . . . . . A 48 ILE HG23 . 34447 1 534 . 1 . 1 48 48 ILE HD11 H 1 0.866 0.003 . . . . . . A 48 ILE HD11 . 34447 1 535 . 1 . 1 48 48 ILE HD12 H 1 0.866 0.003 . . . . . . A 48 ILE HD12 . 34447 1 536 . 1 . 1 48 48 ILE HD13 H 1 0.866 0.003 . . . . . . A 48 ILE HD13 . 34447 1 537 . 1 . 1 48 48 ILE C C 13 177.950 0.000 . . . . . . A 48 ILE C . 34447 1 538 . 1 . 1 48 48 ILE CA C 13 66.701 0.044 . . . . . . A 48 ILE CA . 34447 1 539 . 1 . 1 48 48 ILE CB C 13 38.158 0.060 . . . . . . A 48 ILE CB . 34447 1 540 . 1 . 1 48 48 ILE CG1 C 13 31.768 0.037 . . . . . . A 48 ILE CG1 . 34447 1 541 . 1 . 1 48 48 ILE CG2 C 13 17.131 0.036 . . . . . . A 48 ILE CG2 . 34447 1 542 . 1 . 1 48 48 ILE CD1 C 13 13.639 0.040 . . . . . . A 48 ILE CD1 . 34447 1 543 . 1 . 1 48 48 ILE N N 15 120.808 0.000 . . . . . . A 48 ILE N . 34447 1 544 . 1 . 1 49 49 LYS H H 1 8.139 0.000 . . . . . . A 49 LYS H . 34447 1 545 . 1 . 1 49 49 LYS HA H 1 3.834 0.002 . . . . . . A 49 LYS HA . 34447 1 546 . 1 . 1 49 49 LYS HB2 H 1 1.859 0.005 . . . . . . A 49 LYS HB2 . 34447 1 547 . 1 . 1 49 49 LYS HB3 H 1 1.859 0.005 . . . . . . A 49 LYS HB3 . 34447 1 548 . 1 . 1 49 49 LYS HG2 H 1 1.380 0.004 . . . . . . A 49 LYS HG2 . 34447 1 549 . 1 . 1 49 49 LYS HG3 H 1 1.703 0.003 . . . . . . A 49 LYS HG3 . 34447 1 550 . 1 . 1 49 49 LYS HD2 H 1 1.648 0.000 . . . . . . A 49 LYS HD2 . 34447 1 551 . 1 . 1 49 49 LYS HD3 H 1 1.648 0.000 . . . . . . A 49 LYS HD3 . 34447 1 552 . 1 . 1 49 49 LYS HE2 H 1 2.843 0.001 . . . . . . A 49 LYS HE2 . 34447 1 553 . 1 . 1 49 49 LYS HE3 H 1 2.978 0.006 . . . . . . A 49 LYS HE3 . 34447 1 554 . 1 . 1 49 49 LYS C C 13 179.821 0.000 . . . . . . A 49 LYS C . 34447 1 555 . 1 . 1 49 49 LYS CA C 13 60.913 0.080 . . . . . . A 49 LYS CA . 34447 1 556 . 1 . 1 49 49 LYS CB C 13 32.227 0.138 . . . . . . A 49 LYS CB . 34447 1 557 . 1 . 1 49 49 LYS CG C 13 25.872 0.054 . . . . . . A 49 LYS CG . 34447 1 558 . 1 . 1 49 49 LYS CD C 13 29.655 0.078 . . . . . . A 49 LYS CD . 34447 1 559 . 1 . 1 49 49 LYS CE C 13 41.603 0.086 . . . . . . A 49 LYS CE . 34447 1 560 . 1 . 1 49 49 LYS N N 15 117.459 0.000 . . . . . . A 49 LYS N . 34447 1 561 . 1 . 1 50 50 ARG H H 1 8.415 0.000 . . . . . . A 50 ARG H . 34447 1 562 . 1 . 1 50 50 ARG HA H 1 4.045 0.004 . . . . . . A 50 ARG HA . 34447 1 563 . 1 . 1 50 50 ARG HB2 H 1 2.107 0.002 . . . . . . A 50 ARG HB2 . 34447 1 564 . 1 . 1 50 50 ARG HB3 H 1 1.961 0.000 . . . . . . A 50 ARG HB3 . 34447 1 565 . 1 . 1 50 50 ARG HG2 H 1 1.691 0.004 . . . . . . A 50 ARG HG2 . 34447 1 566 . 1 . 1 50 50 ARG HG3 H 1 1.446 0.002 . . . . . . A 50 ARG HG3 . 34447 1 567 . 1 . 1 50 50 ARG HD2 H 1 3.369 0.002 . . . . . . A 50 ARG HD2 . 34447 1 568 . 1 . 1 50 50 ARG HD3 H 1 3.026 0.001 . . . . . . A 50 ARG HD3 . 34447 1 569 . 1 . 1 50 50 ARG HE H 1 8.190 0.000 . . . . . . A 50 ARG HE . 34447 1 570 . 1 . 1 50 50 ARG C C 13 180.014 0.000 . . . . . . A 50 ARG C . 34447 1 571 . 1 . 1 50 50 ARG CA C 13 59.693 0.062 . . . . . . A 50 ARG CA . 34447 1 572 . 1 . 1 50 50 ARG CB C 13 30.616 0.061 . . . . . . A 50 ARG CB . 34447 1 573 . 1 . 1 50 50 ARG CG C 13 27.363 0.058 . . . . . . A 50 ARG CG . 34447 1 574 . 1 . 1 50 50 ARG CD C 13 42.908 0.029 . . . . . . A 50 ARG CD . 34447 1 575 . 1 . 1 50 50 ARG N N 15 121.819 0.000 . . . . . . A 50 ARG N . 34447 1 576 . 1 . 1 50 50 ARG NE N 15 82.522 0.000 . . . . . . A 50 ARG NE . 34447 1 577 . 1 . 1 51 51 LEU H H 1 8.807 0.000 . . . . . . A 51 LEU H . 34447 1 578 . 1 . 1 51 51 LEU HA H 1 3.947 0.004 . . . . . . A 51 LEU HA . 34447 1 579 . 1 . 1 51 51 LEU HB2 H 1 2.083 0.006 . . . . . . A 51 LEU HB2 . 34447 1 580 . 1 . 1 51 51 LEU HB3 H 1 1.299 0.010 . . . . . . A 51 LEU HB3 . 34447 1 581 . 1 . 1 51 51 LEU HG H 1 1.769 0.002 . . . . . . A 51 LEU HG . 34447 1 582 . 1 . 1 51 51 LEU HD11 H 1 0.804 0.001 . . . . . . A 51 LEU HD11 . 34447 1 583 . 1 . 1 51 51 LEU HD12 H 1 0.804 0.001 . . . . . . A 51 LEU HD12 . 34447 1 584 . 1 . 1 51 51 LEU HD13 H 1 0.804 0.001 . . . . . . A 51 LEU HD13 . 34447 1 585 . 1 . 1 51 51 LEU HD21 H 1 1.015 0.003 . . . . . . A 51 LEU HD21 . 34447 1 586 . 1 . 1 51 51 LEU HD22 H 1 1.015 0.003 . . . . . . A 51 LEU HD22 . 34447 1 587 . 1 . 1 51 51 LEU HD23 H 1 1.015 0.003 . . . . . . A 51 LEU HD23 . 34447 1 588 . 1 . 1 51 51 LEU C C 13 179.624 0.000 . . . . . . A 51 LEU C . 34447 1 589 . 1 . 1 51 51 LEU CA C 13 57.989 0.027 . . . . . . A 51 LEU CA . 34447 1 590 . 1 . 1 51 51 LEU CB C 13 44.079 0.040 . . . . . . A 51 LEU CB . 34447 1 591 . 1 . 1 51 51 LEU CG C 13 27.843 0.024 . . . . . . A 51 LEU CG . 34447 1 592 . 1 . 1 51 51 LEU CD1 C 13 23.390 0.031 . . . . . . A 51 LEU CD1 . 34447 1 593 . 1 . 1 51 51 LEU CD2 C 13 27.823 0.038 . . . . . . A 51 LEU CD2 . 34447 1 594 . 1 . 1 51 51 LEU N N 15 121.931 0.000 . . . . . . A 51 LEU N . 34447 1 595 . 1 . 1 52 52 LYS H H 1 8.716 0.000 . . . . . . A 52 LYS H . 34447 1 596 . 1 . 1 52 52 LYS HA H 1 3.967 0.004 . . . . . . A 52 LYS HA . 34447 1 597 . 1 . 1 52 52 LYS HB2 H 1 1.894 0.013 . . . . . . A 52 LYS HB2 . 34447 1 598 . 1 . 1 52 52 LYS HB3 H 1 1.861 0.000 . . . . . . A 52 LYS HB3 . 34447 1 599 . 1 . 1 52 52 LYS HG2 H 1 1.382 0.004 . . . . . . A 52 LYS HG2 . 34447 1 600 . 1 . 1 52 52 LYS HG3 H 1 1.907 0.003 . . . . . . A 52 LYS HG3 . 34447 1 601 . 1 . 1 52 52 LYS HD2 H 1 1.774 0.000 . . . . . . A 52 LYS HD2 . 34447 1 602 . 1 . 1 52 52 LYS HD3 H 1 1.665 0.000 . . . . . . A 52 LYS HD3 . 34447 1 603 . 1 . 1 52 52 LYS HE2 H 1 3.015 0.000 . . . . . . A 52 LYS HE2 . 34447 1 604 . 1 . 1 52 52 LYS HE3 H 1 2.865 0.000 . . . . . . A 52 LYS HE3 . 34447 1 605 . 1 . 1 52 52 LYS C C 13 179.509 0.000 . . . . . . A 52 LYS C . 34447 1 606 . 1 . 1 52 52 LYS CA C 13 60.640 0.071 . . . . . . A 52 LYS CA . 34447 1 607 . 1 . 1 52 52 LYS CB C 13 32.647 0.047 . . . . . . A 52 LYS CB . 34447 1 608 . 1 . 1 52 52 LYS CG C 13 27.202 0.085 . . . . . . A 52 LYS CG . 34447 1 609 . 1 . 1 52 52 LYS CD C 13 30.023 0.001 . . . . . . A 52 LYS CD . 34447 1 610 . 1 . 1 52 52 LYS CE C 13 42.145 0.011 . . . . . . A 52 LYS CE . 34447 1 611 . 1 . 1 52 52 LYS N N 15 120.018 0.000 . . . . . . A 52 LYS N . 34447 1 612 . 1 . 1 53 53 ALA H H 1 7.908 0.000 . . . . . . A 53 ALA H . 34447 1 613 . 1 . 1 53 53 ALA HA H 1 4.218 0.001 . . . . . . A 53 ALA HA . 34447 1 614 . 1 . 1 53 53 ALA HB1 H 1 1.516 0.000 . . . . . . A 53 ALA HB1 . 34447 1 615 . 1 . 1 53 53 ALA HB2 H 1 1.516 0.000 . . . . . . A 53 ALA HB2 . 34447 1 616 . 1 . 1 53 53 ALA HB3 H 1 1.516 0.000 . . . . . . A 53 ALA HB3 . 34447 1 617 . 1 . 1 53 53 ALA C C 13 180.810 0.000 . . . . . . A 53 ALA C . 34447 1 618 . 1 . 1 53 53 ALA CA C 13 55.091 0.035 . . . . . . A 53 ALA CA . 34447 1 619 . 1 . 1 53 53 ALA CB C 13 17.623 0.089 . . . . . . A 53 ALA CB . 34447 1 620 . 1 . 1 53 53 ALA N N 15 122.047 0.000 . . . . . . A 53 ALA N . 34447 1 621 . 1 . 1 54 54 ALA H H 1 8.246 0.000 . . . . . . A 54 ALA H . 34447 1 622 . 1 . 1 54 54 ALA HA H 1 4.186 0.005 . . . . . . A 54 ALA HA . 34447 1 623 . 1 . 1 54 54 ALA HB1 H 1 1.476 0.001 . . . . . . A 54 ALA HB1 . 34447 1 624 . 1 . 1 54 54 ALA HB2 H 1 1.476 0.001 . . . . . . A 54 ALA HB2 . 34447 1 625 . 1 . 1 54 54 ALA HB3 H 1 1.476 0.001 . . . . . . A 54 ALA HB3 . 34447 1 626 . 1 . 1 54 54 ALA C C 13 180.008 0.000 . . . . . . A 54 ALA C . 34447 1 627 . 1 . 1 54 54 ALA CA C 13 54.860 0.077 . . . . . . A 54 ALA CA . 34447 1 628 . 1 . 1 54 54 ALA CB C 13 17.619 0.050 . . . . . . A 54 ALA CB . 34447 1 629 . 1 . 1 54 54 ALA N N 15 122.707 0.000 . . . . . . A 54 ALA N . 34447 1 630 . 1 . 1 55 55 ASN H H 1 8.529 0.000 . . . . . . A 55 ASN H . 34447 1 631 . 1 . 1 55 55 ASN HA H 1 4.335 0.005 . . . . . . A 55 ASN HA . 34447 1 632 . 1 . 1 55 55 ASN HB2 H 1 3.218 0.004 . . . . . . A 55 ASN HB2 . 34447 1 633 . 1 . 1 55 55 ASN HB3 H 1 2.753 0.004 . . . . . . A 55 ASN HB3 . 34447 1 634 . 1 . 1 55 55 ASN HD21 H 1 7.724 0.000 . . . . . . A 55 ASN HD21 . 34447 1 635 . 1 . 1 55 55 ASN HD22 H 1 6.773 0.000 . . . . . . A 55 ASN HD22 . 34447 1 636 . 1 . 1 55 55 ASN C C 13 177.225 0.000 . . . . . . A 55 ASN C . 34447 1 637 . 1 . 1 55 55 ASN CA C 13 57.078 0.030 . . . . . . A 55 ASN CA . 34447 1 638 . 1 . 1 55 55 ASN CB C 13 38.814 0.050 . . . . . . A 55 ASN CB . 34447 1 639 . 1 . 1 55 55 ASN N N 15 119.221 0.000 . . . . . . A 55 ASN N . 34447 1 640 . 1 . 1 55 55 ASN ND2 N 15 106.320 0.006 . . . . . . A 55 ASN ND2 . 34447 1 641 . 1 . 1 56 56 GLN H H 1 8.160 0.000 . . . . . . A 56 GLN H . 34447 1 642 . 1 . 1 56 56 GLN HA H 1 4.083 0.003 . . . . . . A 56 GLN HA . 34447 1 643 . 1 . 1 56 56 GLN HB2 H 1 2.132 0.004 . . . . . . A 56 GLN HB2 . 34447 1 644 . 1 . 1 56 56 GLN HB3 H 1 2.206 0.003 . . . . . . A 56 GLN HB3 . 34447 1 645 . 1 . 1 56 56 GLN HG2 H 1 2.395 0.005 . . . . . . A 56 GLN HG2 . 34447 1 646 . 1 . 1 56 56 GLN HG3 H 1 2.533 0.001 . . . . . . A 56 GLN HG3 . 34447 1 647 . 1 . 1 56 56 GLN HE21 H 1 7.486 0.000 . . . . . . A 56 GLN HE21 . 34447 1 648 . 1 . 1 56 56 GLN HE22 H 1 6.876 0.000 . . . . . . A 56 GLN HE22 . 34447 1 649 . 1 . 1 56 56 GLN C C 13 178.433 0.000 . . . . . . A 56 GLN C . 34447 1 650 . 1 . 1 56 56 GLN CA C 13 58.904 0.082 . . . . . . A 56 GLN CA . 34447 1 651 . 1 . 1 56 56 GLN CB C 13 28.416 0.054 . . . . . . A 56 GLN CB . 34447 1 652 . 1 . 1 56 56 GLN CG C 13 34.066 0.015 . . . . . . A 56 GLN CG . 34447 1 653 . 1 . 1 56 56 GLN N N 15 119.026 0.000 . . . . . . A 56 GLN N . 34447 1 654 . 1 . 1 56 56 GLN NE2 N 15 111.634 0.005 . . . . . . A 56 GLN NE2 . 34447 1 655 . 1 . 1 57 57 ALA H H 1 7.743 0.002 . . . . . . A 57 ALA H . 34447 1 656 . 1 . 1 57 57 ALA HA H 1 4.171 0.000 . . . . . . A 57 ALA HA . 34447 1 657 . 1 . 1 57 57 ALA HB1 H 1 1.505 0.002 . . . . . . A 57 ALA HB1 . 34447 1 658 . 1 . 1 57 57 ALA HB2 H 1 1.505 0.002 . . . . . . A 57 ALA HB2 . 34447 1 659 . 1 . 1 57 57 ALA HB3 H 1 1.505 0.002 . . . . . . A 57 ALA HB3 . 34447 1 660 . 1 . 1 57 57 ALA C C 13 180.907 0.000 . . . . . . A 57 ALA C . 34447 1 661 . 1 . 1 57 57 ALA CA C 13 54.991 0.033 . . . . . . A 57 ALA CA . 34447 1 662 . 1 . 1 57 57 ALA CB C 13 17.846 0.074 . . . . . . A 57 ALA CB . 34447 1 663 . 1 . 1 57 57 ALA N N 15 121.024 0.004 . . . . . . A 57 ALA N . 34447 1 664 . 1 . 1 58 58 LEU H H 1 7.919 0.000 . . . . . . A 58 LEU H . 34447 1 665 . 1 . 1 58 58 LEU HA H 1 4.116 0.001 . . . . . . A 58 LEU HA . 34447 1 666 . 1 . 1 58 58 LEU HB2 H 1 2.050 0.002 . . . . . . A 58 LEU HB2 . 34447 1 667 . 1 . 1 58 58 LEU HB3 H 1 1.393 0.001 . . . . . . A 58 LEU HB3 . 34447 1 668 . 1 . 1 58 58 LEU HG H 1 1.806 0.003 . . . . . . A 58 LEU HG . 34447 1 669 . 1 . 1 58 58 LEU HD11 H 1 0.851 0.004 . . . . . . A 58 LEU HD11 . 34447 1 670 . 1 . 1 58 58 LEU HD12 H 1 0.851 0.004 . . . . . . A 58 LEU HD12 . 34447 1 671 . 1 . 1 58 58 LEU HD13 H 1 0.851 0.004 . . . . . . A 58 LEU HD13 . 34447 1 672 . 1 . 1 58 58 LEU HD21 H 1 0.932 0.003 . . . . . . A 58 LEU HD21 . 34447 1 673 . 1 . 1 58 58 LEU HD22 H 1 0.932 0.003 . . . . . . A 58 LEU HD22 . 34447 1 674 . 1 . 1 58 58 LEU HD23 H 1 0.932 0.003 . . . . . . A 58 LEU HD23 . 34447 1 675 . 1 . 1 58 58 LEU C C 13 179.599 0.000 . . . . . . A 58 LEU C . 34447 1 676 . 1 . 1 58 58 LEU CA C 13 57.477 0.040 . . . . . . A 58 LEU CA . 34447 1 677 . 1 . 1 58 58 LEU CB C 13 43.620 0.030 . . . . . . A 58 LEU CB . 34447 1 678 . 1 . 1 58 58 LEU CG C 13 27.439 0.058 . . . . . . A 58 LEU CG . 34447 1 679 . 1 . 1 58 58 LEU CD1 C 13 23.277 0.040 . . . . . . A 58 LEU CD1 . 34447 1 680 . 1 . 1 58 58 LEU CD2 C 13 26.091 0.062 . . . . . . A 58 LEU CD2 . 34447 1 681 . 1 . 1 58 58 LEU N N 15 119.553 0.000 . . . . . . A 58 LEU N . 34447 1 682 . 1 . 1 59 59 GLU H H 1 8.336 0.000 . . . . . . A 59 GLU H . 34447 1 683 . 1 . 1 59 59 GLU HA H 1 4.053 0.003 . . . . . . A 59 GLU HA . 34447 1 684 . 1 . 1 59 59 GLU HB2 H 1 2.109 0.006 . . . . . . A 59 GLU HB2 . 34447 1 685 . 1 . 1 59 59 GLU HB3 H 1 2.049 0.003 . . . . . . A 59 GLU HB3 . 34447 1 686 . 1 . 1 59 59 GLU HG2 H 1 2.404 0.002 . . . . . . A 59 GLU HG2 . 34447 1 687 . 1 . 1 59 59 GLU HG3 H 1 2.222 0.005 . . . . . . A 59 GLU HG3 . 34447 1 688 . 1 . 1 59 59 GLU C C 13 178.980 0.000 . . . . . . A 59 GLU C . 34447 1 689 . 1 . 1 59 59 GLU CA C 13 59.149 0.030 . . . . . . A 59 GLU CA . 34447 1 690 . 1 . 1 59 59 GLU CB C 13 29.840 0.061 . . . . . . A 59 GLU CB . 34447 1 691 . 1 . 1 59 59 GLU CG C 13 36.474 0.097 . . . . . . A 59 GLU CG . 34447 1 692 . 1 . 1 59 59 GLU N N 15 120.014 0.000 . . . . . . A 59 GLU N . 34447 1 693 . 1 . 1 60 60 GLN H H 1 8.013 0.000 . . . . . . A 60 GLN H . 34447 1 694 . 1 . 1 60 60 GLN HA H 1 4.127 0.002 . . . . . . A 60 GLN HA . 34447 1 695 . 1 . 1 60 60 GLN HB2 H 1 2.142 0.003 . . . . . . A 60 GLN HB2 . 34447 1 696 . 1 . 1 60 60 GLN HB3 H 1 2.142 0.003 . . . . . . A 60 GLN HB3 . 34447 1 697 . 1 . 1 60 60 GLN HG2 H 1 2.466 0.002 . . . . . . A 60 GLN HG2 . 34447 1 698 . 1 . 1 60 60 GLN HG3 H 1 2.514 0.002 . . . . . . A 60 GLN HG3 . 34447 1 699 . 1 . 1 60 60 GLN HE21 H 1 7.565 0.000 . . . . . . A 60 GLN HE21 . 34447 1 700 . 1 . 1 60 60 GLN HE22 H 1 6.857 0.000 . . . . . . A 60 GLN HE22 . 34447 1 701 . 1 . 1 60 60 GLN C C 13 176.961 0.000 . . . . . . A 60 GLN C . 34447 1 702 . 1 . 1 60 60 GLN CA C 13 57.332 0.077 . . . . . . A 60 GLN CA . 34447 1 703 . 1 . 1 60 60 GLN CB C 13 28.528 0.071 . . . . . . A 60 GLN CB . 34447 1 704 . 1 . 1 60 60 GLN CG C 13 33.976 0.047 . . . . . . A 60 GLN CG . 34447 1 705 . 1 . 1 60 60 GLN N N 15 117.684 0.009 . . . . . . A 60 GLN N . 34447 1 706 . 1 . 1 60 60 GLN NE2 N 15 112.189 0.021 . . . . . . A 60 GLN NE2 . 34447 1 707 . 1 . 1 61 61 ALA H H 1 7.658 0.002 . . . . . . A 61 ALA H . 34447 1 708 . 1 . 1 61 61 ALA HA H 1 4.290 0.001 . . . . . . A 61 ALA HA . 34447 1 709 . 1 . 1 61 61 ALA HB1 H 1 1.480 0.001 . . . . . . A 61 ALA HB1 . 34447 1 710 . 1 . 1 61 61 ALA HB2 H 1 1.480 0.001 . . . . . . A 61 ALA HB2 . 34447 1 711 . 1 . 1 61 61 ALA HB3 H 1 1.480 0.001 . . . . . . A 61 ALA HB3 . 34447 1 712 . 1 . 1 61 61 ALA C C 13 178.037 0.000 . . . . . . A 61 ALA C . 34447 1 713 . 1 . 1 61 61 ALA CA C 13 53.112 0.046 . . . . . . A 61 ALA CA . 34447 1 714 . 1 . 1 61 61 ALA CB C 13 18.773 0.052 . . . . . . A 61 ALA CB . 34447 1 715 . 1 . 1 61 61 ALA N N 15 121.623 0.000 . . . . . . A 61 ALA N . 34447 1 716 . 1 . 1 62 62 ARG H H 1 7.741 0.000 . . . . . . A 62 ARG H . 34447 1 717 . 1 . 1 62 62 ARG HA H 1 4.319 0.003 . . . . . . A 62 ARG HA . 34447 1 718 . 1 . 1 62 62 ARG HB2 H 1 1.925 0.004 . . . . . . A 62 ARG HB2 . 34447 1 719 . 1 . 1 62 62 ARG HB3 H 1 1.862 0.007 . . . . . . A 62 ARG HB3 . 34447 1 720 . 1 . 1 62 62 ARG HG2 H 1 1.709 0.006 . . . . . . A 62 ARG HG2 . 34447 1 721 . 1 . 1 62 62 ARG HG3 H 1 1.709 0.006 . . . . . . A 62 ARG HG3 . 34447 1 722 . 1 . 1 62 62 ARG HD2 H 1 3.213 0.003 . . . . . . A 62 ARG HD2 . 34447 1 723 . 1 . 1 62 62 ARG HD3 H 1 3.213 0.003 . . . . . . A 62 ARG HD3 . 34447 1 724 . 1 . 1 62 62 ARG HE H 1 7.319 0.000 . . . . . . A 62 ARG HE . 34447 1 725 . 1 . 1 62 62 ARG C C 13 176.299 0.000 . . . . . . A 62 ARG C . 34447 1 726 . 1 . 1 62 62 ARG CA C 13 56.441 0.095 . . . . . . A 62 ARG CA . 34447 1 727 . 1 . 1 62 62 ARG CB C 13 30.677 0.036 . . . . . . A 62 ARG CB . 34447 1 728 . 1 . 1 62 62 ARG CG C 13 26.964 0.051 . . . . . . A 62 ARG CG . 34447 1 729 . 1 . 1 62 62 ARG CD C 13 43.480 0.058 . . . . . . A 62 ARG CD . 34447 1 730 . 1 . 1 62 62 ARG N N 15 118.438 0.000 . . . . . . A 62 ARG N . 34447 1 731 . 1 . 1 62 62 ARG NE N 15 84.523 0.000 . . . . . . A 62 ARG NE . 34447 1 732 . 1 . 1 63 63 ARG H H 1 8.110 0.000 . . . . . . A 63 ARG H . 34447 1 733 . 1 . 1 63 63 ARG HA H 1 4.389 0.001 . . . . . . A 63 ARG HA . 34447 1 734 . 1 . 1 63 63 ARG HB2 H 1 1.926 0.003 . . . . . . A 63 ARG HB2 . 34447 1 735 . 1 . 1 63 63 ARG HB3 H 1 1.811 0.004 . . . . . . A 63 ARG HB3 . 34447 1 736 . 1 . 1 63 63 ARG HG2 H 1 1.712 0.002 . . . . . . A 63 ARG HG2 . 34447 1 737 . 1 . 1 63 63 ARG HG3 H 1 1.684 0.003 . . . . . . A 63 ARG HG3 . 34447 1 738 . 1 . 1 63 63 ARG HD2 H 1 3.216 0.001 . . . . . . A 63 ARG HD2 . 34447 1 739 . 1 . 1 63 63 ARG HD3 H 1 3.216 0.001 . . . . . . A 63 ARG HD3 . 34447 1 740 . 1 . 1 63 63 ARG HE H 1 7.264 0.000 . . . . . . A 63 ARG HE . 34447 1 741 . 1 . 1 63 63 ARG C C 13 175.379 0.000 . . . . . . A 63 ARG C . 34447 1 742 . 1 . 1 63 63 ARG CA C 13 56.149 0.035 . . . . . . A 63 ARG CA . 34447 1 743 . 1 . 1 63 63 ARG CB C 13 30.952 0.040 . . . . . . A 63 ARG CB . 34447 1 744 . 1 . 1 63 63 ARG CG C 13 27.187 0.053 . . . . . . A 63 ARG CG . 34447 1 745 . 1 . 1 63 63 ARG CD C 13 43.497 0.032 . . . . . . A 63 ARG CD . 34447 1 746 . 1 . 1 63 63 ARG N N 15 122.186 0.000 . . . . . . A 63 ARG N . 34447 1 747 . 1 . 1 63 63 ARG NE N 15 84.958 0.000 . . . . . . A 63 ARG NE . 34447 1 748 . 1 . 1 64 64 GLU H H 1 7.938 0.001 . . . . . . A 64 GLU H . 34447 1 749 . 1 . 1 64 64 GLU HA H 1 4.122 0.001 . . . . . . A 64 GLU HA . 34447 1 750 . 1 . 1 64 64 GLU HB2 H 1 2.052 0.001 . . . . . . A 64 GLU HB2 . 34447 1 751 . 1 . 1 64 64 GLU HB3 H 1 1.906 0.003 . . . . . . A 64 GLU HB3 . 34447 1 752 . 1 . 1 64 64 GLU HG2 H 1 2.226 0.001 . . . . . . A 64 GLU HG2 . 34447 1 753 . 1 . 1 64 64 GLU HG3 H 1 2.226 0.001 . . . . . . A 64 GLU HG3 . 34447 1 754 . 1 . 1 64 64 GLU C C 13 181.074 0.000 . . . . . . A 64 GLU C . 34447 1 755 . 1 . 1 64 64 GLU CA C 13 58.051 0.036 . . . . . . A 64 GLU CA . 34447 1 756 . 1 . 1 64 64 GLU CB C 13 31.135 0.068 . . . . . . A 64 GLU CB . 34447 1 757 . 1 . 1 64 64 GLU CG C 13 36.617 0.030 . . . . . . A 64 GLU CG . 34447 1 758 . 1 . 1 64 64 GLU N N 15 126.946 0.014 . . . . . . A 64 GLU N . 34447 1 759 . 2 . 1 1 1 GLY HA2 H 1 3.974 0.000 . . . . . . B 101 GLY HA2 . 34447 1 760 . 2 . 1 1 1 GLY HA3 H 1 3.974 0.000 . . . . . . B 101 GLY HA3 . 34447 1 761 . 2 . 1 1 1 GLY CA C 13 43.394 0.000 . . . . . . B 101 GLY CA . 34447 1 762 . 2 . 1 2 2 PRO HA H 1 4.461 0.001 . . . . . . B 102 PRO HA . 34447 1 763 . 2 . 1 2 2 PRO HB2 H 1 2.302 0.001 . . . . . . B 102 PRO HB2 . 34447 1 764 . 2 . 1 2 2 PRO HB3 H 1 1.980 0.004 . . . . . . B 102 PRO HB3 . 34447 1 765 . 2 . 1 2 2 PRO HG2 H 1 2.024 0.001 . . . . . . B 102 PRO HG2 . 34447 1 766 . 2 . 1 2 2 PRO HG3 H 1 2.024 0.001 . . . . . . B 102 PRO HG3 . 34447 1 767 . 2 . 1 2 2 PRO HD2 H 1 3.579 0.002 . . . . . . B 102 PRO HD2 . 34447 1 768 . 2 . 1 2 2 PRO HD3 H 1 3.579 0.002 . . . . . . B 102 PRO HD3 . 34447 1 769 . 2 . 1 2 2 PRO CA C 13 63.426 0.040 . . . . . . B 102 PRO CA . 34447 1 770 . 2 . 1 2 2 PRO CB C 13 32.179 0.056 . . . . . . B 102 PRO CB . 34447 1 771 . 2 . 1 2 2 PRO CG C 13 27.111 0.028 . . . . . . B 102 PRO CG . 34447 1 772 . 2 . 1 2 2 PRO CD C 13 49.665 0.028 . . . . . . B 102 PRO CD . 34447 1 773 . 2 . 1 3 3 GLY H H 1 8.637 0.000 . . . . . . B 103 GLY H . 34447 1 774 . 2 . 1 3 3 GLY HA2 H 1 3.950 0.000 . . . . . . B 103 GLY HA2 . 34447 1 775 . 2 . 1 3 3 GLY HA3 H 1 3.950 0.000 . . . . . . B 103 GLY HA3 . 34447 1 776 . 2 . 1 3 3 GLY C C 13 174.050 0.000 . . . . . . B 103 GLY C . 34447 1 777 . 2 . 1 3 3 GLY CA C 13 45.242 0.000 . . . . . . B 103 GLY CA . 34447 1 778 . 2 . 1 3 3 GLY N N 15 110.094 0.000 . . . . . . B 103 GLY N . 34447 1 779 . 2 . 1 4 4 SER H H 1 8.051 0.000 . . . . . . B 104 SER H . 34447 1 780 . 2 . 1 4 4 SER HA H 1 4.406 0.002 . . . . . . B 104 SER HA . 34447 1 781 . 2 . 1 4 4 SER HB2 H 1 3.772 0.002 . . . . . . B 104 SER HB2 . 34447 1 782 . 2 . 1 4 4 SER HB3 H 1 3.772 0.002 . . . . . . B 104 SER HB3 . 34447 1 783 . 2 . 1 4 4 SER C C 13 174.047 0.000 . . . . . . B 104 SER C . 34447 1 784 . 2 . 1 4 4 SER CA C 13 58.232 0.027 . . . . . . B 104 SER CA . 34447 1 785 . 2 . 1 4 4 SER CB C 13 63.859 0.048 . . . . . . B 104 SER CB . 34447 1 786 . 2 . 1 4 4 SER N N 15 115.424 0.000 . . . . . . B 104 SER N . 34447 1 787 . 2 . 1 5 5 TYR H H 1 8.225 0.000 . . . . . . B 105 TYR H . 34447 1 788 . 2 . 1 5 5 TYR HA H 1 4.562 0.001 . . . . . . B 105 TYR HA . 34447 1 789 . 2 . 1 5 5 TYR HB2 H 1 3.030 0.004 . . . . . . B 105 TYR HB2 . 34447 1 790 . 2 . 1 5 5 TYR HB3 H 1 2.895 0.002 . . . . . . B 105 TYR HB3 . 34447 1 791 . 2 . 1 5 5 TYR HD1 H 1 7.071 0.002 . . . . . . B 105 TYR HD1 . 34447 1 792 . 2 . 1 5 5 TYR HD2 H 1 7.071 0.002 . . . . . . B 105 TYR HD2 . 34447 1 793 . 2 . 1 5 5 TYR HE1 H 1 6.785 0.002 . . . . . . B 105 TYR HE1 . 34447 1 794 . 2 . 1 5 5 TYR HE2 H 1 6.785 0.002 . . . . . . B 105 TYR HE2 . 34447 1 795 . 2 . 1 5 5 TYR C C 13 175.271 0.000 . . . . . . B 105 TYR C . 34447 1 796 . 2 . 1 5 5 TYR CA C 13 57.806 0.054 . . . . . . B 105 TYR CA . 34447 1 797 . 2 . 1 5 5 TYR CB C 13 38.760 0.051 . . . . . . B 105 TYR CB . 34447 1 798 . 2 . 1 5 5 TYR CD1 C 13 133.275 0.000 . . . . . . B 105 TYR CD1 . 34447 1 799 . 2 . 1 5 5 TYR CE1 C 13 118.160 0.000 . . . . . . B 105 TYR CE1 . 34447 1 800 . 2 . 1 5 5 TYR N N 15 121.906 0.000 . . . . . . B 105 TYR N . 34447 1 801 . 2 . 1 6 6 ASP H H 1 8.134 0.000 . . . . . . B 106 ASP H . 34447 1 802 . 2 . 1 6 6 ASP HA H 1 4.471 0.003 . . . . . . B 106 ASP HA . 34447 1 803 . 2 . 1 6 6 ASP HB2 H 1 2.630 0.004 . . . . . . B 106 ASP HB2 . 34447 1 804 . 2 . 1 6 6 ASP HB3 H 1 2.552 0.003 . . . . . . B 106 ASP HB3 . 34447 1 805 . 2 . 1 6 6 ASP C C 13 175.704 0.000 . . . . . . B 106 ASP C . 34447 1 806 . 2 . 1 6 6 ASP CA C 13 54.371 0.064 . . . . . . B 106 ASP CA . 34447 1 807 . 2 . 1 6 6 ASP CB C 13 41.293 0.024 . . . . . . B 106 ASP CB . 34447 1 808 . 2 . 1 6 6 ASP N N 15 122.208 0.000 . . . . . . B 106 ASP N . 34447 1 809 . 2 . 1 7 7 ALA H H 1 8.018 0.000 . . . . . . B 107 ALA H . 34447 1 810 . 2 . 1 7 7 ALA HA H 1 4.161 0.002 . . . . . . B 107 ALA HA . 34447 1 811 . 2 . 1 7 7 ALA HB1 H 1 1.352 0.001 . . . . . . B 107 ALA HB1 . 34447 1 812 . 2 . 1 7 7 ALA HB2 H 1 1.352 0.001 . . . . . . B 107 ALA HB2 . 34447 1 813 . 2 . 1 7 7 ALA HB3 H 1 1.352 0.001 . . . . . . B 107 ALA HB3 . 34447 1 814 . 2 . 1 7 7 ALA C C 13 176.931 0.000 . . . . . . B 107 ALA C . 34447 1 815 . 2 . 1 7 7 ALA CA C 13 52.662 0.060 . . . . . . B 107 ALA CA . 34447 1 816 . 2 . 1 7 7 ALA CB C 13 19.019 0.053 . . . . . . B 107 ALA CB . 34447 1 817 . 2 . 1 7 7 ALA N N 15 123.250 0.000 . . . . . . B 107 ALA N . 34447 1 818 . 2 . 1 8 8 ALA H H 1 8.097 0.000 . . . . . . B 108 ALA H . 34447 1 819 . 2 . 1 8 8 ALA HA H 1 4.306 0.002 . . . . . . B 108 ALA HA . 34447 1 820 . 2 . 1 8 8 ALA HB1 H 1 1.330 0.002 . . . . . . B 108 ALA HB1 . 34447 1 821 . 2 . 1 8 8 ALA HB2 H 1 1.330 0.002 . . . . . . B 108 ALA HB2 . 34447 1 822 . 2 . 1 8 8 ALA HB3 H 1 1.330 0.002 . . . . . . B 108 ALA HB3 . 34447 1 823 . 2 . 1 8 8 ALA C C 13 177.662 0.000 . . . . . . B 108 ALA C . 34447 1 824 . 2 . 1 8 8 ALA CA C 13 51.910 0.031 . . . . . . B 108 ALA CA . 34447 1 825 . 2 . 1 8 8 ALA CB C 13 19.175 0.034 . . . . . . B 108 ALA CB . 34447 1 826 . 2 . 1 8 8 ALA N N 15 121.483 0.000 . . . . . . B 108 ALA N . 34447 1 827 . 2 . 1 9 9 LEU H H 1 7.795 0.000 . . . . . . B 109 LEU H . 34447 1 828 . 2 . 1 9 9 LEU HA H 1 4.498 0.004 . . . . . . B 109 LEU HA . 34447 1 829 . 2 . 1 9 9 LEU HB2 H 1 1.622 0.001 . . . . . . B 109 LEU HB2 . 34447 1 830 . 2 . 1 9 9 LEU HB3 H 1 1.397 0.003 . . . . . . B 109 LEU HB3 . 34447 1 831 . 2 . 1 9 9 LEU HG H 1 1.732 0.003 . . . . . . B 109 LEU HG . 34447 1 832 . 2 . 1 9 9 LEU HD11 H 1 0.886 0.003 . . . . . . B 109 LEU HD11 . 34447 1 833 . 2 . 1 9 9 LEU HD12 H 1 0.886 0.003 . . . . . . B 109 LEU HD12 . 34447 1 834 . 2 . 1 9 9 LEU HD13 H 1 0.886 0.003 . . . . . . B 109 LEU HD13 . 34447 1 835 . 2 . 1 9 9 LEU HD21 H 1 0.899 0.002 . . . . . . B 109 LEU HD21 . 34447 1 836 . 2 . 1 9 9 LEU HD22 H 1 0.899 0.002 . . . . . . B 109 LEU HD22 . 34447 1 837 . 2 . 1 9 9 LEU HD23 H 1 0.899 0.002 . . . . . . B 109 LEU HD23 . 34447 1 838 . 2 . 1 9 9 LEU C C 13 182.382 0.000 . . . . . . B 109 LEU C . 34447 1 839 . 2 . 1 9 9 LEU CA C 13 53.353 0.052 . . . . . . B 109 LEU CA . 34447 1 840 . 2 . 1 9 9 LEU CB C 13 42.333 0.024 . . . . . . B 109 LEU CB . 34447 1 841 . 2 . 1 9 9 LEU CG C 13 27.039 0.074 . . . . . . B 109 LEU CG . 34447 1 842 . 2 . 1 9 9 LEU CD1 C 13 23.350 0.040 . . . . . . B 109 LEU CD1 . 34447 1 843 . 2 . 1 9 9 LEU CD2 C 13 25.571 0.077 . . . . . . B 109 LEU CD2 . 34447 1 844 . 2 . 1 9 9 LEU N N 15 122.612 0.000 . . . . . . B 109 LEU N . 34447 1 845 . 2 . 1 10 10 PRO HA H 1 4.512 0.002 . . . . . . B 110 PRO HA . 34447 1 846 . 2 . 1 10 10 PRO HB2 H 1 2.423 0.003 . . . . . . B 110 PRO HB2 . 34447 1 847 . 2 . 1 10 10 PRO HB3 H 1 2.086 0.003 . . . . . . B 110 PRO HB3 . 34447 1 848 . 2 . 1 10 10 PRO HG2 H 1 2.086 0.002 . . . . . . B 110 PRO HG2 . 34447 1 849 . 2 . 1 10 10 PRO HG3 H 1 2.086 0.002 . . . . . . B 110 PRO HG3 . 34447 1 850 . 2 . 1 10 10 PRO HD2 H 1 3.613 0.003 . . . . . . B 110 PRO HD2 . 34447 1 851 . 2 . 1 10 10 PRO HD3 H 1 3.872 0.002 . . . . . . B 110 PRO HD3 . 34447 1 852 . 2 . 1 10 10 PRO CA C 13 62.565 0.038 . . . . . . B 110 PRO CA . 34447 1 853 . 2 . 1 10 10 PRO CB C 13 32.617 0.047 . . . . . . B 110 PRO CB . 34447 1 854 . 2 . 1 10 10 PRO CG C 13 28.091 0.067 . . . . . . B 110 PRO CG . 34447 1 855 . 2 . 1 10 10 PRO CD C 13 50.447 0.035 . . . . . . B 110 PRO CD . 34447 1 856 . 2 . 1 11 11 ILE H H 1 8.712 0.000 . . . . . . B 111 ILE H . 34447 1 857 . 2 . 1 11 11 ILE HA H 1 3.703 0.006 . . . . . . B 111 ILE HA . 34447 1 858 . 2 . 1 11 11 ILE HB H 1 1.860 0.002 . . . . . . B 111 ILE HB . 34447 1 859 . 2 . 1 11 11 ILE HG12 H 1 1.624 0.003 . . . . . . B 111 ILE HG12 . 34447 1 860 . 2 . 1 11 11 ILE HG13 H 1 1.079 0.002 . . . . . . B 111 ILE HG13 . 34447 1 861 . 2 . 1 11 11 ILE HG21 H 1 0.864 0.001 . . . . . . B 111 ILE HG21 . 34447 1 862 . 2 . 1 11 11 ILE HG22 H 1 0.864 0.001 . . . . . . B 111 ILE HG22 . 34447 1 863 . 2 . 1 11 11 ILE HG23 H 1 0.864 0.001 . . . . . . B 111 ILE HG23 . 34447 1 864 . 2 . 1 11 11 ILE HD11 H 1 0.918 0.002 . . . . . . B 111 ILE HD11 . 34447 1 865 . 2 . 1 11 11 ILE HD12 H 1 0.918 0.002 . . . . . . B 111 ILE HD12 . 34447 1 866 . 2 . 1 11 11 ILE HD13 H 1 0.918 0.002 . . . . . . B 111 ILE HD13 . 34447 1 867 . 2 . 1 11 11 ILE C C 13 177.472 0.000 . . . . . . B 111 ILE C . 34447 1 868 . 2 . 1 11 11 ILE CA C 13 65.179 0.049 . . . . . . B 111 ILE CA . 34447 1 869 . 2 . 1 11 11 ILE CB C 13 38.001 0.061 . . . . . . B 111 ILE CB . 34447 1 870 . 2 . 1 11 11 ILE CG1 C 13 29.937 0.027 . . . . . . B 111 ILE CG1 . 34447 1 871 . 2 . 1 11 11 ILE CG2 C 13 17.002 0.049 . . . . . . B 111 ILE CG2 . 34447 1 872 . 2 . 1 11 11 ILE CD1 C 13 13.610 0.036 . . . . . . B 111 ILE CD1 . 34447 1 873 . 2 . 1 11 11 ILE N N 15 120.751 0.000 . . . . . . B 111 ILE N . 34447 1 874 . 2 . 1 12 12 ASP H H 1 8.874 0.004 . . . . . . B 112 ASP H . 34447 1 875 . 2 . 1 12 12 ASP HA H 1 4.316 0.002 . . . . . . B 112 ASP HA . 34447 1 876 . 2 . 1 12 12 ASP HB2 H 1 2.696 0.003 . . . . . . B 112 ASP HB2 . 34447 1 877 . 2 . 1 12 12 ASP HB3 H 1 2.631 0.003 . . . . . . B 112 ASP HB3 . 34447 1 878 . 2 . 1 12 12 ASP C C 13 178.602 0.000 . . . . . . B 112 ASP C . 34447 1 879 . 2 . 1 12 12 ASP CA C 13 57.321 0.033 . . . . . . B 112 ASP CA . 34447 1 880 . 2 . 1 12 12 ASP CB C 13 39.503 0.046 . . . . . . B 112 ASP CB . 34447 1 881 . 2 . 1 12 12 ASP N N 15 120.516 0.006 . . . . . . B 112 ASP N . 34447 1 882 . 2 . 1 13 13 GLU H H 1 7.450 0.000 . . . . . . B 113 GLU H . 34447 1 883 . 2 . 1 13 13 GLU HA H 1 4.198 0.002 . . . . . . B 113 GLU HA . 34447 1 884 . 2 . 1 13 13 GLU HB2 H 1 2.010 0.007 . . . . . . B 113 GLU HB2 . 34447 1 885 . 2 . 1 13 13 GLU HB3 H 1 2.068 0.002 . . . . . . B 113 GLU HB3 . 34447 1 886 . 2 . 1 13 13 GLU HG2 H 1 2.297 0.002 . . . . . . B 113 GLU HG2 . 34447 1 887 . 2 . 1 13 13 GLU HG3 H 1 2.240 0.002 . . . . . . B 113 GLU HG3 . 34447 1 888 . 2 . 1 13 13 GLU C C 13 178.803 0.000 . . . . . . B 113 GLU C . 34447 1 889 . 2 . 1 13 13 GLU CA C 13 59.059 0.033 . . . . . . B 113 GLU CA . 34447 1 890 . 2 . 1 13 13 GLU CB C 13 30.013 0.036 . . . . . . B 113 GLU CB . 34447 1 891 . 2 . 1 13 13 GLU CG C 13 36.288 0.056 . . . . . . B 113 GLU CG . 34447 1 892 . 2 . 1 13 13 GLU N N 15 121.987 0.000 . . . . . . B 113 GLU N . 34447 1 893 . 2 . 1 14 14 LEU H H 1 8.271 0.000 . . . . . . B 114 LEU H . 34447 1 894 . 2 . 1 14 14 LEU HA H 1 3.960 0.001 . . . . . . B 114 LEU HA . 34447 1 895 . 2 . 1 14 14 LEU HB2 H 1 1.817 0.000 . . . . . . B 114 LEU HB2 . 34447 1 896 . 2 . 1 14 14 LEU HB3 H 1 1.363 0.000 . . . . . . B 114 LEU HB3 . 34447 1 897 . 2 . 1 14 14 LEU HG H 1 1.591 0.002 . . . . . . B 114 LEU HG . 34447 1 898 . 2 . 1 14 14 LEU HD11 H 1 0.886 0.001 . . . . . . B 114 LEU HD11 . 34447 1 899 . 2 . 1 14 14 LEU HD12 H 1 0.886 0.001 . . . . . . B 114 LEU HD12 . 34447 1 900 . 2 . 1 14 14 LEU HD13 H 1 0.886 0.001 . . . . . . B 114 LEU HD13 . 34447 1 901 . 2 . 1 14 14 LEU HD21 H 1 0.976 0.001 . . . . . . B 114 LEU HD21 . 34447 1 902 . 2 . 1 14 14 LEU HD22 H 1 0.976 0.001 . . . . . . B 114 LEU HD22 . 34447 1 903 . 2 . 1 14 14 LEU HD23 H 1 0.976 0.001 . . . . . . B 114 LEU HD23 . 34447 1 904 . 2 . 1 14 14 LEU C C 13 178.757 0.000 . . . . . . B 114 LEU C . 34447 1 905 . 2 . 1 14 14 LEU CA C 13 58.155 0.020 . . . . . . B 114 LEU CA . 34447 1 906 . 2 . 1 14 14 LEU CB C 13 43.323 0.042 . . . . . . B 114 LEU CB . 34447 1 907 . 2 . 1 14 14 LEU CG C 13 27.145 0.011 . . . . . . B 114 LEU CG . 34447 1 908 . 2 . 1 14 14 LEU CD1 C 13 24.534 0.038 . . . . . . B 114 LEU CD1 . 34447 1 909 . 2 . 1 14 14 LEU CD2 C 13 26.307 0.031 . . . . . . B 114 LEU CD2 . 34447 1 910 . 2 . 1 14 14 LEU N N 15 120.036 0.003 . . . . . . B 114 LEU N . 34447 1 911 . 2 . 1 15 15 SER H H 1 8.593 0.000 . . . . . . B 115 SER H . 34447 1 912 . 2 . 1 15 15 SER HA H 1 4.027 0.001 . . . . . . B 115 SER HA . 34447 1 913 . 2 . 1 15 15 SER HB2 H 1 3.956 0.002 . . . . . . B 115 SER HB2 . 34447 1 914 . 2 . 1 15 15 SER HB3 H 1 3.792 0.002 . . . . . . B 115 SER HB3 . 34447 1 915 . 2 . 1 15 15 SER C C 13 178.766 0.000 . . . . . . B 115 SER C . 34447 1 916 . 2 . 1 15 15 SER CA C 13 62.164 0.029 . . . . . . B 115 SER CA . 34447 1 917 . 2 . 1 15 15 SER CB C 13 62.538 0.023 . . . . . . B 115 SER CB . 34447 1 918 . 2 . 1 15 15 SER N N 15 113.209 0.000 . . . . . . B 115 SER N . 34447 1 919 . 2 . 1 16 16 ALA H H 1 7.353 0.000 . . . . . . B 116 ALA H . 34447 1 920 . 2 . 1 16 16 ALA HA H 1 4.092 0.002 . . . . . . B 116 ALA HA . 34447 1 921 . 2 . 1 16 16 ALA HB1 H 1 1.515 0.002 . . . . . . B 116 ALA HB1 . 34447 1 922 . 2 . 1 16 16 ALA HB2 H 1 1.515 0.002 . . . . . . B 116 ALA HB2 . 34447 1 923 . 2 . 1 16 16 ALA HB3 H 1 1.515 0.002 . . . . . . B 116 ALA HB3 . 34447 1 924 . 2 . 1 16 16 ALA C C 13 180.632 0.000 . . . . . . B 116 ALA C . 34447 1 925 . 2 . 1 16 16 ALA CA C 13 55.377 0.031 . . . . . . B 116 ALA CA . 34447 1 926 . 2 . 1 16 16 ALA CB C 13 18.002 0.046 . . . . . . B 116 ALA CB . 34447 1 927 . 2 . 1 16 16 ALA N N 15 123.175 0.000 . . . . . . B 116 ALA N . 34447 1 928 . 2 . 1 17 17 LEU H H 1 8.069 0.000 . . . . . . B 117 LEU H . 34447 1 929 . 2 . 1 17 17 LEU HA H 1 4.060 0.004 . . . . . . B 117 LEU HA . 34447 1 930 . 2 . 1 17 17 LEU HB2 H 1 1.968 0.000 . . . . . . B 117 LEU HB2 . 34447 1 931 . 2 . 1 17 17 LEU HB3 H 1 1.450 0.000 . . . . . . B 117 LEU HB3 . 34447 1 932 . 2 . 1 17 17 LEU HG H 1 1.887 0.000 . . . . . . B 117 LEU HG . 34447 1 933 . 2 . 1 17 17 LEU HD11 H 1 0.871 0.000 . . . . . . B 117 LEU HD11 . 34447 1 934 . 2 . 1 17 17 LEU HD12 H 1 0.871 0.000 . . . . . . B 117 LEU HD12 . 34447 1 935 . 2 . 1 17 17 LEU HD13 H 1 0.871 0.000 . . . . . . B 117 LEU HD13 . 34447 1 936 . 2 . 1 17 17 LEU HD21 H 1 0.846 0.001 . . . . . . B 117 LEU HD21 . 34447 1 937 . 2 . 1 17 17 LEU HD22 H 1 0.846 0.001 . . . . . . B 117 LEU HD22 . 34447 1 938 . 2 . 1 17 17 LEU HD23 H 1 0.846 0.001 . . . . . . B 117 LEU HD23 . 34447 1 939 . 2 . 1 17 17 LEU C C 13 180.321 0.000 . . . . . . B 117 LEU C . 34447 1 940 . 2 . 1 17 17 LEU CA C 13 57.879 0.057 . . . . . . B 117 LEU CA . 34447 1 941 . 2 . 1 17 17 LEU CB C 13 42.396 0.086 . . . . . . B 117 LEU CB . 34447 1 942 . 2 . 1 17 17 LEU CG C 13 26.732 0.000 . . . . . . B 117 LEU CG . 34447 1 943 . 2 . 1 17 17 LEU CD1 C 13 22.456 0.017 . . . . . . B 117 LEU CD1 . 34447 1 944 . 2 . 1 17 17 LEU CD2 C 13 25.771 0.010 . . . . . . B 117 LEU CD2 . 34447 1 945 . 2 . 1 17 17 LEU N N 15 119.068 0.000 . . . . . . B 117 LEU N . 34447 1 946 . 2 . 1 18 18 LEU H H 1 8.506 0.000 . . . . . . B 118 LEU H . 34447 1 947 . 2 . 1 18 18 LEU HA H 1 4.001 0.004 . . . . . . B 118 LEU HA . 34447 1 948 . 2 . 1 18 18 LEU HB2 H 1 1.835 0.003 . . . . . . B 118 LEU HB2 . 34447 1 949 . 2 . 1 18 18 LEU HB3 H 1 1.587 0.001 . . . . . . B 118 LEU HB3 . 34447 1 950 . 2 . 1 18 18 LEU HG H 1 1.587 0.001 . . . . . . B 118 LEU HG . 34447 1 951 . 2 . 1 18 18 LEU HD11 H 1 0.880 0.000 . . . . . . B 118 LEU HD11 . 34447 1 952 . 2 . 1 18 18 LEU HD12 H 1 0.880 0.000 . . . . . . B 118 LEU HD12 . 34447 1 953 . 2 . 1 18 18 LEU HD13 H 1 0.880 0.000 . . . . . . B 118 LEU HD13 . 34447 1 954 . 2 . 1 18 18 LEU HD21 H 1 0.901 0.000 . . . . . . B 118 LEU HD21 . 34447 1 955 . 2 . 1 18 18 LEU HD22 H 1 0.901 0.000 . . . . . . B 118 LEU HD22 . 34447 1 956 . 2 . 1 18 18 LEU HD23 H 1 0.901 0.000 . . . . . . B 118 LEU HD23 . 34447 1 957 . 2 . 1 18 18 LEU C C 13 178.369 0.000 . . . . . . B 118 LEU C . 34447 1 958 . 2 . 1 18 18 LEU CA C 13 58.170 0.084 . . . . . . B 118 LEU CA . 34447 1 959 . 2 . 1 18 18 LEU CB C 13 42.475 0.057 . . . . . . B 118 LEU CB . 34447 1 960 . 2 . 1 18 18 LEU CG C 13 28.348 0.018 . . . . . . B 118 LEU CG . 34447 1 961 . 2 . 1 18 18 LEU CD1 C 13 25.071 0.000 . . . . . . B 118 LEU CD1 . 34447 1 962 . 2 . 1 18 18 LEU CD2 C 13 25.227 0.000 . . . . . . B 118 LEU CD2 . 34447 1 963 . 2 . 1 18 18 LEU N N 15 121.777 0.000 . . . . . . B 118 LEU N . 34447 1 964 . 2 . 1 19 19 ARG H H 1 8.344 0.000 . . . . . . B 119 ARG H . 34447 1 965 . 2 . 1 19 19 ARG HA H 1 3.853 0.003 . . . . . . B 119 ARG HA . 34447 1 966 . 2 . 1 19 19 ARG HB2 H 1 1.912 0.003 . . . . . . B 119 ARG HB2 . 34447 1 967 . 2 . 1 19 19 ARG HB3 H 1 1.912 0.003 . . . . . . B 119 ARG HB3 . 34447 1 968 . 2 . 1 19 19 ARG HG2 H 1 1.543 0.000 . . . . . . B 119 ARG HG2 . 34447 1 969 . 2 . 1 19 19 ARG HG3 H 1 1.543 0.000 . . . . . . B 119 ARG HG3 . 34447 1 970 . 2 . 1 19 19 ARG HD2 H 1 3.157 0.007 . . . . . . B 119 ARG HD2 . 34447 1 971 . 2 . 1 19 19 ARG HD3 H 1 3.098 0.003 . . . . . . B 119 ARG HD3 . 34447 1 972 . 2 . 1 19 19 ARG HE H 1 7.265 0.000 . . . . . . B 119 ARG HE . 34447 1 973 . 2 . 1 19 19 ARG C C 13 179.275 0.000 . . . . . . B 119 ARG C . 34447 1 974 . 2 . 1 19 19 ARG CA C 13 60.708 0.043 . . . . . . B 119 ARG CA . 34447 1 975 . 2 . 1 19 19 ARG CB C 13 29.749 0.055 . . . . . . B 119 ARG CB . 34447 1 976 . 2 . 1 19 19 ARG CG C 13 29.558 0.030 . . . . . . B 119 ARG CG . 34447 1 977 . 2 . 1 19 19 ARG CD C 13 43.482 0.027 . . . . . . B 119 ARG CD . 34447 1 978 . 2 . 1 19 19 ARG N N 15 118.275 0.000 . . . . . . B 119 ARG N . 34447 1 979 . 2 . 1 19 19 ARG NE N 15 84.892 0.000 . . . . . . B 119 ARG NE . 34447 1 980 . 2 . 1 20 20 GLN H H 1 8.010 0.000 . . . . . . B 120 GLN H . 34447 1 981 . 2 . 1 20 20 GLN HA H 1 4.080 0.001 . . . . . . B 120 GLN HA . 34447 1 982 . 2 . 1 20 20 GLN HB2 H 1 2.186 0.000 . . . . . . B 120 GLN HB2 . 34447 1 983 . 2 . 1 20 20 GLN HB3 H 1 2.186 0.000 . . . . . . B 120 GLN HB3 . 34447 1 984 . 2 . 1 20 20 GLN HG2 H 1 2.473 0.001 . . . . . . B 120 GLN HG2 . 34447 1 985 . 2 . 1 20 20 GLN HG3 H 1 2.375 0.000 . . . . . . B 120 GLN HG3 . 34447 1 986 . 2 . 1 20 20 GLN HE21 H 1 7.441 0.000 . . . . . . B 120 GLN HE21 . 34447 1 987 . 2 . 1 20 20 GLN HE22 H 1 6.799 0.000 . . . . . . B 120 GLN HE22 . 34447 1 988 . 2 . 1 20 20 GLN C C 13 179.319 0.000 . . . . . . B 120 GLN C . 34447 1 989 . 2 . 1 20 20 GLN CA C 13 58.758 0.132 . . . . . . B 120 GLN CA . 34447 1 990 . 2 . 1 20 20 GLN CB C 13 28.495 0.023 . . . . . . B 120 GLN CB . 34447 1 991 . 2 . 1 20 20 GLN CG C 13 34.074 0.039 . . . . . . B 120 GLN CG . 34447 1 992 . 2 . 1 20 20 GLN N N 15 118.174 0.000 . . . . . . B 120 GLN N . 34447 1 993 . 2 . 1 20 20 GLN NE2 N 15 111.129 0.006 . . . . . . B 120 GLN NE2 . 34447 1 994 . 2 . 1 21 21 GLU H H 1 8.084 0.000 . . . . . . B 121 GLU H . 34447 1 995 . 2 . 1 21 21 GLU HA H 1 3.945 0.003 . . . . . . B 121 GLU HA . 34447 1 996 . 2 . 1 21 21 GLU HB2 H 1 2.166 0.005 . . . . . . B 121 GLU HB2 . 34447 1 997 . 2 . 1 21 21 GLU HB3 H 1 2.042 0.008 . . . . . . B 121 GLU HB3 . 34447 1 998 . 2 . 1 21 21 GLU HG2 H 1 2.335 0.004 . . . . . . B 121 GLU HG2 . 34447 1 999 . 2 . 1 21 21 GLU HG3 H 1 2.028 0.004 . . . . . . B 121 GLU HG3 . 34447 1 1000 . 2 . 1 21 21 GLU C C 13 177.722 0.000 . . . . . . B 121 GLU C . 34447 1 1001 . 2 . 1 21 21 GLU CA C 13 57.988 0.058 . . . . . . B 121 GLU CA . 34447 1 1002 . 2 . 1 21 21 GLU CB C 13 29.811 0.070 . . . . . . B 121 GLU CB . 34447 1 1003 . 2 . 1 21 21 GLU CG C 13 35.984 0.093 . . . . . . B 121 GLU CG . 34447 1 1004 . 2 . 1 21 21 GLU N N 15 119.905 0.000 . . . . . . B 121 GLU N . 34447 1 1005 . 2 . 1 22 22 MET H H 1 7.670 0.000 . . . . . . B 122 MET H . 34447 1 1006 . 2 . 1 22 22 MET HA H 1 4.439 0.004 . . . . . . B 122 MET HA . 34447 1 1007 . 2 . 1 22 22 MET HB2 H 1 2.107 0.003 . . . . . . B 122 MET HB2 . 34447 1 1008 . 2 . 1 22 22 MET HB3 H 1 2.107 0.003 . . . . . . B 122 MET HB3 . 34447 1 1009 . 2 . 1 22 22 MET HG2 H 1 2.393 0.003 . . . . . . B 122 MET HG2 . 34447 1 1010 . 2 . 1 22 22 MET HG3 H 1 2.681 0.003 . . . . . . B 122 MET HG3 . 34447 1 1011 . 2 . 1 22 22 MET HE1 H 1 1.937 0.000 . . . . . . B 122 MET HE1 . 34447 1 1012 . 2 . 1 22 22 MET HE2 H 1 1.937 0.000 . . . . . . B 122 MET HE2 . 34447 1 1013 . 2 . 1 22 22 MET HE3 H 1 1.937 0.000 . . . . . . B 122 MET HE3 . 34447 1 1014 . 2 . 1 22 22 MET C C 13 176.241 0.000 . . . . . . B 122 MET C . 34447 1 1015 . 2 . 1 22 22 MET CA C 13 56.111 0.060 . . . . . . B 122 MET CA . 34447 1 1016 . 2 . 1 22 22 MET CB C 13 34.192 0.048 . . . . . . B 122 MET CB . 34447 1 1017 . 2 . 1 22 22 MET CG C 13 32.824 0.076 . . . . . . B 122 MET CG . 34447 1 1018 . 2 . 1 22 22 MET CE C 13 17.393 0.000 . . . . . . B 122 MET CE . 34447 1 1019 . 2 . 1 22 22 MET N N 15 114.152 0.000 . . . . . . B 122 MET N . 34447 1 1020 . 2 . 1 23 23 GLY H H 1 7.777 0.000 . . . . . . B 123 GLY H . 34447 1 1021 . 2 . 1 23 23 GLY HA2 H 1 3.810 0.001 . . . . . . B 123 GLY HA2 . 34447 1 1022 . 2 . 1 23 23 GLY HA3 H 1 4.060 0.003 . . . . . . B 123 GLY HA3 . 34447 1 1023 . 2 . 1 23 23 GLY C C 13 173.854 0.000 . . . . . . B 123 GLY C . 34447 1 1024 . 2 . 1 23 23 GLY CA C 13 45.971 0.019 . . . . . . B 123 GLY CA . 34447 1 1025 . 2 . 1 23 23 GLY N N 15 108.761 0.000 . . . . . . B 123 GLY N . 34447 1 1026 . 2 . 1 24 24 ASP H H 1 8.174 0.000 . . . . . . B 124 ASP H . 34447 1 1027 . 2 . 1 24 24 ASP HA H 1 4.674 0.003 . . . . . . B 124 ASP HA . 34447 1 1028 . 2 . 1 24 24 ASP HB2 H 1 2.653 0.003 . . . . . . B 124 ASP HB2 . 34447 1 1029 . 2 . 1 24 24 ASP HB3 H 1 2.440 0.003 . . . . . . B 124 ASP HB3 . 34447 1 1030 . 2 . 1 24 24 ASP C C 13 175.685 0.000 . . . . . . B 124 ASP C . 34447 1 1031 . 2 . 1 24 24 ASP CA C 13 53.651 0.094 . . . . . . B 124 ASP CA . 34447 1 1032 . 2 . 1 24 24 ASP CB C 13 42.273 0.059 . . . . . . B 124 ASP CB . 34447 1 1033 . 2 . 1 24 24 ASP N N 15 120.477 0.000 . . . . . . B 124 ASP N . 34447 1 1034 . 2 . 1 25 25 ASP H H 1 8.387 0.000 . . . . . . B 125 ASP H . 34447 1 1035 . 2 . 1 25 25 ASP HA H 1 4.571 0.003 . . . . . . B 125 ASP HA . 34447 1 1036 . 2 . 1 25 25 ASP HB2 H 1 2.717 0.007 . . . . . . B 125 ASP HB2 . 34447 1 1037 . 2 . 1 25 25 ASP HB3 H 1 2.642 0.003 . . . . . . B 125 ASP HB3 . 34447 1 1038 . 2 . 1 25 25 ASP C C 13 177.167 0.000 . . . . . . B 125 ASP C . 34447 1 1039 . 2 . 1 25 25 ASP CA C 13 54.076 0.075 . . . . . . B 125 ASP CA . 34447 1 1040 . 2 . 1 25 25 ASP CB C 13 41.169 0.038 . . . . . . B 125 ASP CB . 34447 1 1041 . 2 . 1 25 25 ASP N N 15 122.805 0.000 . . . . . . B 125 ASP N . 34447 1 1042 . 2 . 1 26 26 GLY H H 1 8.558 0.000 . . . . . . B 126 GLY H . 34447 1 1043 . 2 . 1 26 26 GLY HA2 H 1 3.939 0.000 . . . . . . B 126 GLY HA2 . 34447 1 1044 . 2 . 1 26 26 GLY HA3 H 1 3.939 0.000 . . . . . . B 126 GLY HA3 . 34447 1 1045 . 2 . 1 26 26 GLY C C 13 175.071 0.000 . . . . . . B 126 GLY C . 34447 1 1046 . 2 . 1 26 26 GLY CA C 13 45.699 0.000 . . . . . . B 126 GLY CA . 34447 1 1047 . 2 . 1 26 26 GLY N N 15 109.384 0.000 . . . . . . B 126 GLY N . 34447 1 1048 . 2 . 1 27 27 GLY H H 1 8.390 0.000 . . . . . . B 127 GLY H . 34447 1 1049 . 2 . 1 27 27 GLY HA2 H 1 3.936 0.000 . . . . . . B 127 GLY HA2 . 34447 1 1050 . 2 . 1 27 27 GLY HA3 H 1 3.936 0.000 . . . . . . B 127 GLY HA3 . 34447 1 1051 . 2 . 1 27 27 GLY C C 13 174.850 0.000 . . . . . . B 127 GLY C . 34447 1 1052 . 2 . 1 27 27 GLY CA C 13 45.462 0.074 . . . . . . B 127 GLY CA . 34447 1 1053 . 2 . 1 27 27 GLY N N 15 108.592 0.000 . . . . . . B 127 GLY N . 34447 1 1054 . 2 . 1 28 28 GLY H H 1 8.364 0.000 . . . . . . B 128 GLY H . 34447 1 1055 . 2 . 1 28 28 GLY HA2 H 1 3.984 0.000 . . . . . . B 128 GLY HA2 . 34447 1 1056 . 2 . 1 28 28 GLY HA3 H 1 3.984 0.000 . . . . . . B 128 GLY HA3 . 34447 1 1057 . 2 . 1 28 28 GLY C C 13 174.430 0.000 . . . . . . B 128 GLY C . 34447 1 1058 . 2 . 1 28 28 GLY CA C 13 45.282 0.020 . . . . . . B 128 GLY CA . 34447 1 1059 . 2 . 1 28 28 GLY N N 15 108.836 0.000 . . . . . . B 128 GLY N . 34447 1 1060 . 2 . 1 29 29 SER H H 1 8.412 0.000 . . . . . . B 129 SER H . 34447 1 1061 . 2 . 1 29 29 SER HA H 1 4.467 0.001 . . . . . . B 129 SER HA . 34447 1 1062 . 2 . 1 29 29 SER HB2 H 1 3.893 0.001 . . . . . . B 129 SER HB2 . 34447 1 1063 . 2 . 1 29 29 SER HB3 H 1 3.854 0.001 . . . . . . B 129 SER HB3 . 34447 1 1064 . 2 . 1 29 29 SER CA C 13 58.549 0.035 . . . . . . B 129 SER CA . 34447 1 1065 . 2 . 1 29 29 SER CB C 13 64.102 0.040 . . . . . . B 129 SER CB . 34447 1 1066 . 2 . 1 29 29 SER N N 15 115.763 0.000 . . . . . . B 129 SER N . 34447 1 1067 . 2 . 1 30 30 GLY H H 1 8.605 0.000 . . . . . . B 130 GLY H . 34447 1 1068 . 2 . 1 30 30 GLY HA2 H 1 3.966 0.000 . . . . . . B 130 GLY HA2 . 34447 1 1069 . 2 . 1 30 30 GLY HA3 H 1 3.966 0.000 . . . . . . B 130 GLY HA3 . 34447 1 1070 . 2 . 1 30 30 GLY C C 13 174.804 0.000 . . . . . . B 130 GLY C . 34447 1 1071 . 2 . 1 30 30 GLY CA C 13 45.477 0.000 . . . . . . B 130 GLY CA . 34447 1 1072 . 2 . 1 30 30 GLY N N 15 111.119 0.000 . . . . . . B 130 GLY N . 34447 1 1073 . 2 . 1 31 31 GLY H H 1 8.400 0.000 . . . . . . B 131 GLY H . 34447 1 1074 . 2 . 1 31 31 GLY HA2 H 1 3.949 0.002 . . . . . . B 131 GLY HA2 . 34447 1 1075 . 2 . 1 31 31 GLY HA3 H 1 3.949 0.002 . . . . . . B 131 GLY HA3 . 34447 1 1076 . 2 . 1 31 31 GLY CA C 13 45.542 0.052 . . . . . . B 131 GLY CA . 34447 1 1077 . 2 . 1 31 31 GLY N N 15 109.044 0.000 . . . . . . B 131 GLY N . 34447 1 1078 . 2 . 1 32 32 GLY H H 1 8.632 0.000 . . . . . . B 132 GLY H . 34447 1 1079 . 2 . 1 32 32 GLY HA2 H 1 3.984 0.001 . . . . . . B 132 GLY HA2 . 34447 1 1080 . 2 . 1 32 32 GLY HA3 H 1 3.984 0.001 . . . . . . B 132 GLY HA3 . 34447 1 1081 . 2 . 1 32 32 GLY C C 13 174.365 0.000 . . . . . . B 132 GLY C . 34447 1 1082 . 2 . 1 32 32 GLY CA C 13 45.396 0.089 . . . . . . B 132 GLY CA . 34447 1 1083 . 2 . 1 32 32 GLY N N 15 109.378 0.000 . . . . . . B 132 GLY N . 34447 1 1084 . 2 . 1 33 33 SER H H 1 8.371 0.000 . . . . . . B 133 SER H . 34447 1 1085 . 2 . 1 33 33 SER HA H 1 4.502 0.002 . . . . . . B 133 SER HA . 34447 1 1086 . 2 . 1 33 33 SER HB2 H 1 3.981 0.002 . . . . . . B 133 SER HB2 . 34447 1 1087 . 2 . 1 33 33 SER HB3 H 1 4.145 0.002 . . . . . . B 133 SER HB3 . 34447 1 1088 . 2 . 1 33 33 SER C C 13 175.282 0.000 . . . . . . B 133 SER C . 34447 1 1089 . 2 . 1 33 33 SER CA C 13 58.369 0.075 . . . . . . B 133 SER CA . 34447 1 1090 . 2 . 1 33 33 SER CB C 13 64.762 0.078 . . . . . . B 133 SER CB . 34447 1 1091 . 2 . 1 33 33 SER N N 15 116.076 0.000 . . . . . . B 133 SER N . 34447 1 1092 . 2 . 1 34 34 MET H H 1 8.861 0.000 . . . . . . B 134 MET H . 34447 1 1093 . 2 . 1 34 34 MET HA H 1 4.376 0.002 . . . . . . B 134 MET HA . 34447 1 1094 . 2 . 1 34 34 MET HB2 H 1 2.055 0.001 . . . . . . B 134 MET HB2 . 34447 1 1095 . 2 . 1 34 34 MET HB3 H 1 2.115 0.003 . . . . . . B 134 MET HB3 . 34447 1 1096 . 2 . 1 34 34 MET HG2 H 1 2.606 0.006 . . . . . . B 134 MET HG2 . 34447 1 1097 . 2 . 1 34 34 MET HG3 H 1 2.713 0.005 . . . . . . B 134 MET HG3 . 34447 1 1098 . 2 . 1 34 34 MET HE1 H 1 2.069 0.000 . . . . . . B 134 MET HE1 . 34447 1 1099 . 2 . 1 34 34 MET HE2 H 1 2.069 0.000 . . . . . . B 134 MET HE2 . 34447 1 1100 . 2 . 1 34 34 MET HE3 H 1 2.069 0.000 . . . . . . B 134 MET HE3 . 34447 1 1101 . 2 . 1 34 34 MET C C 13 177.950 0.000 . . . . . . B 134 MET C . 34447 1 1102 . 2 . 1 34 34 MET CA C 13 57.273 0.063 . . . . . . B 134 MET CA . 34447 1 1103 . 2 . 1 34 34 MET CB C 13 31.343 0.043 . . . . . . B 134 MET CB . 34447 1 1104 . 2 . 1 34 34 MET CG C 13 32.331 0.022 . . . . . . B 134 MET CG . 34447 1 1105 . 2 . 1 34 34 MET CE C 13 16.889 0.000 . . . . . . B 134 MET CE . 34447 1 1106 . 2 . 1 34 34 MET N N 15 120.902 0.000 . . . . . . B 134 MET N . 34447 1 1107 . 2 . 1 35 35 GLN H H 1 8.298 0.000 . . . . . . B 135 GLN H . 34447 1 1108 . 2 . 1 35 35 GLN HA H 1 4.176 0.002 . . . . . . B 135 GLN HA . 34447 1 1109 . 2 . 1 35 35 GLN HB2 H 1 2.019 0.002 . . . . . . B 135 GLN HB2 . 34447 1 1110 . 2 . 1 35 35 GLN HB3 H 1 2.019 0.002 . . . . . . B 135 GLN HB3 . 34447 1 1111 . 2 . 1 35 35 GLN HG2 H 1 2.387 0.002 . . . . . . B 135 GLN HG2 . 34447 1 1112 . 2 . 1 35 35 GLN HG3 H 1 2.387 0.002 . . . . . . B 135 GLN HG3 . 34447 1 1113 . 2 . 1 35 35 GLN HE21 H 1 7.549 0.000 . . . . . . B 135 GLN HE21 . 34447 1 1114 . 2 . 1 35 35 GLN HE22 H 1 6.859 0.000 . . . . . . B 135 GLN HE22 . 34447 1 1115 . 2 . 1 35 35 GLN C C 13 177.687 0.000 . . . . . . B 135 GLN C . 34447 1 1116 . 2 . 1 35 35 GLN CA C 13 58.739 0.033 . . . . . . B 135 GLN CA . 34447 1 1117 . 2 . 1 35 35 GLN CB C 13 28.391 0.109 . . . . . . B 135 GLN CB . 34447 1 1118 . 2 . 1 35 35 GLN CG C 13 34.350 0.029 . . . . . . B 135 GLN CG . 34447 1 1119 . 2 . 1 35 35 GLN N N 15 119.300 0.000 . . . . . . B 135 GLN N . 34447 1 1120 . 2 . 1 35 35 GLN NE2 N 15 112.097 0.005 . . . . . . B 135 GLN NE2 . 34447 1 1121 . 2 . 1 36 36 ASP H H 1 7.812 0.000 . . . . . . B 136 ASP H . 34447 1 1122 . 2 . 1 36 36 ASP HA H 1 4.451 0.004 . . . . . . B 136 ASP HA . 34447 1 1123 . 2 . 1 36 36 ASP HB2 H 1 2.818 0.004 . . . . . . B 136 ASP HB2 . 34447 1 1124 . 2 . 1 36 36 ASP HB3 H 1 2.694 0.003 . . . . . . B 136 ASP HB3 . 34447 1 1125 . 2 . 1 36 36 ASP C C 13 178.282 0.000 . . . . . . B 136 ASP C . 34447 1 1126 . 2 . 1 36 36 ASP CA C 13 56.642 0.065 . . . . . . B 136 ASP CA . 34447 1 1127 . 2 . 1 36 36 ASP CB C 13 41.155 0.063 . . . . . . B 136 ASP CB . 34447 1 1128 . 2 . 1 36 36 ASP N N 15 120.646 0.000 . . . . . . B 136 ASP N . 34447 1 1129 . 2 . 1 37 37 ILE H H 1 8.107 0.000 . . . . . . B 137 ILE H . 34447 1 1130 . 2 . 1 37 37 ILE HA H 1 3.680 0.002 . . . . . . B 137 ILE HA . 34447 1 1131 . 2 . 1 37 37 ILE HB H 1 2.082 0.003 . . . . . . B 137 ILE HB . 34447 1 1132 . 2 . 1 37 37 ILE HG12 H 1 1.214 0.004 . . . . . . B 137 ILE HG12 . 34447 1 1133 . 2 . 1 37 37 ILE HG13 H 1 1.630 0.004 . . . . . . B 137 ILE HG13 . 34447 1 1134 . 2 . 1 37 37 ILE HG21 H 1 0.881 0.001 . . . . . . B 137 ILE HG21 . 34447 1 1135 . 2 . 1 37 37 ILE HG22 H 1 0.881 0.001 . . . . . . B 137 ILE HG22 . 34447 1 1136 . 2 . 1 37 37 ILE HG23 H 1 0.881 0.001 . . . . . . B 137 ILE HG23 . 34447 1 1137 . 2 . 1 37 37 ILE HD11 H 1 0.803 0.001 . . . . . . B 137 ILE HD11 . 34447 1 1138 . 2 . 1 37 37 ILE HD12 H 1 0.803 0.001 . . . . . . B 137 ILE HD12 . 34447 1 1139 . 2 . 1 37 37 ILE HD13 H 1 0.803 0.001 . . . . . . B 137 ILE HD13 . 34447 1 1140 . 2 . 1 37 37 ILE C C 13 177.397 0.000 . . . . . . B 137 ILE C . 34447 1 1141 . 2 . 1 37 37 ILE CA C 13 64.199 0.038 . . . . . . B 137 ILE CA . 34447 1 1142 . 2 . 1 37 37 ILE CB C 13 37.168 0.043 . . . . . . B 137 ILE CB . 34447 1 1143 . 2 . 1 37 37 ILE CG1 C 13 28.936 0.040 . . . . . . B 137 ILE CG1 . 34447 1 1144 . 2 . 1 37 37 ILE CG2 C 13 18.258 0.055 . . . . . . B 137 ILE CG2 . 34447 1 1145 . 2 . 1 37 37 ILE CD1 C 13 12.266 0.054 . . . . . . B 137 ILE CD1 . 34447 1 1146 . 2 . 1 37 37 ILE N N 15 121.104 0.000 . . . . . . B 137 ILE N . 34447 1 1147 . 2 . 1 38 38 GLN H H 1 8.489 0.000 . . . . . . B 138 GLN H . 34447 1 1148 . 2 . 1 38 38 GLN HA H 1 3.697 0.003 . . . . . . B 138 GLN HA . 34447 1 1149 . 2 . 1 38 38 GLN HB2 H 1 2.394 0.003 . . . . . . B 138 GLN HB2 . 34447 1 1150 . 2 . 1 38 38 GLN HB3 H 1 2.105 0.004 . . . . . . B 138 GLN HB3 . 34447 1 1151 . 2 . 1 38 38 GLN HG2 H 1 2.265 0.001 . . . . . . B 138 GLN HG2 . 34447 1 1152 . 2 . 1 38 38 GLN HG3 H 1 2.394 0.002 . . . . . . B 138 GLN HG3 . 34447 1 1153 . 2 . 1 38 38 GLN HE21 H 1 7.572 0.000 . . . . . . B 138 GLN HE21 . 34447 1 1154 . 2 . 1 38 38 GLN HE22 H 1 6.733 0.000 . . . . . . B 138 GLN HE22 . 34447 1 1155 . 2 . 1 38 38 GLN C C 13 177.785 0.000 . . . . . . B 138 GLN C . 34447 1 1156 . 2 . 1 38 38 GLN CA C 13 60.562 0.068 . . . . . . B 138 GLN CA . 34447 1 1157 . 2 . 1 38 38 GLN CB C 13 28.376 0.086 . . . . . . B 138 GLN CB . 34447 1 1158 . 2 . 1 38 38 GLN CG C 13 34.200 0.040 . . . . . . B 138 GLN CG . 34447 1 1159 . 2 . 1 38 38 GLN N N 15 120.595 0.000 . . . . . . B 138 GLN N . 34447 1 1160 . 2 . 1 38 38 GLN NE2 N 15 111.722 0.011 . . . . . . B 138 GLN NE2 . 34447 1 1161 . 2 . 1 39 39 GLN H H 1 7.885 0.000 . . . . . . B 139 GLN H . 34447 1 1162 . 2 . 1 39 39 GLN HA H 1 4.011 0.004 . . . . . . B 139 GLN HA . 34447 1 1163 . 2 . 1 39 39 GLN HB2 H 1 2.136 0.003 . . . . . . B 139 GLN HB2 . 34447 1 1164 . 2 . 1 39 39 GLN HB3 H 1 2.205 0.001 . . . . . . B 139 GLN HB3 . 34447 1 1165 . 2 . 1 39 39 GLN HG2 H 1 2.577 0.003 . . . . . . B 139 GLN HG2 . 34447 1 1166 . 2 . 1 39 39 GLN HG3 H 1 2.396 0.004 . . . . . . B 139 GLN HG3 . 34447 1 1167 . 2 . 1 39 39 GLN HE21 H 1 7.540 0.000 . . . . . . B 139 GLN HE21 . 34447 1 1168 . 2 . 1 39 39 GLN HE22 H 1 6.900 0.000 . . . . . . B 139 GLN HE22 . 34447 1 1169 . 2 . 1 39 39 GLN C C 13 178.636 0.000 . . . . . . B 139 GLN C . 34447 1 1170 . 2 . 1 39 39 GLN CA C 13 58.978 0.017 . . . . . . B 139 GLN CA . 34447 1 1171 . 2 . 1 39 39 GLN CB C 13 28.379 0.087 . . . . . . B 139 GLN CB . 34447 1 1172 . 2 . 1 39 39 GLN CG C 13 34.225 0.031 . . . . . . B 139 GLN CG . 34447 1 1173 . 2 . 1 39 39 GLN N N 15 116.863 0.000 . . . . . . B 139 GLN N . 34447 1 1174 . 2 . 1 39 39 GLN NE2 N 15 111.981 0.004 . . . . . . B 139 GLN NE2 . 34447 1 1175 . 2 . 1 40 40 LEU H H 1 8.167 0.000 . . . . . . B 140 LEU H . 34447 1 1176 . 2 . 1 40 40 LEU HA H 1 4.074 0.006 . . . . . . B 140 LEU HA . 34447 1 1177 . 2 . 1 40 40 LEU HB2 H 1 1.803 0.004 . . . . . . B 140 LEU HB2 . 34447 1 1178 . 2 . 1 40 40 LEU HB3 H 1 1.671 0.001 . . . . . . B 140 LEU HB3 . 34447 1 1179 . 2 . 1 40 40 LEU HG H 1 1.610 0.000 . . . . . . B 140 LEU HG . 34447 1 1180 . 2 . 1 40 40 LEU HD11 H 1 0.873 0.001 . . . . . . B 140 LEU HD11 . 34447 1 1181 . 2 . 1 40 40 LEU HD12 H 1 0.873 0.001 . . . . . . B 140 LEU HD12 . 34447 1 1182 . 2 . 1 40 40 LEU HD13 H 1 0.873 0.001 . . . . . . B 140 LEU HD13 . 34447 1 1183 . 2 . 1 40 40 LEU HD21 H 1 0.905 0.001 . . . . . . B 140 LEU HD21 . 34447 1 1184 . 2 . 1 40 40 LEU HD22 H 1 0.905 0.001 . . . . . . B 140 LEU HD22 . 34447 1 1185 . 2 . 1 40 40 LEU HD23 H 1 0.905 0.001 . . . . . . B 140 LEU HD23 . 34447 1 1186 . 2 . 1 40 40 LEU C C 13 180.571 0.000 . . . . . . B 140 LEU C . 34447 1 1187 . 2 . 1 40 40 LEU CA C 13 57.851 0.094 . . . . . . B 140 LEU CA . 34447 1 1188 . 2 . 1 40 40 LEU CB C 13 42.378 0.024 . . . . . . B 140 LEU CB . 34447 1 1189 . 2 . 1 40 40 LEU CG C 13 26.961 0.000 . . . . . . B 140 LEU CG . 34447 1 1190 . 2 . 1 40 40 LEU CD1 C 13 24.562 0.000 . . . . . . B 140 LEU CD1 . 34447 1 1191 . 2 . 1 40 40 LEU CD2 C 13 25.496 0.042 . . . . . . B 140 LEU CD2 . 34447 1 1192 . 2 . 1 40 40 LEU N N 15 121.259 0.000 . . . . . . B 140 LEU N . 34447 1 1193 . 2 . 1 41 41 LEU H H 1 8.765 0.000 . . . . . . B 141 LEU H . 34447 1 1194 . 2 . 1 41 41 LEU HA H 1 3.947 0.002 . . . . . . B 141 LEU HA . 34447 1 1195 . 2 . 1 41 41 LEU HB2 H 1 2.087 0.004 . . . . . . B 141 LEU HB2 . 34447 1 1196 . 2 . 1 41 41 LEU HB3 H 1 1.217 0.004 . . . . . . B 141 LEU HB3 . 34447 1 1197 . 2 . 1 41 41 LEU HG H 1 1.877 0.002 . . . . . . B 141 LEU HG . 34447 1 1198 . 2 . 1 41 41 LEU HD11 H 1 0.689 0.002 . . . . . . B 141 LEU HD11 . 34447 1 1199 . 2 . 1 41 41 LEU HD12 H 1 0.689 0.002 . . . . . . B 141 LEU HD12 . 34447 1 1200 . 2 . 1 41 41 LEU HD13 H 1 0.689 0.002 . . . . . . B 141 LEU HD13 . 34447 1 1201 . 2 . 1 41 41 LEU HD21 H 1 0.800 0.002 . . . . . . B 141 LEU HD21 . 34447 1 1202 . 2 . 1 41 41 LEU HD22 H 1 0.800 0.002 . . . . . . B 141 LEU HD22 . 34447 1 1203 . 2 . 1 41 41 LEU HD23 H 1 0.800 0.002 . . . . . . B 141 LEU HD23 . 34447 1 1204 . 2 . 1 41 41 LEU C C 13 178.336 0.000 . . . . . . B 141 LEU C . 34447 1 1205 . 2 . 1 41 41 LEU CA C 13 58.047 0.067 . . . . . . B 141 LEU CA . 34447 1 1206 . 2 . 1 41 41 LEU CB C 13 42.316 0.028 . . . . . . B 141 LEU CB . 34447 1 1207 . 2 . 1 41 41 LEU CG C 13 26.858 0.076 . . . . . . B 141 LEU CG . 34447 1 1208 . 2 . 1 41 41 LEU CD1 C 13 22.899 0.073 . . . . . . B 141 LEU CD1 . 34447 1 1209 . 2 . 1 41 41 LEU CD2 C 13 27.181 0.048 . . . . . . B 141 LEU CD2 . 34447 1 1210 . 2 . 1 41 41 LEU N N 15 121.588 0.000 . . . . . . B 141 LEU N . 34447 1 1211 . 2 . 1 42 42 ALA H H 1 8.165 0.001 . . . . . . B 142 ALA H . 34447 1 1212 . 2 . 1 42 42 ALA HA H 1 4.030 0.002 . . . . . . B 142 ALA HA . 34447 1 1213 . 2 . 1 42 42 ALA HB1 H 1 1.538 0.000 . . . . . . B 142 ALA HB1 . 34447 1 1214 . 2 . 1 42 42 ALA HB2 H 1 1.538 0.000 . . . . . . B 142 ALA HB2 . 34447 1 1215 . 2 . 1 42 42 ALA HB3 H 1 1.538 0.000 . . . . . . B 142 ALA HB3 . 34447 1 1216 . 2 . 1 42 42 ALA C C 13 180.632 0.000 . . . . . . B 142 ALA C . 34447 1 1217 . 2 . 1 42 42 ALA CA C 13 55.648 0.032 . . . . . . B 142 ALA CA . 34447 1 1218 . 2 . 1 42 42 ALA CB C 13 17.941 0.042 . . . . . . B 142 ALA CB . 34447 1 1219 . 2 . 1 42 42 ALA N N 15 121.537 0.000 . . . . . . B 142 ALA N . 34447 1 1220 . 2 . 1 43 43 LYS H H 1 8.534 0.000 . . . . . . B 143 LYS H . 34447 1 1221 . 2 . 1 43 43 LYS HA H 1 4.096 0.004 . . . . . . B 143 LYS HA . 34447 1 1222 . 2 . 1 43 43 LYS HB2 H 1 1.932 0.001 . . . . . . B 143 LYS HB2 . 34447 1 1223 . 2 . 1 43 43 LYS HB3 H 1 1.932 0.001 . . . . . . B 143 LYS HB3 . 34447 1 1224 . 2 . 1 43 43 LYS HG2 H 1 1.539 0.002 . . . . . . B 143 LYS HG2 . 34447 1 1225 . 2 . 1 43 43 LYS HG3 H 1 1.677 0.003 . . . . . . B 143 LYS HG3 . 34447 1 1226 . 2 . 1 43 43 LYS HD2 H 1 1.666 0.000 . . . . . . B 143 LYS HD2 . 34447 1 1227 . 2 . 1 43 43 LYS HD3 H 1 1.666 0.000 . . . . . . B 143 LYS HD3 . 34447 1 1228 . 2 . 1 43 43 LYS HE2 H 1 2.961 0.001 . . . . . . B 143 LYS HE2 . 34447 1 1229 . 2 . 1 43 43 LYS HE3 H 1 2.961 0.001 . . . . . . B 143 LYS HE3 . 34447 1 1230 . 2 . 1 43 43 LYS C C 13 179.414 0.000 . . . . . . B 143 LYS C . 34447 1 1231 . 2 . 1 43 43 LYS CA C 13 59.479 0.044 . . . . . . B 143 LYS CA . 34447 1 1232 . 2 . 1 43 43 LYS CB C 13 32.504 0.101 . . . . . . B 143 LYS CB . 34447 1 1233 . 2 . 1 43 43 LYS CG C 13 25.833 0.038 . . . . . . B 143 LYS CG . 34447 1 1234 . 2 . 1 43 43 LYS CD C 13 29.446 0.028 . . . . . . B 143 LYS CD . 34447 1 1235 . 2 . 1 43 43 LYS CE C 13 42.107 0.036 . . . . . . B 143 LYS CE . 34447 1 1236 . 2 . 1 43 43 LYS N N 15 119.230 0.000 . . . . . . B 143 LYS N . 34447 1 1237 . 2 . 1 44 44 SER H H 1 8.379 0.000 . . . . . . B 144 SER H . 34447 1 1238 . 2 . 1 44 44 SER HA H 1 4.205 0.006 . . . . . . B 144 SER HA . 34447 1 1239 . 2 . 1 44 44 SER HB2 H 1 3.696 0.002 . . . . . . B 144 SER HB2 . 34447 1 1240 . 2 . 1 44 44 SER HB3 H 1 4.165 0.002 . . . . . . B 144 SER HB3 . 34447 1 1241 . 2 . 1 44 44 SER CA C 13 63.225 0.043 . . . . . . B 144 SER CA . 34447 1 1242 . 2 . 1 44 44 SER CB C 13 63.169 0.021 . . . . . . B 144 SER CB . 34447 1 1243 . 2 . 1 44 44 SER N N 15 117.510 0.000 . . . . . . B 144 SER N . 34447 1 1244 . 2 . 1 45 45 LEU H H 1 8.051 0.000 . . . . . . B 145 LEU H . 34447 1 1245 . 2 . 1 45 45 LEU HA H 1 3.967 0.002 . . . . . . B 145 LEU HA . 34447 1 1246 . 2 . 1 45 45 LEU HB2 H 1 2.110 0.000 . . . . . . B 145 LEU HB2 . 34447 1 1247 . 2 . 1 45 45 LEU HB3 H 1 1.427 0.006 . . . . . . B 145 LEU HB3 . 34447 1 1248 . 2 . 1 45 45 LEU HG H 1 1.497 0.002 . . . . . . B 145 LEU HG . 34447 1 1249 . 2 . 1 45 45 LEU HD11 H 1 0.850 0.002 . . . . . . B 145 LEU HD11 . 34447 1 1250 . 2 . 1 45 45 LEU HD12 H 1 0.850 0.002 . . . . . . B 145 LEU HD12 . 34447 1 1251 . 2 . 1 45 45 LEU HD13 H 1 0.850 0.002 . . . . . . B 145 LEU HD13 . 34447 1 1252 . 2 . 1 45 45 LEU HD21 H 1 0.858 0.002 . . . . . . B 145 LEU HD21 . 34447 1 1253 . 2 . 1 45 45 LEU HD22 H 1 0.858 0.002 . . . . . . B 145 LEU HD22 . 34447 1 1254 . 2 . 1 45 45 LEU HD23 H 1 0.858 0.002 . . . . . . B 145 LEU HD23 . 34447 1 1255 . 2 . 1 45 45 LEU C C 13 177.851 0.000 . . . . . . B 145 LEU C . 34447 1 1256 . 2 . 1 45 45 LEU CA C 13 58.519 0.039 . . . . . . B 145 LEU CA . 34447 1 1257 . 2 . 1 45 45 LEU CB C 13 41.538 0.022 . . . . . . B 145 LEU CB . 34447 1 1258 . 2 . 1 45 45 LEU CG C 13 27.057 0.046 . . . . . . B 145 LEU CG . 34447 1 1259 . 2 . 1 45 45 LEU CD1 C 13 26.950 0.032 . . . . . . B 145 LEU CD1 . 34447 1 1260 . 2 . 1 45 45 LEU CD2 C 13 23.337 0.037 . . . . . . B 145 LEU CD2 . 34447 1 1261 . 2 . 1 45 45 LEU N N 15 122.413 0.000 . . . . . . B 145 LEU N . 34447 1 1262 . 2 . 1 46 46 THR H H 1 7.975 0.000 . . . . . . B 146 THR H . 34447 1 1263 . 2 . 1 46 46 THR HA H 1 3.813 0.002 . . . . . . B 146 THR HA . 34447 1 1264 . 2 . 1 46 46 THR HB H 1 4.354 0.002 . . . . . . B 146 THR HB . 34447 1 1265 . 2 . 1 46 46 THR HG21 H 1 1.326 0.000 . . . . . . B 146 THR HG21 . 34447 1 1266 . 2 . 1 46 46 THR HG22 H 1 1.326 0.000 . . . . . . B 146 THR HG22 . 34447 1 1267 . 2 . 1 46 46 THR HG23 H 1 1.326 0.000 . . . . . . B 146 THR HG23 . 34447 1 1268 . 2 . 1 46 46 THR C C 13 176.719 0.000 . . . . . . B 146 THR C . 34447 1 1269 . 2 . 1 46 46 THR CA C 13 66.901 0.062 . . . . . . B 146 THR CA . 34447 1 1270 . 2 . 1 46 46 THR CB C 13 68.910 0.044 . . . . . . B 146 THR CB . 34447 1 1271 . 2 . 1 46 46 THR CG2 C 13 21.953 0.017 . . . . . . B 146 THR CG2 . 34447 1 1272 . 2 . 1 46 46 THR N N 15 114.483 0.000 . . . . . . B 146 THR N . 34447 1 1273 . 2 . 1 47 47 GLU H H 1 8.439 0.000 . . . . . . B 147 GLU H . 34447 1 1274 . 2 . 1 47 47 GLU HA H 1 4.575 0.003 . . . . . . B 147 GLU HA . 34447 1 1275 . 2 . 1 47 47 GLU HB2 H 1 2.184 0.000 . . . . . . B 147 GLU HB2 . 34447 1 1276 . 2 . 1 47 47 GLU HB3 H 1 1.991 0.000 . . . . . . B 147 GLU HB3 . 34447 1 1277 . 2 . 1 47 47 GLU HG2 H 1 2.291 0.004 . . . . . . B 147 GLU HG2 . 34447 1 1278 . 2 . 1 47 47 GLU HG3 H 1 2.291 0.004 . . . . . . B 147 GLU HG3 . 34447 1 1279 . 2 . 1 47 47 GLU C C 13 178.443 0.000 . . . . . . B 147 GLU C . 34447 1 1280 . 2 . 1 47 47 GLU CA C 13 58.677 0.042 . . . . . . B 147 GLU CA . 34447 1 1281 . 2 . 1 47 47 GLU CB C 13 29.682 0.060 . . . . . . B 147 GLU CB . 34447 1 1282 . 2 . 1 47 47 GLU CG C 13 34.560 0.040 . . . . . . B 147 GLU CG . 34447 1 1283 . 2 . 1 47 47 GLU N N 15 123.956 0.000 . . . . . . B 147 GLU N . 34447 1 1284 . 2 . 1 48 48 ILE H H 1 8.699 0.000 . . . . . . B 148 ILE H . 34447 1 1285 . 2 . 1 48 48 ILE HA H 1 3.541 0.002 . . . . . . B 148 ILE HA . 34447 1 1286 . 2 . 1 48 48 ILE HB H 1 1.890 0.000 . . . . . . B 148 ILE HB . 34447 1 1287 . 2 . 1 48 48 ILE HG12 H 1 1.956 0.004 . . . . . . B 148 ILE HG12 . 34447 1 1288 . 2 . 1 48 48 ILE HG13 H 1 0.755 0.005 . . . . . . B 148 ILE HG13 . 34447 1 1289 . 2 . 1 48 48 ILE HG21 H 1 0.859 0.001 . . . . . . B 148 ILE HG21 . 34447 1 1290 . 2 . 1 48 48 ILE HG22 H 1 0.859 0.001 . . . . . . B 148 ILE HG22 . 34447 1 1291 . 2 . 1 48 48 ILE HG23 H 1 0.859 0.001 . . . . . . B 148 ILE HG23 . 34447 1 1292 . 2 . 1 48 48 ILE HD11 H 1 0.866 0.003 . . . . . . B 148 ILE HD11 . 34447 1 1293 . 2 . 1 48 48 ILE HD12 H 1 0.866 0.003 . . . . . . B 148 ILE HD12 . 34447 1 1294 . 2 . 1 48 48 ILE HD13 H 1 0.866 0.003 . . . . . . B 148 ILE HD13 . 34447 1 1295 . 2 . 1 48 48 ILE C C 13 177.950 0.000 . . . . . . B 148 ILE C . 34447 1 1296 . 2 . 1 48 48 ILE CA C 13 66.701 0.044 . . . . . . B 148 ILE CA . 34447 1 1297 . 2 . 1 48 48 ILE CB C 13 38.158 0.060 . . . . . . B 148 ILE CB . 34447 1 1298 . 2 . 1 48 48 ILE CG1 C 13 31.768 0.037 . . . . . . B 148 ILE CG1 . 34447 1 1299 . 2 . 1 48 48 ILE CG2 C 13 17.131 0.036 . . . . . . B 148 ILE CG2 . 34447 1 1300 . 2 . 1 48 48 ILE CD1 C 13 13.639 0.040 . . . . . . B 148 ILE CD1 . 34447 1 1301 . 2 . 1 48 48 ILE N N 15 120.808 0.000 . . . . . . B 148 ILE N . 34447 1 1302 . 2 . 1 49 49 LYS H H 1 8.139 0.000 . . . . . . B 149 LYS H . 34447 1 1303 . 2 . 1 49 49 LYS HA H 1 3.834 0.002 . . . . . . B 149 LYS HA . 34447 1 1304 . 2 . 1 49 49 LYS HB2 H 1 1.859 0.005 . . . . . . B 149 LYS HB2 . 34447 1 1305 . 2 . 1 49 49 LYS HB3 H 1 1.859 0.005 . . . . . . B 149 LYS HB3 . 34447 1 1306 . 2 . 1 49 49 LYS HG2 H 1 1.380 0.004 . . . . . . B 149 LYS HG2 . 34447 1 1307 . 2 . 1 49 49 LYS HG3 H 1 1.703 0.003 . . . . . . B 149 LYS HG3 . 34447 1 1308 . 2 . 1 49 49 LYS HD2 H 1 1.648 0.000 . . . . . . B 149 LYS HD2 . 34447 1 1309 . 2 . 1 49 49 LYS HD3 H 1 1.648 0.000 . . . . . . B 149 LYS HD3 . 34447 1 1310 . 2 . 1 49 49 LYS HE2 H 1 2.843 0.001 . . . . . . B 149 LYS HE2 . 34447 1 1311 . 2 . 1 49 49 LYS HE3 H 1 2.978 0.006 . . . . . . B 149 LYS HE3 . 34447 1 1312 . 2 . 1 49 49 LYS C C 13 179.821 0.000 . . . . . . B 149 LYS C . 34447 1 1313 . 2 . 1 49 49 LYS CA C 13 60.913 0.080 . . . . . . B 149 LYS CA . 34447 1 1314 . 2 . 1 49 49 LYS CB C 13 32.227 0.138 . . . . . . B 149 LYS CB . 34447 1 1315 . 2 . 1 49 49 LYS CG C 13 25.872 0.054 . . . . . . B 149 LYS CG . 34447 1 1316 . 2 . 1 49 49 LYS CD C 13 29.655 0.078 . . . . . . B 149 LYS CD . 34447 1 1317 . 2 . 1 49 49 LYS CE C 13 41.603 0.086 . . . . . . B 149 LYS CE . 34447 1 1318 . 2 . 1 49 49 LYS N N 15 117.459 0.000 . . . . . . B 149 LYS N . 34447 1 1319 . 2 . 1 50 50 ARG H H 1 8.415 0.000 . . . . . . B 150 ARG H . 34447 1 1320 . 2 . 1 50 50 ARG HA H 1 4.045 0.004 . . . . . . B 150 ARG HA . 34447 1 1321 . 2 . 1 50 50 ARG HB2 H 1 2.107 0.002 . . . . . . B 150 ARG HB2 . 34447 1 1322 . 2 . 1 50 50 ARG HB3 H 1 1.961 0.000 . . . . . . B 150 ARG HB3 . 34447 1 1323 . 2 . 1 50 50 ARG HG2 H 1 1.691 0.004 . . . . . . B 150 ARG HG2 . 34447 1 1324 . 2 . 1 50 50 ARG HG3 H 1 1.446 0.002 . . . . . . B 150 ARG HG3 . 34447 1 1325 . 2 . 1 50 50 ARG HD2 H 1 3.369 0.002 . . . . . . B 150 ARG HD2 . 34447 1 1326 . 2 . 1 50 50 ARG HD3 H 1 3.026 0.001 . . . . . . B 150 ARG HD3 . 34447 1 1327 . 2 . 1 50 50 ARG HE H 1 8.190 0.000 . . . . . . B 150 ARG HE . 34447 1 1328 . 2 . 1 50 50 ARG C C 13 180.014 0.000 . . . . . . B 150 ARG C . 34447 1 1329 . 2 . 1 50 50 ARG CA C 13 59.693 0.062 . . . . . . B 150 ARG CA . 34447 1 1330 . 2 . 1 50 50 ARG CB C 13 30.616 0.061 . . . . . . B 150 ARG CB . 34447 1 1331 . 2 . 1 50 50 ARG CG C 13 27.363 0.058 . . . . . . B 150 ARG CG . 34447 1 1332 . 2 . 1 50 50 ARG CD C 13 42.908 0.029 . . . . . . B 150 ARG CD . 34447 1 1333 . 2 . 1 50 50 ARG N N 15 121.819 0.000 . . . . . . B 150 ARG N . 34447 1 1334 . 2 . 1 50 50 ARG NE N 15 82.522 0.000 . . . . . . B 150 ARG NE . 34447 1 1335 . 2 . 1 51 51 LEU H H 1 8.807 0.000 . . . . . . B 151 LEU H . 34447 1 1336 . 2 . 1 51 51 LEU HA H 1 3.947 0.004 . . . . . . B 151 LEU HA . 34447 1 1337 . 2 . 1 51 51 LEU HB2 H 1 2.083 0.006 . . . . . . B 151 LEU HB2 . 34447 1 1338 . 2 . 1 51 51 LEU HB3 H 1 1.299 0.010 . . . . . . B 151 LEU HB3 . 34447 1 1339 . 2 . 1 51 51 LEU HG H 1 1.769 0.002 . . . . . . B 151 LEU HG . 34447 1 1340 . 2 . 1 51 51 LEU HD11 H 1 0.804 0.001 . . . . . . B 151 LEU HD11 . 34447 1 1341 . 2 . 1 51 51 LEU HD12 H 1 0.804 0.001 . . . . . . B 151 LEU HD12 . 34447 1 1342 . 2 . 1 51 51 LEU HD13 H 1 0.804 0.001 . . . . . . B 151 LEU HD13 . 34447 1 1343 . 2 . 1 51 51 LEU HD21 H 1 1.015 0.003 . . . . . . B 151 LEU HD21 . 34447 1 1344 . 2 . 1 51 51 LEU HD22 H 1 1.015 0.003 . . . . . . B 151 LEU HD22 . 34447 1 1345 . 2 . 1 51 51 LEU HD23 H 1 1.015 0.003 . . . . . . B 151 LEU HD23 . 34447 1 1346 . 2 . 1 51 51 LEU C C 13 179.624 0.000 . . . . . . B 151 LEU C . 34447 1 1347 . 2 . 1 51 51 LEU CA C 13 57.989 0.027 . . . . . . B 151 LEU CA . 34447 1 1348 . 2 . 1 51 51 LEU CB C 13 44.079 0.040 . . . . . . B 151 LEU CB . 34447 1 1349 . 2 . 1 51 51 LEU CG C 13 27.843 0.024 . . . . . . B 151 LEU CG . 34447 1 1350 . 2 . 1 51 51 LEU CD1 C 13 23.390 0.031 . . . . . . B 151 LEU CD1 . 34447 1 1351 . 2 . 1 51 51 LEU CD2 C 13 27.823 0.038 . . . . . . B 151 LEU CD2 . 34447 1 1352 . 2 . 1 51 51 LEU N N 15 121.931 0.000 . . . . . . B 151 LEU N . 34447 1 1353 . 2 . 1 52 52 LYS H H 1 8.716 0.000 . . . . . . B 152 LYS H . 34447 1 1354 . 2 . 1 52 52 LYS HA H 1 3.967 0.004 . . . . . . B 152 LYS HA . 34447 1 1355 . 2 . 1 52 52 LYS HB2 H 1 1.894 0.013 . . . . . . B 152 LYS HB2 . 34447 1 1356 . 2 . 1 52 52 LYS HB3 H 1 1.861 0.000 . . . . . . B 152 LYS HB3 . 34447 1 1357 . 2 . 1 52 52 LYS HG2 H 1 1.382 0.004 . . . . . . B 152 LYS HG2 . 34447 1 1358 . 2 . 1 52 52 LYS HG3 H 1 1.907 0.003 . . . . . . B 152 LYS HG3 . 34447 1 1359 . 2 . 1 52 52 LYS HD2 H 1 1.774 0.000 . . . . . . B 152 LYS HD2 . 34447 1 1360 . 2 . 1 52 52 LYS HD3 H 1 1.665 0.000 . . . . . . B 152 LYS HD3 . 34447 1 1361 . 2 . 1 52 52 LYS HE2 H 1 3.015 0.000 . . . . . . B 152 LYS HE2 . 34447 1 1362 . 2 . 1 52 52 LYS HE3 H 1 2.865 0.000 . . . . . . B 152 LYS HE3 . 34447 1 1363 . 2 . 1 52 52 LYS C C 13 179.509 0.000 . . . . . . B 152 LYS C . 34447 1 1364 . 2 . 1 52 52 LYS CA C 13 60.640 0.071 . . . . . . B 152 LYS CA . 34447 1 1365 . 2 . 1 52 52 LYS CB C 13 32.647 0.047 . . . . . . B 152 LYS CB . 34447 1 1366 . 2 . 1 52 52 LYS CG C 13 27.202 0.085 . . . . . . B 152 LYS CG . 34447 1 1367 . 2 . 1 52 52 LYS CD C 13 30.023 0.001 . . . . . . B 152 LYS CD . 34447 1 1368 . 2 . 1 52 52 LYS CE C 13 42.145 0.011 . . . . . . B 152 LYS CE . 34447 1 1369 . 2 . 1 52 52 LYS N N 15 120.018 0.000 . . . . . . B 152 LYS N . 34447 1 1370 . 2 . 1 53 53 ALA H H 1 7.908 0.000 . . . . . . B 153 ALA H . 34447 1 1371 . 2 . 1 53 53 ALA HA H 1 4.218 0.001 . . . . . . B 153 ALA HA . 34447 1 1372 . 2 . 1 53 53 ALA HB1 H 1 1.516 0.000 . . . . . . B 153 ALA HB1 . 34447 1 1373 . 2 . 1 53 53 ALA HB2 H 1 1.516 0.000 . . . . . . B 153 ALA HB2 . 34447 1 1374 . 2 . 1 53 53 ALA HB3 H 1 1.516 0.000 . . . . . . B 153 ALA HB3 . 34447 1 1375 . 2 . 1 53 53 ALA C C 13 180.810 0.000 . . . . . . B 153 ALA C . 34447 1 1376 . 2 . 1 53 53 ALA CA C 13 55.091 0.035 . . . . . . B 153 ALA CA . 34447 1 1377 . 2 . 1 53 53 ALA CB C 13 17.623 0.089 . . . . . . B 153 ALA CB . 34447 1 1378 . 2 . 1 53 53 ALA N N 15 122.047 0.000 . . . . . . B 153 ALA N . 34447 1 1379 . 2 . 1 54 54 ALA H H 1 8.246 0.000 . . . . . . B 154 ALA H . 34447 1 1380 . 2 . 1 54 54 ALA HA H 1 4.186 0.005 . . . . . . B 154 ALA HA . 34447 1 1381 . 2 . 1 54 54 ALA HB1 H 1 1.476 0.001 . . . . . . B 154 ALA HB1 . 34447 1 1382 . 2 . 1 54 54 ALA HB2 H 1 1.476 0.001 . . . . . . B 154 ALA HB2 . 34447 1 1383 . 2 . 1 54 54 ALA HB3 H 1 1.476 0.001 . . . . . . B 154 ALA HB3 . 34447 1 1384 . 2 . 1 54 54 ALA C C 13 180.008 0.000 . . . . . . B 154 ALA C . 34447 1 1385 . 2 . 1 54 54 ALA CA C 13 54.860 0.077 . . . . . . B 154 ALA CA . 34447 1 1386 . 2 . 1 54 54 ALA CB C 13 17.619 0.050 . . . . . . B 154 ALA CB . 34447 1 1387 . 2 . 1 54 54 ALA N N 15 122.707 0.000 . . . . . . B 154 ALA N . 34447 1 1388 . 2 . 1 55 55 ASN H H 1 8.529 0.000 . . . . . . B 155 ASN H . 34447 1 1389 . 2 . 1 55 55 ASN HA H 1 4.335 0.005 . . . . . . B 155 ASN HA . 34447 1 1390 . 2 . 1 55 55 ASN HB2 H 1 3.218 0.004 . . . . . . B 155 ASN HB2 . 34447 1 1391 . 2 . 1 55 55 ASN HB3 H 1 2.753 0.004 . . . . . . B 155 ASN HB3 . 34447 1 1392 . 2 . 1 55 55 ASN HD21 H 1 7.724 0.000 . . . . . . B 155 ASN HD21 . 34447 1 1393 . 2 . 1 55 55 ASN HD22 H 1 6.773 0.000 . . . . . . B 155 ASN HD22 . 34447 1 1394 . 2 . 1 55 55 ASN C C 13 177.225 0.000 . . . . . . B 155 ASN C . 34447 1 1395 . 2 . 1 55 55 ASN CA C 13 57.078 0.030 . . . . . . B 155 ASN CA . 34447 1 1396 . 2 . 1 55 55 ASN CB C 13 38.814 0.050 . . . . . . B 155 ASN CB . 34447 1 1397 . 2 . 1 55 55 ASN N N 15 119.221 0.000 . . . . . . B 155 ASN N . 34447 1 1398 . 2 . 1 55 55 ASN ND2 N 15 106.320 0.006 . . . . . . B 155 ASN ND2 . 34447 1 1399 . 2 . 1 56 56 GLN H H 1 8.160 0.000 . . . . . . B 156 GLN H . 34447 1 1400 . 2 . 1 56 56 GLN HA H 1 4.083 0.003 . . . . . . B 156 GLN HA . 34447 1 1401 . 2 . 1 56 56 GLN HB2 H 1 2.132 0.004 . . . . . . B 156 GLN HB2 . 34447 1 1402 . 2 . 1 56 56 GLN HB3 H 1 2.206 0.003 . . . . . . B 156 GLN HB3 . 34447 1 1403 . 2 . 1 56 56 GLN HG2 H 1 2.395 0.005 . . . . . . B 156 GLN HG2 . 34447 1 1404 . 2 . 1 56 56 GLN HG3 H 1 2.533 0.001 . . . . . . B 156 GLN HG3 . 34447 1 1405 . 2 . 1 56 56 GLN HE21 H 1 7.486 0.000 . . . . . . B 156 GLN HE21 . 34447 1 1406 . 2 . 1 56 56 GLN HE22 H 1 6.876 0.000 . . . . . . B 156 GLN HE22 . 34447 1 1407 . 2 . 1 56 56 GLN C C 13 178.433 0.000 . . . . . . B 156 GLN C . 34447 1 1408 . 2 . 1 56 56 GLN CA C 13 58.904 0.082 . . . . . . B 156 GLN CA . 34447 1 1409 . 2 . 1 56 56 GLN CB C 13 28.416 0.054 . . . . . . B 156 GLN CB . 34447 1 1410 . 2 . 1 56 56 GLN CG C 13 34.066 0.015 . . . . . . B 156 GLN CG . 34447 1 1411 . 2 . 1 56 56 GLN N N 15 119.026 0.000 . . . . . . B 156 GLN N . 34447 1 1412 . 2 . 1 56 56 GLN NE2 N 15 111.634 0.005 . . . . . . B 156 GLN NE2 . 34447 1 1413 . 2 . 1 57 57 ALA H H 1 7.743 0.002 . . . . . . B 157 ALA H . 34447 1 1414 . 2 . 1 57 57 ALA HA H 1 4.171 0.000 . . . . . . B 157 ALA HA . 34447 1 1415 . 2 . 1 57 57 ALA HB1 H 1 1.505 0.002 . . . . . . B 157 ALA HB1 . 34447 1 1416 . 2 . 1 57 57 ALA HB2 H 1 1.505 0.002 . . . . . . B 157 ALA HB2 . 34447 1 1417 . 2 . 1 57 57 ALA HB3 H 1 1.505 0.002 . . . . . . B 157 ALA HB3 . 34447 1 1418 . 2 . 1 57 57 ALA C C 13 180.907 0.000 . . . . . . B 157 ALA C . 34447 1 1419 . 2 . 1 57 57 ALA CA C 13 54.991 0.033 . . . . . . B 157 ALA CA . 34447 1 1420 . 2 . 1 57 57 ALA CB C 13 17.846 0.074 . . . . . . B 157 ALA CB . 34447 1 1421 . 2 . 1 57 57 ALA N N 15 121.024 0.004 . . . . . . B 157 ALA N . 34447 1 1422 . 2 . 1 58 58 LEU H H 1 7.919 0.000 . . . . . . B 158 LEU H . 34447 1 1423 . 2 . 1 58 58 LEU HA H 1 4.116 0.001 . . . . . . B 158 LEU HA . 34447 1 1424 . 2 . 1 58 58 LEU HB2 H 1 2.050 0.002 . . . . . . B 158 LEU HB2 . 34447 1 1425 . 2 . 1 58 58 LEU HB3 H 1 1.393 0.001 . . . . . . B 158 LEU HB3 . 34447 1 1426 . 2 . 1 58 58 LEU HG H 1 1.806 0.003 . . . . . . B 158 LEU HG . 34447 1 1427 . 2 . 1 58 58 LEU HD11 H 1 0.851 0.004 . . . . . . B 158 LEU HD11 . 34447 1 1428 . 2 . 1 58 58 LEU HD12 H 1 0.851 0.004 . . . . . . B 158 LEU HD12 . 34447 1 1429 . 2 . 1 58 58 LEU HD13 H 1 0.851 0.004 . . . . . . B 158 LEU HD13 . 34447 1 1430 . 2 . 1 58 58 LEU HD21 H 1 0.932 0.003 . . . . . . B 158 LEU HD21 . 34447 1 1431 . 2 . 1 58 58 LEU HD22 H 1 0.932 0.003 . . . . . . B 158 LEU HD22 . 34447 1 1432 . 2 . 1 58 58 LEU HD23 H 1 0.932 0.003 . . . . . . B 158 LEU HD23 . 34447 1 1433 . 2 . 1 58 58 LEU C C 13 179.599 0.000 . . . . . . B 158 LEU C . 34447 1 1434 . 2 . 1 58 58 LEU CA C 13 57.477 0.040 . . . . . . B 158 LEU CA . 34447 1 1435 . 2 . 1 58 58 LEU CB C 13 43.620 0.030 . . . . . . B 158 LEU CB . 34447 1 1436 . 2 . 1 58 58 LEU CG C 13 27.439 0.058 . . . . . . B 158 LEU CG . 34447 1 1437 . 2 . 1 58 58 LEU CD1 C 13 23.277 0.040 . . . . . . B 158 LEU CD1 . 34447 1 1438 . 2 . 1 58 58 LEU CD2 C 13 26.091 0.062 . . . . . . B 158 LEU CD2 . 34447 1 1439 . 2 . 1 58 58 LEU N N 15 119.553 0.000 . . . . . . B 158 LEU N . 34447 1 1440 . 2 . 1 59 59 GLU H H 1 8.336 0.000 . . . . . . B 159 GLU H . 34447 1 1441 . 2 . 1 59 59 GLU HA H 1 4.053 0.003 . . . . . . B 159 GLU HA . 34447 1 1442 . 2 . 1 59 59 GLU HB2 H 1 2.109 0.006 . . . . . . B 159 GLU HB2 . 34447 1 1443 . 2 . 1 59 59 GLU HB3 H 1 2.049 0.003 . . . . . . B 159 GLU HB3 . 34447 1 1444 . 2 . 1 59 59 GLU HG2 H 1 2.404 0.002 . . . . . . B 159 GLU HG2 . 34447 1 1445 . 2 . 1 59 59 GLU HG3 H 1 2.222 0.005 . . . . . . B 159 GLU HG3 . 34447 1 1446 . 2 . 1 59 59 GLU C C 13 178.980 0.000 . . . . . . B 159 GLU C . 34447 1 1447 . 2 . 1 59 59 GLU CA C 13 59.149 0.030 . . . . . . B 159 GLU CA . 34447 1 1448 . 2 . 1 59 59 GLU CB C 13 29.840 0.061 . . . . . . B 159 GLU CB . 34447 1 1449 . 2 . 1 59 59 GLU CG C 13 36.474 0.097 . . . . . . B 159 GLU CG . 34447 1 1450 . 2 . 1 59 59 GLU N N 15 120.014 0.000 . . . . . . B 159 GLU N . 34447 1 1451 . 2 . 1 60 60 GLN H H 1 8.013 0.000 . . . . . . B 160 GLN H . 34447 1 1452 . 2 . 1 60 60 GLN HA H 1 4.127 0.002 . . . . . . B 160 GLN HA . 34447 1 1453 . 2 . 1 60 60 GLN HB2 H 1 2.142 0.003 . . . . . . B 160 GLN HB2 . 34447 1 1454 . 2 . 1 60 60 GLN HB3 H 1 2.142 0.003 . . . . . . B 160 GLN HB3 . 34447 1 1455 . 2 . 1 60 60 GLN HG2 H 1 2.466 0.002 . . . . . . B 160 GLN HG2 . 34447 1 1456 . 2 . 1 60 60 GLN HG3 H 1 2.514 0.002 . . . . . . B 160 GLN HG3 . 34447 1 1457 . 2 . 1 60 60 GLN HE21 H 1 7.565 0.000 . . . . . . B 160 GLN HE21 . 34447 1 1458 . 2 . 1 60 60 GLN HE22 H 1 6.857 0.000 . . . . . . B 160 GLN HE22 . 34447 1 1459 . 2 . 1 60 60 GLN C C 13 176.961 0.000 . . . . . . B 160 GLN C . 34447 1 1460 . 2 . 1 60 60 GLN CA C 13 57.332 0.077 . . . . . . B 160 GLN CA . 34447 1 1461 . 2 . 1 60 60 GLN CB C 13 28.528 0.071 . . . . . . B 160 GLN CB . 34447 1 1462 . 2 . 1 60 60 GLN CG C 13 33.976 0.047 . . . . . . B 160 GLN CG . 34447 1 1463 . 2 . 1 60 60 GLN N N 15 117.684 0.009 . . . . . . B 160 GLN N . 34447 1 1464 . 2 . 1 60 60 GLN NE2 N 15 112.189 0.021 . . . . . . B 160 GLN NE2 . 34447 1 1465 . 2 . 1 61 61 ALA H H 1 7.658 0.002 . . . . . . B 161 ALA H . 34447 1 1466 . 2 . 1 61 61 ALA HA H 1 4.290 0.001 . . . . . . B 161 ALA HA . 34447 1 1467 . 2 . 1 61 61 ALA HB1 H 1 1.480 0.001 . . . . . . B 161 ALA HB1 . 34447 1 1468 . 2 . 1 61 61 ALA HB2 H 1 1.480 0.001 . . . . . . B 161 ALA HB2 . 34447 1 1469 . 2 . 1 61 61 ALA HB3 H 1 1.480 0.001 . . . . . . B 161 ALA HB3 . 34447 1 1470 . 2 . 1 61 61 ALA C C 13 178.037 0.000 . . . . . . B 161 ALA C . 34447 1 1471 . 2 . 1 61 61 ALA CA C 13 53.112 0.046 . . . . . . B 161 ALA CA . 34447 1 1472 . 2 . 1 61 61 ALA CB C 13 18.773 0.052 . . . . . . B 161 ALA CB . 34447 1 1473 . 2 . 1 61 61 ALA N N 15 121.623 0.000 . . . . . . B 161 ALA N . 34447 1 1474 . 2 . 1 62 62 ARG H H 1 7.741 0.000 . . . . . . B 162 ARG H . 34447 1 1475 . 2 . 1 62 62 ARG HA H 1 4.319 0.003 . . . . . . B 162 ARG HA . 34447 1 1476 . 2 . 1 62 62 ARG HB2 H 1 1.925 0.004 . . . . . . B 162 ARG HB2 . 34447 1 1477 . 2 . 1 62 62 ARG HB3 H 1 1.862 0.007 . . . . . . B 162 ARG HB3 . 34447 1 1478 . 2 . 1 62 62 ARG HG2 H 1 1.709 0.006 . . . . . . B 162 ARG HG2 . 34447 1 1479 . 2 . 1 62 62 ARG HG3 H 1 1.709 0.006 . . . . . . B 162 ARG HG3 . 34447 1 1480 . 2 . 1 62 62 ARG HD2 H 1 3.213 0.003 . . . . . . B 162 ARG HD2 . 34447 1 1481 . 2 . 1 62 62 ARG HD3 H 1 3.213 0.003 . . . . . . B 162 ARG HD3 . 34447 1 1482 . 2 . 1 62 62 ARG HE H 1 7.319 0.000 . . . . . . B 162 ARG HE . 34447 1 1483 . 2 . 1 62 62 ARG C C 13 176.299 0.000 . . . . . . B 162 ARG C . 34447 1 1484 . 2 . 1 62 62 ARG CA C 13 56.441 0.095 . . . . . . B 162 ARG CA . 34447 1 1485 . 2 . 1 62 62 ARG CB C 13 30.677 0.036 . . . . . . B 162 ARG CB . 34447 1 1486 . 2 . 1 62 62 ARG CG C 13 26.964 0.051 . . . . . . B 162 ARG CG . 34447 1 1487 . 2 . 1 62 62 ARG CD C 13 43.480 0.058 . . . . . . B 162 ARG CD . 34447 1 1488 . 2 . 1 62 62 ARG N N 15 118.438 0.000 . . . . . . B 162 ARG N . 34447 1 1489 . 2 . 1 62 62 ARG NE N 15 84.523 0.000 . . . . . . B 162 ARG NE . 34447 1 1490 . 2 . 1 63 63 ARG H H 1 8.110 0.000 . . . . . . B 163 ARG H . 34447 1 1491 . 2 . 1 63 63 ARG HA H 1 4.389 0.001 . . . . . . B 163 ARG HA . 34447 1 1492 . 2 . 1 63 63 ARG HB2 H 1 1.926 0.003 . . . . . . B 163 ARG HB2 . 34447 1 1493 . 2 . 1 63 63 ARG HB3 H 1 1.811 0.004 . . . . . . B 163 ARG HB3 . 34447 1 1494 . 2 . 1 63 63 ARG HG2 H 1 1.712 0.002 . . . . . . B 163 ARG HG2 . 34447 1 1495 . 2 . 1 63 63 ARG HG3 H 1 1.684 0.003 . . . . . . B 163 ARG HG3 . 34447 1 1496 . 2 . 1 63 63 ARG HD2 H 1 3.216 0.001 . . . . . . B 163 ARG HD2 . 34447 1 1497 . 2 . 1 63 63 ARG HD3 H 1 3.216 0.001 . . . . . . B 163 ARG HD3 . 34447 1 1498 . 2 . 1 63 63 ARG HE H 1 7.264 0.000 . . . . . . B 163 ARG HE . 34447 1 1499 . 2 . 1 63 63 ARG C C 13 175.379 0.000 . . . . . . B 163 ARG C . 34447 1 1500 . 2 . 1 63 63 ARG CA C 13 56.149 0.035 . . . . . . B 163 ARG CA . 34447 1 1501 . 2 . 1 63 63 ARG CB C 13 30.952 0.040 . . . . . . B 163 ARG CB . 34447 1 1502 . 2 . 1 63 63 ARG CG C 13 27.187 0.053 . . . . . . B 163 ARG CG . 34447 1 1503 . 2 . 1 63 63 ARG CD C 13 43.497 0.032 . . . . . . B 163 ARG CD . 34447 1 1504 . 2 . 1 63 63 ARG N N 15 122.186 0.000 . . . . . . B 163 ARG N . 34447 1 1505 . 2 . 1 63 63 ARG NE N 15 84.958 0.000 . . . . . . B 163 ARG NE . 34447 1 1506 . 2 . 1 64 64 GLU H H 1 7.938 0.001 . . . . . . B 164 GLU H . 34447 1 1507 . 2 . 1 64 64 GLU HA H 1 4.122 0.001 . . . . . . B 164 GLU HA . 34447 1 1508 . 2 . 1 64 64 GLU HB2 H 1 2.052 0.001 . . . . . . B 164 GLU HB2 . 34447 1 1509 . 2 . 1 64 64 GLU HB3 H 1 1.906 0.003 . . . . . . B 164 GLU HB3 . 34447 1 1510 . 2 . 1 64 64 GLU HG2 H 1 2.226 0.001 . . . . . . B 164 GLU HG2 . 34447 1 1511 . 2 . 1 64 64 GLU HG3 H 1 2.226 0.001 . . . . . . B 164 GLU HG3 . 34447 1 1512 . 2 . 1 64 64 GLU C C 13 181.074 0.000 . . . . . . B 164 GLU C . 34447 1 1513 . 2 . 1 64 64 GLU CA C 13 58.051 0.036 . . . . . . B 164 GLU CA . 34447 1 1514 . 2 . 1 64 64 GLU CB C 13 31.135 0.068 . . . . . . B 164 GLU CB . 34447 1 1515 . 2 . 1 64 64 GLU CG C 13 36.617 0.030 . . . . . . B 164 GLU CG . 34447 1 1516 . 2 . 1 64 64 GLU N N 15 126.946 0.014 . . . . . . B 164 GLU N . 34447 1 stop_ save_