data_50201 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50201 _Entry.Title ; Chemical shift assignment of the Connexin43 cytoplasmic loop domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-20 _Entry.Accession_date 2020-02-20 _Entry.Last_release_date 2020-02-20 _Entry.Original_release_date 2020-02-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Gaelle Spagnol . . . . 50201 2 Sylvie Chenavas . . . . 50201 3 Fabien Kieken . . . . 50201 4 Andrew Trease . . . . 50201 5 Li Zheng . . . . 50201 6 Sarah Brownell . . . . 50201 7 Asokan Anbanandam . . . . 50201 8 Paul Sorgen . L. . . 50201 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50201 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 259 50201 '15N chemical shifts' 59 50201 '1H chemical shifts' 448 50201 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-08-11 . original BMRB . 50201 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50201 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33080786 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Calmodulin Directly Interacts with the Cx43 Carboxyl-Terminus and Cytoplasmic Loop Containing Three ODDD-Linked Mutants (M147T, R148Q, and T154A) that Retain \u03b1-Helical Structure, but Exhibit Loss-of-Function and Cellular Trafficking Defects ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biomolecules _Citation.Journal_name_full Biomolecules _Citation.Journal_volume 10 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2218-273X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1452 _Citation.Page_last 1452 _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 Li Zheng L. . . . 50201 1 2 Sylvie Chenavas S. . . . 50201 1 3 Fabien Kieken F. . . . 50201 1 4 Andrew Trease A. . . . 50201 1 5 Sarah Brownell S. . . . 50201 1 6 Asokan Anbanandam A. . . . 50201 1 7 Paul Sorgen P. L. . . 50201 1 8 Gaelle Spagnol G. . . . 50201 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Cx43 50201 1 'Cytoplasmic loop' 50201 1 'Gap Junction' 50201 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50201 _Assembly.ID 1 _Assembly.Name 'Cx43CL domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 7071.2 _Assembly.Enzyme_commission_number . _Assembly.Details 'Cytoplasmic loop domain of connexin43' _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 'Cytoplasmic loop domain of connexin43' 1 $entity_1 . . yes 'intrinsically disordered' no no . . . 50201 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50201 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSMRKEEKLNKKEEELK VAQTDGVNVEMHLKQIEIKK FKYGIEEHGKVKMRGGLLRT Y ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-5 represent part of the remaining non-native affinity tag. This is the cytoplasmic loop domain (residues 100-155) of a 4-span transmembrane protein. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Cytoplasmic loop domain of connexin43' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7071.2 _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 . 50201 1 2 . PRO . 50201 1 3 . LEU . 50201 1 4 . GLY . 50201 1 5 . SER . 50201 1 6 . MET . 50201 1 7 . ARG . 50201 1 8 . LYS . 50201 1 9 . GLU . 50201 1 10 . GLU . 50201 1 11 . LYS . 50201 1 12 . LEU . 50201 1 13 . ASN . 50201 1 14 . LYS . 50201 1 15 . LYS . 50201 1 16 . GLU . 50201 1 17 . GLU . 50201 1 18 . GLU . 50201 1 19 . LEU . 50201 1 20 . LYS . 50201 1 21 . VAL . 50201 1 22 . ALA . 50201 1 23 . GLN . 50201 1 24 . THR . 50201 1 25 . ASP . 50201 1 26 . GLY . 50201 1 27 . VAL . 50201 1 28 . ASN . 50201 1 29 . VAL . 50201 1 30 . GLU . 50201 1 31 . MET . 50201 1 32 . HIS . 50201 1 33 . LEU . 50201 1 34 . LYS . 50201 1 35 . GLN . 50201 1 36 . ILE . 50201 1 37 . GLU . 50201 1 38 . ILE . 50201 1 39 . LYS . 50201 1 40 . LYS . 50201 1 41 . PHE . 50201 1 42 . LYS . 50201 1 43 . TYR . 50201 1 44 . GLY . 50201 1 45 . ILE . 50201 1 46 . GLU . 50201 1 47 . GLU . 50201 1 48 . HIS . 50201 1 49 . GLY . 50201 1 50 . LYS . 50201 1 51 . VAL . 50201 1 52 . LYS . 50201 1 53 . MET . 50201 1 54 . ARG . 50201 1 55 . GLY . 50201 1 56 . GLY . 50201 1 57 . LEU . 50201 1 58 . LEU . 50201 1 59 . ARG . 50201 1 60 . THR . 50201 1 61 . TYR . 50201 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 50201 1 . PRO 2 2 50201 1 . LEU 3 3 50201 1 . GLY 4 4 50201 1 . SER 5 5 50201 1 . MET 6 6 50201 1 . ARG 7 7 50201 1 . LYS 8 8 50201 1 . GLU 9 9 50201 1 . GLU 10 10 50201 1 . LYS 11 11 50201 1 . LEU 12 12 50201 1 . ASN 13 13 50201 1 . LYS 14 14 50201 1 . LYS 15 15 50201 1 . GLU 16 16 50201 1 . GLU 17 17 50201 1 . GLU 18 18 50201 1 . LEU 19 19 50201 1 . LYS 20 20 50201 1 . VAL 21 21 50201 1 . ALA 22 22 50201 1 . GLN 23 23 50201 1 . THR 24 24 50201 1 . ASP 25 25 50201 1 . GLY 26 26 50201 1 . VAL 27 27 50201 1 . ASN 28 28 50201 1 . VAL 29 29 50201 1 . GLU 30 30 50201 1 . MET 31 31 50201 1 . HIS 32 32 50201 1 . LEU 33 33 50201 1 . LYS 34 34 50201 1 . GLN 35 35 50201 1 . ILE 36 36 50201 1 . GLU 37 37 50201 1 . ILE 38 38 50201 1 . LYS 39 39 50201 1 . LYS 40 40 50201 1 . PHE 41 41 50201 1 . LYS 42 42 50201 1 . TYR 43 43 50201 1 . GLY 44 44 50201 1 . ILE 45 45 50201 1 . GLU 46 46 50201 1 . GLU 47 47 50201 1 . HIS 48 48 50201 1 . GLY 49 49 50201 1 . LYS 50 50 50201 1 . VAL 51 51 50201 1 . LYS 52 52 50201 1 . MET 53 53 50201 1 . ARG 54 54 50201 1 . GLY 55 55 50201 1 . GLY 56 56 50201 1 . LEU 57 57 50201 1 . LEU 58 58 50201 1 . ARG 59 59 50201 1 . THR 60 60 50201 1 . TYR 61 61 50201 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50201 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21(DE3) . . . . . . . . . . . . 50201 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50201 _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' . . . Escherichia coli BL21(DE3) . . plasmid . . pGEX6p2 . . . 50201 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50201 _Sample.ID 1 _Sample.Name Cx43CL _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Cx43CL domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 50201 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 50201 1 3 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 50201 1 4 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 50201 1 5 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 50201 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 50201 _Sample_condition_list.ID 1 _Sample_condition_list.Name Sample_condition_list.Cx43CL _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.154 . M 50201 1 pH 5.8 . pH 50201 1 pressure 1 . atm 50201 1 temperature 280 . K 50201 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50201 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version 5.2.2.01 _Software.DOI . _Software.Details 'Visualization and analysis of processed NMR data' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50201 1 'data analysis' . 50201 1 'peak picking' . 50201 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50201 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details 'Processing of the NMR data' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50201 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50201 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian INOVA' _NMR_spectrometer.Details 'Outfitted with a cryo-probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50201 _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 . . . . . . . . . . . . . . . . . 50201 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50201 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50201 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50201 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50201 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50201 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50201 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50201 1 9 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50201 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50201 1 11 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50201 1 12 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50201 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 50201 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Chem_shift_reference.Cx43CL _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 water protons . . . . ppm 45.907 internal direct 1 . . . . . 50201 1 H 1 water protons . . . . ppm 4.945 internal direct 1 . . . . . 50201 1 N 15 water protons . . . . ppm 120.25 internal direct 1 . . . . . 50201 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 50201 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assigned_chem_shift_list.Cx43CL _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' . . . 50201 1 2 '3D CBCA(CO)NH' . . . 50201 1 3 '3D HNCACB' . . . 50201 1 4 '3D HNCO' . . . 50201 1 5 '3D 1H-15N TOCSY' . . . 50201 1 6 '3D 1H-15N NOESY' . . . 50201 1 7 '3D 1H-13C NOESY' . . . 50201 1 8 '3D HCCH-TOCSY' . . . 50201 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50201 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO HA H 1 4.486 0.05 . 1 . . . . . 2 PRO HA . 50201 1 2 . 1 . 1 3 3 LEU H H 1 8.656 0.05 . 1 . . . . . 3 LEU HN . 50201 1 3 . 1 . 1 3 3 LEU HA H 1 4.321 0.05 . 1 . . . . . 3 LEU HA . 50201 1 4 . 1 . 1 3 3 LEU HB2 H 1 1.664 0.05 . 2 . . . . . 3 LEU HB1 . 50201 1 5 . 1 . 1 3 3 LEU HB3 H 1 1.664 0.05 . 2 . . . . . 3 LEU HB2 . 50201 1 6 . 1 . 1 3 3 LEU HG H 1 1.597 0.05 . 1 . . . . . 3 LEU HG . 50201 1 7 . 1 . 1 3 3 LEU HD11 H 1 0.842 0.05 . 2 . . . . . 3 LEU HD11 . 50201 1 8 . 1 . 1 3 3 LEU HD12 H 1 0.842 0.05 . 2 . . . . . 3 LEU HD11 . 50201 1 9 . 1 . 1 3 3 LEU HD13 H 1 0.842 0.05 . 2 . . . . . 3 LEU HD11 . 50201 1 10 . 1 . 1 3 3 LEU HD21 H 1 0.921 0.05 . 2 . . . . . 3 LEU HD21 . 50201 1 11 . 1 . 1 3 3 LEU HD22 H 1 0.921 0.05 . 2 . . . . . 3 LEU HD21 . 50201 1 12 . 1 . 1 3 3 LEU HD23 H 1 0.921 0.05 . 2 . . . . . 3 LEU HD21 . 50201 1 13 . 1 . 1 3 3 LEU C C 13 172.970 0.5 . 1 . . . . . 3 LEU C . 50201 1 14 . 1 . 1 3 3 LEU CA C 13 55.660 0.5 . 1 . . . . . 3 LEU CA . 50201 1 15 . 1 . 1 3 3 LEU CB C 13 41.910 0.5 . 1 . . . . . 3 LEU CB . 50201 1 16 . 1 . 1 3 3 LEU CG C 13 27.070 0.5 . 1 . . . . . 3 LEU CG . 50201 1 17 . 1 . 1 3 3 LEU CD1 C 13 23.520 0.5 . 1 . . . . . 3 LEU CD1 . 50201 1 18 . 1 . 1 3 3 LEU CD2 C 13 25.020 0.5 . 1 . . . . . 3 LEU CD2 . 50201 1 19 . 1 . 1 3 3 LEU N N 15 122.837 0.5 . 1 . . . . . 3 LEU N . 50201 1 20 . 1 . 1 4 4 GLY H H 1 8.524 0.05 . 1 . . . . . 4 GLY HN . 50201 1 21 . 1 . 1 4 4 GLY HA2 H 1 3.981 0.05 . 2 . . . . . 4 GLY HA1 . 50201 1 22 . 1 . 1 4 4 GLY HA3 H 1 3.981 0.05 . 2 . . . . . 4 GLY HA2 . 50201 1 23 . 1 . 1 4 4 GLY C C 13 176.800 0.5 . 1 . . . . . 4 GLY C . 50201 1 24 . 1 . 1 4 4 GLY CA C 13 45.090 0.5 . 1 . . . . . 4 GLY CA . 50201 1 25 . 1 . 1 4 4 GLY N N 15 110.130 0.5 . 1 . . . . . 4 GLY N . 50201 1 26 . 1 . 1 5 5 SER H H 1 8.264 0.05 . 1 . . . . . 5 SER HN . 50201 1 27 . 1 . 1 5 5 SER HA H 1 4.437 0.05 . 1 . . . . . 5 SER HA . 50201 1 28 . 1 . 1 5 5 SER HB2 H 1 3.917 0.05 . 2 . . . . . 5 SER HB1 . 50201 1 29 . 1 . 1 5 5 SER HB3 H 1 3.917 0.05 . 2 . . . . . 5 SER HB2 . 50201 1 30 . 1 . 1 5 5 SER C C 13 176.900 0.5 . 1 . . . . . 5 SER C . 50201 1 31 . 1 . 1 5 5 SER CA C 13 58.180 0.5 . 1 . . . . . 5 SER CA . 50201 1 32 . 1 . 1 5 5 SER CB C 13 63.770 0.5 . 1 . . . . . 5 SER CB . 50201 1 33 . 1 . 1 5 5 SER N N 15 115.665 0.5 . 1 . . . . . 5 SER N . 50201 1 34 . 1 . 1 6 6 MET H H 1 8.468 0.05 . 1 . . . . . 6 MET HN . 50201 1 35 . 1 . 1 6 6 MET HA H 1 4.503 0.05 . 1 . . . . . 6 MET HA . 50201 1 36 . 1 . 1 6 6 MET HB2 H 1 2.092 0.05 . 2 . . . . . 6 MET HB1 . 50201 1 37 . 1 . 1 6 6 MET HB3 H 1 2.027 0.05 . 2 . . . . . 6 MET HB2 . 50201 1 38 . 1 . 1 6 6 MET HG2 H 1 2.549 0.05 . 2 . . . . . 6 MET HG1 . 50201 1 39 . 1 . 1 6 6 MET HG3 H 1 2.549 0.05 . 2 . . . . . 6 MET HG2 . 50201 1 40 . 1 . 1 6 6 MET HE1 H 1 2.162 0.05 . 1 . . . . . 6 MET HE1 . 50201 1 41 . 1 . 1 6 6 MET HE2 H 1 2.162 0.05 . 1 . . . . . 6 MET HE1 . 50201 1 42 . 1 . 1 6 6 MET HE3 H 1 2.162 0.05 . 1 . . . . . 6 MET HE1 . 50201 1 43 . 1 . 1 6 6 MET C C 13 174.950 0.5 . 1 . . . . . 6 MET C . 50201 1 44 . 1 . 1 6 6 MET CA C 13 55.700 0.5 . 1 . . . . . 6 MET CA . 50201 1 45 . 1 . 1 6 6 MET CB C 13 32.540 0.5 . 1 . . . . . 6 MET CB . 50201 1 46 . 1 . 1 6 6 MET CG C 13 31.910 0.5 . 1 . . . . . 6 MET CG . 50201 1 47 . 1 . 1 6 6 MET N N 15 122.408 0.5 . 1 . . . . . 6 MET N . 50201 1 48 . 1 . 1 7 7 ARG H H 1 8.404 0.05 . 1 . . . . . 7 ARG HN . 50201 1 49 . 1 . 1 7 7 ARG HA H 1 4.306 0.05 . 1 . . . . . 7 ARG HA . 50201 1 50 . 1 . 1 7 7 ARG HB2 H 1 1.767 0.05 . 2 . . . . . 7 ARG HB1 . 50201 1 51 . 1 . 1 7 7 ARG HB3 H 1 1.767 0.05 . 2 . . . . . 7 ARG HB2 . 50201 1 52 . 1 . 1 7 7 ARG HG2 H 1 1.615 0.05 . 2 . . . . . 7 ARG HG1 . 50201 1 53 . 1 . 1 7 7 ARG HG3 H 1 1.615 0.05 . 2 . . . . . 7 ARG HG2 . 50201 1 54 . 1 . 1 7 7 ARG HD2 H 1 3.200 0.05 . 2 . . . . . 7 ARG HD1 . 50201 1 55 . 1 . 1 7 7 ARG HD3 H 1 3.200 0.05 . 2 . . . . . 7 ARG HD2 . 50201 1 56 . 1 . 1 7 7 ARG C C 13 174.750 0.5 . 1 . . . . . 7 ARG C . 50201 1 57 . 1 . 1 7 7 ARG CA C 13 56.300 0.5 . 1 . . . . . 7 ARG CA . 50201 1 58 . 1 . 1 7 7 ARG CB C 13 30.670 0.5 . 1 . . . . . 7 ARG CB . 50201 1 59 . 1 . 1 7 7 ARG CG C 13 27.030 0.5 . 1 . . . . . 7 ARG CG . 50201 1 60 . 1 . 1 7 7 ARG CD C 13 43.450 0.5 . 1 . . . . . 7 ARG CD . 50201 1 61 . 1 . 1 7 7 ARG N N 15 122.901 0.5 . 1 . . . . . 7 ARG N . 50201 1 62 . 1 . 1 8 8 LYS H H 1 8.554 0.05 . 1 . . . . . 8 LYS HN . 50201 1 63 . 1 . 1 8 8 LYS HA H 1 4.242 0.05 . 1 . . . . . 8 LYS HA . 50201 1 64 . 1 . 1 8 8 LYS HB2 H 1 1.803 0.05 . 2 . . . . . 8 LYS HB1 . 50201 1 65 . 1 . 1 8 8 LYS HB3 H 1 1.757 0.05 . 2 . . . . . 8 LYS HB2 . 50201 1 66 . 1 . 1 8 8 LYS HG2 H 1 1.440 0.05 . 2 . . . . . 8 LYS HG1 . 50201 1 67 . 1 . 1 8 8 LYS HG3 H 1 1.440 0.05 . 2 . . . . . 8 LYS HG2 . 50201 1 68 . 1 . 1 8 8 LYS HD2 H 1 1.728 0.05 . 2 . . . . . 8 LYS HD1 . 50201 1 69 . 1 . 1 8 8 LYS HD3 H 1 1.728 0.05 . 2 . . . . . 8 LYS HD2 . 50201 1 70 . 1 . 1 8 8 LYS HE2 H 1 2.972 0.05 . 2 . . . . . 8 LYS HE1 . 50201 1 71 . 1 . 1 8 8 LYS HE3 H 1 2.972 0.05 . 2 . . . . . 8 LYS HE2 . 50201 1 72 . 1 . 1 8 8 LYS C C 13 174.560 0.5 . 1 . . . . . 8 LYS C . 50201 1 73 . 1 . 1 8 8 LYS CA C 13 56.910 0.5 . 1 . . . . . 8 LYS CA . 50201 1 74 . 1 . 1 8 8 LYS CB C 13 32.530 0.5 . 1 . . . . . 8 LYS CB . 50201 1 75 . 1 . 1 8 8 LYS CG C 13 25.040 0.5 . 1 . . . . . 8 LYS CG . 50201 1 76 . 1 . 1 8 8 LYS CD C 13 29.036 0.5 . 1 . . . . . 8 LYS CD . 50201 1 77 . 1 . 1 8 8 LYS CE C 13 42.015 0.5 . 1 . . . . . 8 LYS CE . 50201 1 78 . 1 . 1 8 8 LYS N N 15 123.998 0.5 . 1 . . . . . 8 LYS N . 50201 1 79 . 1 . 1 9 9 GLU H H 1 8.652 0.05 . 1 . . . . . 9 GLU HN . 50201 1 80 . 1 . 1 9 9 GLU HA H 1 4.243 0.05 . 1 . . . . . 9 GLU HA . 50201 1 81 . 1 . 1 9 9 GLU HB2 H 1 2.026 0.05 . 2 . . . . . 9 GLU HB1 . 50201 1 82 . 1 . 1 9 9 GLU HB3 H 1 1.921 0.05 . 2 . . . . . 9 GLU HB2 . 50201 1 83 . 1 . 1 9 9 GLU HG2 H 1 2.288 0.05 . 2 . . . . . 9 GLU HG1 . 50201 1 84 . 1 . 1 9 9 GLU HG3 H 1 2.288 0.05 . 2 . . . . . 9 GLU HG2 . 50201 1 85 . 1 . 1 9 9 GLU C C 13 174.750 0.5 . 1 . . . . . 9 GLU C . 50201 1 86 . 1 . 1 9 9 GLU CA C 13 55.650 0.5 . 1 . . . . . 9 GLU CA . 50201 1 87 . 1 . 1 9 9 GLU CB C 13 30.020 0.5 . 1 . . . . . 9 GLU CB . 50201 1 88 . 1 . 1 9 9 GLU CG C 13 36.040 0.5 . 1 . . . . . 9 GLU CG . 50201 1 89 . 1 . 1 9 9 GLU N N 15 122.858 0.5 . 1 . . . . . 9 GLU N . 50201 1 90 . 1 . 1 10 10 GLU H H 1 8.460 0.05 . 1 . . . . . 10 GLU HN . 50201 1 91 . 1 . 1 10 10 GLU HA H 1 4.243 0.05 . 1 . . . . . 10 GLU HA . 50201 1 92 . 1 . 1 10 10 GLU HB2 H 1 1.930 0.05 . 2 . . . . . 10 GLU HB1 . 50201 1 93 . 1 . 1 10 10 GLU HB3 H 1 1.930 0.05 . 2 . . . . . 10 GLU HB2 . 50201 1 94 . 1 . 1 10 10 GLU HG2 H 1 2.200 0.05 . 2 . . . . . 10 GLU HG1 . 50201 1 95 . 1 . 1 10 10 GLU HG3 H 1 2.200 0.05 . 2 . . . . . 10 GLU HG2 . 50201 1 96 . 1 . 1 10 10 GLU C C 13 174.750 0.5 . 1 . . . . . 10 GLU C . 50201 1 97 . 1 . 1 10 10 GLU CA C 13 55.650 0.5 . 1 . . . . . 10 GLU CA . 50201 1 98 . 1 . 1 10 10 GLU CB C 13 30.030 0.5 . 1 . . . . . 10 GLU CB . 50201 1 99 . 1 . 1 10 10 GLU CG C 13 36.050 0.5 . 1 . . . . . 10 GLU CG . 50201 1 100 . 1 . 1 10 10 GLU N N 15 122.750 0.5 . 1 . . . . . 10 GLU N . 50201 1 101 . 1 . 1 11 11 LYS H H 1 8.460 0.05 . 1 . . . . . 11 LYS HN . 50201 1 102 . 1 . 1 11 11 LYS HA H 1 4.243 0.05 . 1 . . . . . 11 LYS HA . 50201 1 103 . 1 . 1 11 11 LYS HB2 H 1 1.831 0.05 . 2 . . . . . 11 LYS HB1 . 50201 1 104 . 1 . 1 11 11 LYS HB3 H 1 1.768 0.05 . 2 . . . . . 11 LYS HB2 . 50201 1 105 . 1 . 1 11 11 LYS HG2 H 1 1.441 0.05 . 2 . . . . . 11 LYS HG1 . 50201 1 106 . 1 . 1 11 11 LYS HG3 H 1 1.441 0.05 . 2 . . . . . 11 LYS HG2 . 50201 1 107 . 1 . 1 11 11 LYS HD2 H 1 1.662 0.05 . 2 . . . . . 11 LYS HD1 . 50201 1 108 . 1 . 1 11 11 LYS HD3 H 1 1.662 0.05 . 2 . . . . . 11 LYS HD2 . 50201 1 109 . 1 . 1 11 11 LYS HE2 H 1 3.004 0.05 . 2 . . . . . 11 LYS HE1 . 50201 1 110 . 1 . 1 11 11 LYS HE3 H 1 3.004 0.05 . 2 . . . . . 11 LYS HE2 . 50201 1 111 . 1 . 1 11 11 LYS C C 13 174.560 0.5 . 1 . . . . . 11 LYS C . 50201 1 112 . 1 . 1 11 11 LYS CA C 13 56.280 0.5 . 1 . . . . . 11 LYS CA . 50201 1 113 . 1 . 1 11 11 LYS CB C 13 32.530 0.5 . 1 . . . . . 11 LYS CB . 50201 1 114 . 1 . 1 11 11 LYS CG C 13 25.040 0.5 . 1 . . . . . 11 LYS CG . 50201 1 115 . 1 . 1 11 11 LYS CD C 13 29.040 0.5 . 1 . . . . . 11 LYS CD . 50201 1 116 . 1 . 1 11 11 LYS CE C 13 42.040 0.5 . 1 . . . . . 11 LYS CE . 50201 1 117 . 1 . 1 11 11 LYS N N 15 122.757 0.5 . 1 . . . . . 11 LYS N . 50201 1 118 . 1 . 1 12 12 LEU H H 1 8.350 0.05 . 1 . . . . . 12 LEU HN . 50201 1 119 . 1 . 1 12 12 LEU HA H 1 4.306 0.05 . 1 . . . . . 12 LEU HA . 50201 1 120 . 1 . 1 12 12 LEU HB2 H 1 1.595 0.05 . 2 . . . . . 12 LEU HB1 . 50201 1 121 . 1 . 1 12 12 LEU HB3 H 1 1.595 0.05 . 2 . . . . . 12 LEU HB2 . 50201 1 122 . 1 . 1 12 12 LEU HG H 1 1.656 0.05 . 1 . . . . . 12 LEU HG . 50201 1 123 . 1 . 1 12 12 LEU HD11 H 1 0.840 0.05 . 2 . . . . . 12 LEU HD11 . 50201 1 124 . 1 . 1 12 12 LEU HD12 H 1 0.840 0.05 . 2 . . . . . 12 LEU HD11 . 50201 1 125 . 1 . 1 12 12 LEU HD13 H 1 0.840 0.05 . 2 . . . . . 12 LEU HD11 . 50201 1 126 . 1 . 1 12 12 LEU HD21 H 1 0.897 0.05 . 2 . . . . . 12 LEU HD21 . 50201 1 127 . 1 . 1 12 12 LEU HD22 H 1 0.897 0.05 . 2 . . . . . 12 LEU HD21 . 50201 1 128 . 1 . 1 12 12 LEU HD23 H 1 0.897 0.05 . 2 . . . . . 12 LEU HD21 . 50201 1 129 . 1 . 1 12 12 LEU C C 13 173.970 0.5 . 1 . . . . . 12 LEU C . 50201 1 130 . 1 . 1 12 12 LEU CA C 13 55.040 0.5 . 1 . . . . . 12 LEU CA . 50201 1 131 . 1 . 1 12 12 LEU CB C 13 42.520 0.5 . 1 . . . . . 12 LEU CB . 50201 1 132 . 1 . 1 12 12 LEU CG C 13 27.010 0.5 . 1 . . . . . 12 LEU CG . 50201 1 133 . 1 . 1 12 12 LEU CD1 C 13 23.520 0.5 . 1 . . . . . 12 LEU CD1 . 50201 1 134 . 1 . 1 12 12 LEU CD2 C 13 25.020 0.5 . 1 . . . . . 12 LEU CD2 . 50201 1 135 . 1 . 1 12 12 LEU N N 15 123.436 0.5 . 1 . . . . . 12 LEU N . 50201 1 136 . 1 . 1 13 13 ASN H H 1 8.556 0.05 . 1 . . . . . 13 ASN HN . 50201 1 137 . 1 . 1 13 13 ASN HA H 1 4.697 0.05 . 1 . . . . . 13 ASN HA . 50201 1 138 . 1 . 1 13 13 ASN HB2 H 1 2.809 0.05 . 2 . . . . . 13 ASN HB1 . 50201 1 139 . 1 . 1 13 13 ASN HB3 H 1 2.809 0.05 . 2 . . . . . 13 ASN HB2 . 50201 1 140 . 1 . 1 13 13 ASN HD21 H 1 7.043 0.05 . 2 . . . . . 13 ASN HD21 . 50201 1 141 . 1 . 1 13 13 ASN HD22 H 1 7.752 0.05 . 2 . . . . . 13 ASN HD22 . 50201 1 142 . 1 . 1 13 13 ASN C C 13 174.560 0.5 . 1 . . . . . 13 ASN C . 50201 1 143 . 1 . 1 13 13 ASN CA C 13 53.160 0.5 . 1 . . . . . 13 ASN CA . 50201 1 144 . 1 . 1 13 13 ASN CB C 13 38.780 0.5 . 1 . . . . . 13 ASN CB . 50201 1 145 . 1 . 1 13 13 ASN N N 15 120.074 0.5 . 1 . . . . . 13 ASN N . 50201 1 146 . 1 . 1 14 14 LYS H H 1 8.334 0.05 . 1 . . . . . 14 LYS HN . 50201 1 147 . 1 . 1 14 14 LYS HA H 1 4.242 0.05 . 1 . . . . . 14 LYS HA . 50201 1 148 . 1 . 1 14 14 LYS HB2 H 1 1.769 0.05 . 2 . . . . . 14 LYS HB1 . 50201 1 149 . 1 . 1 14 14 LYS HB3 H 1 1.769 0.05 . 2 . . . . . 14 LYS HB2 . 50201 1 150 . 1 . 1 14 14 LYS HG2 H 1 1.441 0.05 . 2 . . . . . 14 LYS HG1 . 50201 1 151 . 1 . 1 14 14 LYS HG3 H 1 1.441 0.05 . 2 . . . . . 14 LYS HG2 . 50201 1 152 . 1 . 1 14 14 LYS HD2 H 1 1.663 0.05 . 2 . . . . . 14 LYS HD1 . 50201 1 153 . 1 . 1 14 14 LYS HD3 H 1 1.663 0.05 . 2 . . . . . 14 LYS HD2 . 50201 1 154 . 1 . 1 14 14 LYS HE2 H 1 3.005 0.05 . 2 . . . . . 14 LYS HE1 . 50201 1 155 . 1 . 1 14 14 LYS HE3 H 1 3.005 0.05 . 2 . . . . . 14 LYS HE2 . 50201 1 156 . 1 . 1 14 14 LYS C C 13 174.360 0.5 . 1 . . . . . 14 LYS C . 50201 1 157 . 1 . 1 14 14 LYS CA C 13 56.900 0.5 . 1 . . . . . 14 LYS CA . 50201 1 158 . 1 . 1 14 14 LYS CB C 13 32.530 0.5 . 1 . . . . . 14 LYS CB . 50201 1 159 . 1 . 1 14 14 LYS CG C 13 25.030 0.5 . 1 . . . . . 14 LYS CG . 50201 1 160 . 1 . 1 14 14 LYS CD C 13 29.060 0.5 . 1 . . . . . 14 LYS CD . 50201 1 161 . 1 . 1 14 14 LYS CE C 13 42.030 0.5 . 1 . . . . . 14 LYS CE . 50201 1 162 . 1 . 1 14 14 LYS N N 15 122.285 0.5 . 1 . . . . . 14 LYS N . 50201 1 163 . 1 . 1 15 15 LYS H H 1 8.442 0.05 . 1 . . . . . 15 LYS HN . 50201 1 164 . 1 . 1 15 15 LYS HA H 1 4.242 0.05 . 1 . . . . . 15 LYS HA . 50201 1 165 . 1 . 1 15 15 LYS HB2 H 1 1.830 0.05 . 2 . . . . . 15 LYS HB1 . 50201 1 166 . 1 . 1 15 15 LYS HB3 H 1 1.830 0.05 . 2 . . . . . 15 LYS HB2 . 50201 1 167 . 1 . 1 15 15 LYS HG2 H 1 1.420 0.05 . 2 . . . . . 15 LYS HG1 . 50201 1 168 . 1 . 1 15 15 LYS HG3 H 1 1.420 0.05 . 2 . . . . . 15 LYS HG2 . 50201 1 169 . 1 . 1 15 15 LYS HD2 H 1 1.660 0.05 . 2 . . . . . 15 LYS HD1 . 50201 1 170 . 1 . 1 15 15 LYS HD3 H 1 1.660 0.05 . 2 . . . . . 15 LYS HD2 . 50201 1 171 . 1 . 1 15 15 LYS HE2 H 1 2.985 0.05 . 2 . . . . . 15 LYS HE1 . 50201 1 172 . 1 . 1 15 15 LYS HE3 H 1 2.985 0.05 . 2 . . . . . 15 LYS HE2 . 50201 1 173 . 1 . 1 15 15 LYS C C 13 173.980 0.5 . 1 . . . . . 15 LYS C . 50201 1 174 . 1 . 1 15 15 LYS CA C 13 56.910 0.5 . 1 . . . . . 15 LYS CA . 50201 1 175 . 1 . 1 15 15 LYS CB C 13 32.540 0.5 . 1 . . . . . 15 LYS CB . 50201 1 176 . 1 . 1 15 15 LYS CG C 13 25.030 0.5 . 1 . . . . . 15 LYS CG . 50201 1 177 . 1 . 1 15 15 LYS CD C 13 29.060 0.5 . 1 . . . . . 15 LYS CD . 50201 1 178 . 1 . 1 15 15 LYS CE C 13 42.030 0.5 . 1 . . . . . 15 LYS CE . 50201 1 179 . 1 . 1 15 15 LYS N N 15 122.800 0.5 . 1 . . . . . 15 LYS N . 50201 1 180 . 1 . 1 16 16 GLU H H 1 8.525 0.05 . 1 . . . . . 16 GLU HN . 50201 1 181 . 1 . 1 16 16 GLU HA H 1 4.228 0.05 . 1 . . . . . 16 GLU HA . 50201 1 182 . 1 . 1 16 16 GLU HB2 H 1 2.027 0.05 . 2 . . . . . 16 GLU HB1 . 50201 1 183 . 1 . 1 16 16 GLU HB3 H 1 1.962 0.05 . 2 . . . . . 16 GLU HB2 . 50201 1 184 . 1 . 1 16 16 GLU HG2 H 1 2.288 0.05 . 2 . . . . . 16 GLU HG1 . 50201 1 185 . 1 . 1 16 16 GLU HG3 H 1 2.288 0.05 . 2 . . . . . 16 GLU HG2 . 50201 1 186 . 1 . 1 16 16 GLU C C 13 173.970 0.5 . 1 . . . . . 16 GLU C . 50201 1 187 . 1 . 1 16 16 GLU CA C 13 56.910 0.5 . 1 . . . . . 16 GLU CA . 50201 1 188 . 1 . 1 16 16 GLU CB C 13 30.030 0.5 . 1 . . . . . 16 GLU CB . 50201 1 189 . 1 . 1 16 16 GLU CG C 13 36.040 0.5 . 1 . . . . . 16 GLU CG . 50201 1 190 . 1 . 1 16 16 GLU N N 15 122.028 0.5 . 1 . . . . . 16 GLU N . 50201 1 191 . 1 . 1 17 17 GLU H H 1 8.488 0.05 . 1 . . . . . 17 GLU HN . 50201 1 192 . 1 . 1 17 17 GLU HA H 1 4.177 0.05 . 1 . . . . . 17 GLU HA . 50201 1 193 . 1 . 1 17 17 GLU HB2 H 1 2.028 0.05 . 2 . . . . . 17 GLU HB1 . 50201 1 194 . 1 . 1 17 17 GLU HB3 H 1 1.962 0.05 . 2 . . . . . 17 GLU HB2 . 50201 1 195 . 1 . 1 17 17 GLU HG2 H 1 2.289 0.05 . 2 . . . . . 17 GLU HG1 . 50201 1 196 . 1 . 1 17 17 GLU HG3 H 1 2.289 0.05 . 2 . . . . . 17 GLU HG2 . 50201 1 197 . 1 . 1 17 17 GLU C C 13 174.160 0.5 . 1 . . . . . 17 GLU C . 50201 1 198 . 1 . 1 17 17 GLU CA C 13 56.540 0.5 . 1 . . . . . 17 GLU CA . 50201 1 199 . 1 . 1 17 17 GLU CB C 13 30.660 0.5 . 1 . . . . . 17 GLU CB . 50201 1 200 . 1 . 1 17 17 GLU CG C 13 36.040 0.5 . 1 . . . . . 17 GLU CG . 50201 1 201 . 1 . 1 17 17 GLU N N 15 121.579 0.5 . 1 . . . . . 17 GLU N . 50201 1 202 . 1 . 1 18 18 GLU H H 1 8.388 0.05 . 1 . . . . . 18 GLU HN . 50201 1 203 . 1 . 1 18 18 GLU HA H 1 4.226 0.05 . 1 . . . . . 18 GLU HA . 50201 1 204 . 1 . 1 18 18 GLU HB2 H 1 2.026 0.05 . 2 . . . . . 18 GLU HB1 . 50201 1 205 . 1 . 1 18 18 GLU HB3 H 1 2.026 0.05 . 2 . . . . . 18 GLU HB2 . 50201 1 206 . 1 . 1 18 18 GLU HG2 H 1 2.351 0.05 . 2 . . . . . 18 GLU HG1 . 50201 1 207 . 1 . 1 18 18 GLU HG3 H 1 2.351 0.05 . 2 . . . . . 18 GLU HG2 . 50201 1 208 . 1 . 1 18 18 GLU CA C 13 56.300 0.5 . 1 . . . . . 18 GLU CA . 50201 1 209 . 1 . 1 18 18 GLU CB C 13 30.020 0.5 . 1 . . . . . 18 GLU CB . 50201 1 210 . 1 . 1 18 18 GLU CG C 13 36.040 0.5 . 1 . . . . . 18 GLU CG . 50201 1 211 . 1 . 1 18 18 GLU N N 15 121.858 0.5 . 1 . . . . . 18 GLU N . 50201 1 212 . 1 . 1 19 19 LEU H H 1 8.253 0.05 . 1 . . . . . 19 LEU HN . 50201 1 213 . 1 . 1 19 19 LEU HA H 1 4.307 0.05 . 1 . . . . . 19 LEU HA . 50201 1 214 . 1 . 1 19 19 LEU HB2 H 1 1.662 0.05 . 2 . . . . . 19 LEU HB1 . 50201 1 215 . 1 . 1 19 19 LEU HB3 H 1 1.662 0.05 . 2 . . . . . 19 LEU HB2 . 50201 1 216 . 1 . 1 19 19 LEU HG H 1 1.600 0.05 . 1 . . . . . 19 LEU HG . 50201 1 217 . 1 . 1 19 19 LEU HD11 H 1 0.842 0.05 . 2 . . . . . 19 LEU HD11 . 50201 1 218 . 1 . 1 19 19 LEU HD12 H 1 0.842 0.05 . 2 . . . . . 19 LEU HD11 . 50201 1 219 . 1 . 1 19 19 LEU HD13 H 1 0.842 0.05 . 2 . . . . . 19 LEU HD11 . 50201 1 220 . 1 . 1 19 19 LEU HD21 H 1 0.894 0.05 . 2 . . . . . 19 LEU HD21 . 50201 1 221 . 1 . 1 19 19 LEU HD22 H 1 0.894 0.05 . 2 . . . . . 19 LEU HD21 . 50201 1 222 . 1 . 1 19 19 LEU HD23 H 1 0.894 0.05 . 2 . . . . . 19 LEU HD21 . 50201 1 223 . 1 . 1 19 19 LEU C C 13 173.590 0.5 . 1 . . . . . 19 LEU C . 50201 1 224 . 1 . 1 19 19 LEU CA C 13 55.650 0.5 . 1 . . . . . 19 LEU CA . 50201 1 225 . 1 . 1 19 19 LEU CB C 13 41.920 0.5 . 1 . . . . . 19 LEU CB . 50201 1 226 . 1 . 1 19 19 LEU CG C 13 27.030 0.5 . 1 . . . . . 19 LEU CG . 50201 1 227 . 1 . 1 19 19 LEU CD1 C 13 23.520 0.5 . 1 . . . . . 19 LEU CD1 . 50201 1 228 . 1 . 1 19 19 LEU CD2 C 13 25.040 0.5 . 1 . . . . . 19 LEU CD2 . 50201 1 229 . 1 . 1 19 19 LEU N N 15 123.274 0.5 . 1 . . . . . 19 LEU N . 50201 1 230 . 1 . 1 20 20 LYS H H 1 8.272 0.05 . 1 . . . . . 20 LYS HN . 50201 1 231 . 1 . 1 20 20 LYS HA H 1 4.307 0.05 . 1 . . . . . 20 LYS HA . 50201 1 232 . 1 . 1 20 20 LYS HB2 H 1 1.806 0.05 . 2 . . . . . 20 LYS HB1 . 50201 1 233 . 1 . 1 20 20 LYS HB3 H 1 1.768 0.05 . 2 . . . . . 20 LYS HB2 . 50201 1 234 . 1 . 1 20 20 LYS HG2 H 1 1.440 0.05 . 2 . . . . . 20 LYS HG1 . 50201 1 235 . 1 . 1 20 20 LYS HG3 H 1 1.440 0.05 . 2 . . . . . 20 LYS HG2 . 50201 1 236 . 1 . 1 20 20 LYS HD2 H 1 1.662 0.05 . 2 . . . . . 20 LYS HD1 . 50201 1 237 . 1 . 1 20 20 LYS HD3 H 1 1.662 0.05 . 2 . . . . . 20 LYS HD2 . 50201 1 238 . 1 . 1 20 20 LYS HE2 H 1 2.968 0.05 . 2 . . . . . 20 LYS HE1 . 50201 1 239 . 1 . 1 20 20 LYS HE3 H 1 2.968 0.05 . 2 . . . . . 20 LYS HE2 . 50201 1 240 . 1 . 1 20 20 LYS C C 13 173.780 0.5 . 1 . . . . . 20 LYS C . 50201 1 241 . 1 . 1 20 20 LYS CA C 13 56.290 0.5 . 1 . . . . . 20 LYS CA . 50201 1 242 . 1 . 1 20 20 LYS CB C 13 32.530 0.5 . 1 . . . . . 20 LYS CB . 50201 1 243 . 1 . 1 20 20 LYS CG C 13 24.990 0.5 . 1 . . . . . 20 LYS CG . 50201 1 244 . 1 . 1 20 20 LYS CD C 13 29.040 0.5 . 1 . . . . . 20 LYS CD . 50201 1 245 . 1 . 1 20 20 LYS CE C 13 42.040 0.5 . 1 . . . . . 20 LYS CE . 50201 1 246 . 1 . 1 20 20 LYS N N 15 122.762 0.5 . 1 . . . . . 20 LYS N . 50201 1 247 . 1 . 1 21 21 VAL H H 1 8.159 0.05 . 1 . . . . . 21 VAL HN . 50201 1 248 . 1 . 1 21 21 VAL HA H 1 4.046 0.05 . 1 . . . . . 21 VAL HA . 50201 1 249 . 1 . 1 21 21 VAL HB H 1 2.027 0.05 . 1 . . . . . 21 VAL HB . 50201 1 250 . 1 . 1 21 21 VAL HG11 H 1 0.986 0.05 . 2 . . . . . 21 VAL HG11 . 50201 1 251 . 1 . 1 21 21 VAL HG12 H 1 0.986 0.05 . 2 . . . . . 21 VAL HG11 . 50201 1 252 . 1 . 1 21 21 VAL HG13 H 1 0.986 0.05 . 2 . . . . . 21 VAL HG11 . 50201 1 253 . 1 . 1 21 21 VAL HG21 H 1 0.921 0.05 . 2 . . . . . 21 VAL HG21 . 50201 1 254 . 1 . 1 21 21 VAL HG22 H 1 0.921 0.05 . 2 . . . . . 21 VAL HG21 . 50201 1 255 . 1 . 1 21 21 VAL HG23 H 1 0.921 0.05 . 2 . . . . . 21 VAL HG21 . 50201 1 256 . 1 . 1 21 21 VAL C C 13 175.050 0.5 . 1 . . . . . 21 VAL C . 50201 1 257 . 1 . 1 21 21 VAL CA C 13 62.530 0.5 . 1 . . . . . 21 VAL CA . 50201 1 258 . 1 . 1 21 21 VAL CB C 13 32.530 0.5 . 1 . . . . . 21 VAL CB . 50201 1 259 . 1 . 1 21 21 VAL CG1 C 13 21.030 0.5 . 1 . . . . . 21 VAL CG1 . 50201 1 260 . 1 . 1 21 21 VAL CG2 C 13 21.030 0.5 . 1 . . . . . 21 VAL CG2 . 50201 1 261 . 1 . 1 21 21 VAL N N 15 121.628 0.5 . 1 . . . . . 21 VAL N . 50201 1 262 . 1 . 1 22 22 ALA H H 1 8.425 0.05 . 1 . . . . . 22 ALA HN . 50201 1 263 . 1 . 1 22 22 ALA HA H 1 4.307 0.05 . 1 . . . . . 22 ALA HA . 50201 1 264 . 1 . 1 22 22 ALA HB1 H 1 1.376 0.05 . 1 . . . . . 22 ALA HB1 . 50201 1 265 . 1 . 1 22 22 ALA HB2 H 1 1.376 0.05 . 1 . . . . . 22 ALA HB1 . 50201 1 266 . 1 . 1 22 22 ALA HB3 H 1 1.376 0.05 . 1 . . . . . 22 ALA HB1 . 50201 1 267 . 1 . 1 22 22 ALA C C 13 173.390 0.5 . 1 . . . . . 22 ALA C . 50201 1 268 . 1 . 1 22 22 ALA CA C 13 52.540 0.5 . 1 . . . . . 22 ALA CA . 50201 1 269 . 1 . 1 22 22 ALA CB C 13 19.410 0.5 . 1 . . . . . 22 ALA CB . 50201 1 270 . 1 . 1 22 22 ALA N N 15 127.709 0.5 . 1 . . . . . 22 ALA N . 50201 1 271 . 1 . 1 23 23 GLN H H 1 8.491 0.05 . 1 . . . . . 23 GLN HN . 50201 1 272 . 1 . 1 23 23 GLN HA H 1 4.371 0.05 . 1 . . . . . 23 GLN HA . 50201 1 273 . 1 . 1 23 23 GLN HB2 H 1 2.113 0.05 . 2 . . . . . 23 GLN HB1 . 50201 1 274 . 1 . 1 23 23 GLN HB3 H 1 2.006 0.05 . 2 . . . . . 23 GLN HB2 . 50201 1 275 . 1 . 1 23 23 GLN HG2 H 1 2.418 0.05 . 2 . . . . . 23 GLN HG1 . 50201 1 276 . 1 . 1 23 23 GLN HG3 H 1 2.418 0.05 . 2 . . . . . 23 GLN HG2 . 50201 1 277 . 1 . 1 23 23 GLN HE21 H 1 6.976 0.05 . 2 . . . . . 23 GLN HE21 . 50201 1 278 . 1 . 1 23 23 GLN HE22 H 1 7.694 0.05 . 2 . . . . . 23 GLN HE22 . 50201 1 279 . 1 . 1 23 23 GLN C C 13 174.750 0.5 . 1 . . . . . 23 GLN C . 50201 1 280 . 1 . 1 23 23 GLN CA C 13 55.660 0.5 . 1 . . . . . 23 GLN CA . 50201 1 281 . 1 . 1 23 23 GLN CB C 13 29.410 0.5 . 1 . . . . . 23 GLN CB . 50201 1 282 . 1 . 1 23 23 GLN CG C 13 34.020 0.5 . 1 . . . . . 23 GLN CG . 50201 1 283 . 1 . 1 23 23 GLN N N 15 120.278 0.5 . 1 . . . . . 23 GLN N . 50201 1 284 . 1 . 1 24 24 THR H H 1 8.314 0.05 . 1 . . . . . 24 THR HN . 50201 1 285 . 1 . 1 24 24 THR HA H 1 4.379 0.05 . 1 . . . . . 24 THR HA . 50201 1 286 . 1 . 1 24 24 THR HB H 1 4.255 0.05 . 1 . . . . . 24 THR HB . 50201 1 287 . 1 . 1 24 24 THR HG21 H 1 1.181 0.05 . 1 . . . . . 24 THR HG21 . 50201 1 288 . 1 . 1 24 24 THR HG22 H 1 1.181 0.05 . 1 . . . . . 24 THR HG21 . 50201 1 289 . 1 . 1 24 24 THR HG23 H 1 1.181 0.05 . 1 . . . . . 24 THR HG21 . 50201 1 290 . 1 . 1 24 24 THR C C 13 176.710 0.5 . 1 . . . . . 24 THR C . 50201 1 291 . 1 . 1 24 24 THR CA C 13 61.910 0.5 . 1 . . . . . 24 THR CA . 50201 1 292 . 1 . 1 24 24 THR CB C 13 69.800 0.5 . 1 . . . . . 24 THR CB . 50201 1 293 . 1 . 1 24 24 THR CG2 C 13 21.540 0.5 . 1 . . . . . 24 THR CG2 . 50201 1 294 . 1 . 1 24 24 THR N N 15 115.369 0.5 . 1 . . . . . 24 THR N . 50201 1 295 . 1 . 1 25 25 ASP H H 1 8.481 0.05 . 1 . . . . . 25 ASP HN . 50201 1 296 . 1 . 1 25 25 ASP HA H 1 4.627 0.05 . 1 . . . . . 25 ASP HA . 50201 1 297 . 1 . 1 25 25 ASP HB2 H 1 2.677 0.05 . 2 . . . . . 25 ASP HB1 . 50201 1 298 . 1 . 1 25 25 ASP HB3 H 1 2.677 0.05 . 2 . . . . . 25 ASP HB2 . 50201 1 299 . 1 . 1 25 25 ASP C C 13 174.560 0.5 . 1 . . . . . 25 ASP C . 50201 1 300 . 1 . 1 25 25 ASP CA C 13 54.410 0.5 . 1 . . . . . 25 ASP CA . 50201 1 301 . 1 . 1 25 25 ASP CB C 13 41.270 0.5 . 1 . . . . . 25 ASP CB . 50201 1 302 . 1 . 1 25 25 ASP N N 15 122.892 0.5 . 1 . . . . . 25 ASP N . 50201 1 303 . 1 . 1 26 26 GLY H H 1 8.412 0.05 . 1 . . . . . 26 GLY HN . 50201 1 304 . 1 . 1 26 26 GLY HA2 H 1 3.916 0.05 . 2 . . . . . 26 GLY HA1 . 50201 1 305 . 1 . 1 26 26 GLY HA3 H 1 3.916 0.05 . 2 . . . . . 26 GLY HA2 . 50201 1 306 . 1 . 1 26 26 GLY C C 13 176.900 0.5 . 1 . . . . . 26 GLY C . 50201 1 307 . 1 . 1 26 26 GLY CA C 13 45.660 0.5 . 1 . . . . . 26 GLY CA . 50201 1 308 . 1 . 1 26 26 GLY N N 15 109.241 0.5 . 1 . . . . . 26 GLY N . 50201 1 309 . 1 . 1 27 27 VAL H H 1 8.033 0.05 . 1 . . . . . 27 VAL HN . 50201 1 310 . 1 . 1 27 27 VAL HA H 1 4.049 0.05 . 1 . . . . . 27 VAL HA . 50201 1 311 . 1 . 1 27 27 VAL HB H 1 2.058 0.05 . 1 . . . . . 27 VAL HB . 50201 1 312 . 1 . 1 27 27 VAL HG21 H 1 0.919 0.05 . 2 . . . . . 27 VAL HG21 . 50201 1 313 . 1 . 1 27 27 VAL HG22 H 1 0.919 0.05 . 2 . . . . . 27 VAL HG21 . 50201 1 314 . 1 . 1 27 27 VAL HG23 H 1 0.919 0.05 . 2 . . . . . 27 VAL HG21 . 50201 1 315 . 1 . 1 27 27 VAL C C 13 174.950 0.5 . 1 . . . . . 27 VAL C . 50201 1 316 . 1 . 1 27 27 VAL CA C 13 62.540 0.5 . 1 . . . . . 27 VAL CA . 50201 1 317 . 1 . 1 27 27 VAL CB C 13 32.540 0.5 . 1 . . . . . 27 VAL CB . 50201 1 318 . 1 . 1 27 27 VAL CG2 C 13 21.000 0.5 . 1 . . . . . 27 VAL CG2 . 50201 1 319 . 1 . 1 27 27 VAL N N 15 119.722 0.5 . 1 . . . . . 27 VAL N . 50201 1 320 . 1 . 1 28 28 ASN H H 1 8.618 0.05 . 1 . . . . . 28 ASN HN . 50201 1 321 . 1 . 1 28 28 ASN HA H 1 4.761 0.05 . 1 . . . . . 28 ASN HA . 50201 1 322 . 1 . 1 28 28 ASN HB2 H 1 2.809 0.05 . 2 . . . . . 28 ASN HB1 . 50201 1 323 . 1 . 1 28 28 ASN HB3 H 1 2.809 0.05 . 2 . . . . . 28 ASN HB2 . 50201 1 324 . 1 . 1 28 28 ASN HD21 H 1 7.043 0.05 . 2 . . . . . 28 ASN HD21 . 50201 1 325 . 1 . 1 28 28 ASN HD22 H 1 7.752 0.05 . 2 . . . . . 28 ASN HD22 . 50201 1 326 . 1 . 1 28 28 ASN C C 13 175.140 0.5 . 1 . . . . . 28 ASN C . 50201 1 327 . 1 . 1 28 28 ASN CA C 13 53.160 0.5 . 1 . . . . . 28 ASN CA . 50201 1 328 . 1 . 1 28 28 ASN CB C 13 38.770 0.5 . 1 . . . . . 28 ASN CB . 50201 1 329 . 1 . 1 28 28 ASN N N 15 122.836 0.5 . 1 . . . . . 28 ASN N . 50201 1 330 . 1 . 1 29 29 VAL H H 1 8.226 0.05 . 1 . . . . . 29 VAL HN . 50201 1 331 . 1 . 1 29 29 VAL HA H 1 4.045 0.05 . 1 . . . . . 29 VAL HA . 50201 1 332 . 1 . 1 29 29 VAL HB H 1 2.092 0.05 . 1 . . . . . 29 VAL HB . 50201 1 333 . 1 . 1 29 29 VAL HG11 H 1 0.919 0.05 . 2 . . . . . 29 VAL HG11 . 50201 1 334 . 1 . 1 29 29 VAL HG12 H 1 0.919 0.05 . 2 . . . . . 29 VAL HG11 . 50201 1 335 . 1 . 1 29 29 VAL HG13 H 1 0.919 0.05 . 2 . . . . . 29 VAL HG11 . 50201 1 336 . 1 . 1 29 29 VAL HG21 H 1 0.919 0.05 . 2 . . . . . 29 VAL HG21 . 50201 1 337 . 1 . 1 29 29 VAL HG22 H 1 0.919 0.05 . 2 . . . . . 29 VAL HG21 . 50201 1 338 . 1 . 1 29 29 VAL HG23 H 1 0.919 0.05 . 2 . . . . . 29 VAL HG21 . 50201 1 339 . 1 . 1 29 29 VAL C C 13 174.750 0.5 . 1 . . . . . 29 VAL C . 50201 1 340 . 1 . 1 29 29 VAL CA C 13 63.160 0.5 . 1 . . . . . 29 VAL CA . 50201 1 341 . 1 . 1 29 29 VAL CB C 13 32.530 0.5 . 1 . . . . . 29 VAL CB . 50201 1 342 . 1 . 1 29 29 VAL CG1 C 13 21.016 0.5 . 1 . . . . . 29 VAL CG1 . 50201 1 343 . 1 . 1 29 29 VAL CG2 C 13 21.016 0.5 . 1 . . . . . 29 VAL CG2 . 50201 1 344 . 1 . 1 29 29 VAL N N 15 121.419 0.5 . 1 . . . . . 29 VAL N . 50201 1 345 . 1 . 1 30 30 GLU H H 1 8.473 0.05 . 1 . . . . . 30 GLU HN . 50201 1 346 . 1 . 1 30 30 GLU HA H 1 4.178 0.05 . 1 . . . . . 30 GLU HA . 50201 1 347 . 1 . 1 30 30 GLU HB2 H 1 1.963 0.05 . 2 . . . . . 30 GLU HB1 . 50201 1 348 . 1 . 1 30 30 GLU HB3 H 1 1.963 0.05 . 2 . . . . . 30 GLU HB2 . 50201 1 349 . 1 . 1 30 30 GLU HG2 H 1 2.310 0.05 . 2 . . . . . 30 GLU HG1 . 50201 1 350 . 1 . 1 30 30 GLU HG3 H 1 2.221 0.05 . 2 . . . . . 30 GLU HG2 . 50201 1 351 . 1 . 1 30 30 GLU C C 13 174.170 0.5 . 1 . . . . . 30 GLU C . 50201 1 352 . 1 . 1 30 30 GLU CA C 13 56.920 0.5 . 1 . . . . . 30 GLU CA . 50201 1 353 . 1 . 1 30 30 GLU CB C 13 30.000 0.5 . 1 . . . . . 30 GLU CB . 50201 1 354 . 1 . 1 30 30 GLU CG C 13 36.040 0.5 . 1 . . . . . 30 GLU CG . 50201 1 355 . 1 . 1 30 30 GLU N N 15 123.614 0.5 . 1 . . . . . 30 GLU N . 50201 1 356 . 1 . 1 31 31 MET H H 1 8.347 0.05 . 1 . . . . . 31 MET HN . 50201 1 357 . 1 . 1 31 31 MET HA H 1 4.373 0.05 . 1 . . . . . 31 MET HA . 50201 1 358 . 1 . 1 31 31 MET HB2 H 1 2.028 0.05 . 2 . . . . . 31 MET HB1 . 50201 1 359 . 1 . 1 31 31 MET HB3 H 1 1.962 0.05 . 2 . . . . . 31 MET HB2 . 50201 1 360 . 1 . 1 31 31 MET HG2 H 1 2.571 0.05 . 2 . . . . . 31 MET HG1 . 50201 1 361 . 1 . 1 31 31 MET HG3 H 1 2.497 0.05 . 2 . . . . . 31 MET HG2 . 50201 1 362 . 1 . 1 31 31 MET HE1 H 1 2.108 0.05 . 1 . . . . . 31 MET HE1 . 50201 1 363 . 1 . 1 31 31 MET HE2 H 1 2.108 0.05 . 1 . . . . . 31 MET HE1 . 50201 1 364 . 1 . 1 31 31 MET HE3 H 1 2.108 0.05 . 1 . . . . . 31 MET HE1 . 50201 1 365 . 1 . 1 31 31 MET C C 13 174.560 0.5 . 1 . . . . . 31 MET C . 50201 1 366 . 1 . 1 31 31 MET CA C 13 55.670 0.5 . 1 . . . . . 31 MET CA . 50201 1 367 . 1 . 1 31 31 MET CB C 13 32.540 0.5 . 1 . . . . . 31 MET CB . 50201 1 368 . 1 . 1 31 31 MET CG C 13 32.020 0.5 . 1 . . . . . 31 MET CG . 50201 1 369 . 1 . 1 31 31 MET N N 15 121.092 0.5 . 1 . . . . . 31 MET N . 50201 1 370 . 1 . 1 32 32 HIS H H 1 8.543 0.05 . 1 . . . . . 32 HIS HN . 50201 1 371 . 1 . 1 32 32 HIS HA H 1 4.638 0.05 . 1 . . . . . 32 HIS HA . 50201 1 372 . 1 . 1 32 32 HIS HB2 H 1 3.200 0.05 . 2 . . . . . 32 HIS HB1 . 50201 1 373 . 1 . 1 32 32 HIS HB3 H 1 3.200 0.05 . 2 . . . . . 32 HIS HB2 . 50201 1 374 . 1 . 1 32 32 HIS C C 13 176.120 0.5 . 1 . . . . . 32 HIS C . 50201 1 375 . 1 . 1 32 32 HIS CA C 13 55.660 0.5 . 1 . . . . . 32 HIS CA . 50201 1 376 . 1 . 1 32 32 HIS CB C 13 28.500 0.5 . 1 . . . . . 32 HIS CB . 50201 1 377 . 1 . 1 32 32 HIS N N 15 119.577 0.5 . 1 . . . . . 32 HIS N . 50201 1 378 . 1 . 1 33 33 LEU H H 1 8.333 0.05 . 1 . . . . . 33 LEU HN . 50201 1 379 . 1 . 1 33 33 LEU HA H 1 4.240 0.05 . 1 . . . . . 33 LEU HA . 50201 1 380 . 1 . 1 33 33 LEU HB2 H 1 1.763 0.05 . 2 . . . . . 33 LEU HB1 . 50201 1 381 . 1 . 1 33 33 LEU HB3 H 1 1.763 0.05 . 2 . . . . . 33 LEU HB2 . 50201 1 382 . 1 . 1 33 33 LEU HG H 1 1.660 0.05 . 1 . . . . . 33 LEU HG . 50201 1 383 . 1 . 1 33 33 LEU HD11 H 1 0.840 0.05 . 2 . . . . . 33 LEU HD11 . 50201 1 384 . 1 . 1 33 33 LEU HD12 H 1 0.840 0.05 . 2 . . . . . 33 LEU HD11 . 50201 1 385 . 1 . 1 33 33 LEU HD13 H 1 0.840 0.05 . 2 . . . . . 33 LEU HD11 . 50201 1 386 . 1 . 1 33 33 LEU HD21 H 1 0.900 0.05 . 2 . . . . . 33 LEU HD21 . 50201 1 387 . 1 . 1 33 33 LEU HD22 H 1 0.900 0.05 . 2 . . . . . 33 LEU HD21 . 50201 1 388 . 1 . 1 33 33 LEU HD23 H 1 0.900 0.05 . 2 . . . . . 33 LEU HD21 . 50201 1 389 . 1 . 1 33 33 LEU C C 13 173.390 0.5 . 1 . . . . . 33 LEU C . 50201 1 390 . 1 . 1 33 33 LEU CA C 13 56.900 0.5 . 1 . . . . . 33 LEU CA . 50201 1 391 . 1 . 1 33 33 LEU CB C 13 41.910 0.5 . 1 . . . . . 33 LEU CB . 50201 1 392 . 1 . 1 33 33 LEU CG C 13 27.030 0.5 . 1 . . . . . 33 LEU CG . 50201 1 393 . 1 . 1 33 33 LEU CD1 C 13 23.530 0.5 . 1 . . . . . 33 LEU CD1 . 50201 1 394 . 1 . 1 33 33 LEU CD2 C 13 25.030 0.5 . 1 . . . . . 33 LEU CD2 . 50201 1 395 . 1 . 1 33 33 LEU N N 15 122.499 0.5 . 1 . . . . . 33 LEU N . 50201 1 396 . 1 . 1 34 34 LYS H H 1 8.344 0.05 . 1 . . . . . 34 LYS HN . 50201 1 397 . 1 . 1 34 34 LYS HA H 1 4.241 0.05 . 1 . . . . . 34 LYS HA . 50201 1 398 . 1 . 1 34 34 LYS HB2 H 1 1.834 0.05 . 2 . . . . . 34 LYS HB1 . 50201 1 399 . 1 . 1 34 34 LYS HB3 H 1 1.834 0.05 . 2 . . . . . 34 LYS HB2 . 50201 1 400 . 1 . 1 34 34 LYS HG2 H 1 1.441 0.05 . 2 . . . . . 34 LYS HG1 . 50201 1 401 . 1 . 1 34 34 LYS HG3 H 1 1.520 0.05 . 2 . . . . . 34 LYS HG2 . 50201 1 402 . 1 . 1 34 34 LYS HD2 H 1 1.662 0.05 . 2 . . . . . 34 LYS HD1 . 50201 1 403 . 1 . 1 34 34 LYS HD3 H 1 1.662 0.05 . 2 . . . . . 34 LYS HD2 . 50201 1 404 . 1 . 1 34 34 LYS HE2 H 1 2.971 0.05 . 2 . . . . . 34 LYS HE1 . 50201 1 405 . 1 . 1 34 34 LYS HE3 H 1 2.971 0.05 . 2 . . . . . 34 LYS HE2 . 50201 1 406 . 1 . 1 34 34 LYS C C 13 174.170 0.5 . 1 . . . . . 34 LYS C . 50201 1 407 . 1 . 1 34 34 LYS CA C 13 56.910 0.5 . 1 . . . . . 34 LYS CA . 50201 1 408 . 1 . 1 34 34 LYS CB C 13 32.530 0.5 . 1 . . . . . 34 LYS CB . 50201 1 409 . 1 . 1 34 34 LYS CG C 13 24.980 0.5 . 1 . . . . . 34 LYS CG . 50201 1 410 . 1 . 1 34 34 LYS CD C 13 29.040 0.5 . 1 . . . . . 34 LYS CD . 50201 1 411 . 1 . 1 34 34 LYS CE C 13 42.050 0.5 . 1 . . . . . 34 LYS CE . 50201 1 412 . 1 . 1 34 34 LYS N N 15 121.966 0.5 . 1 . . . . . 34 LYS N . 50201 1 413 . 1 . 1 35 35 GLN H H 1 8.385 0.05 . 1 . . . . . 35 GLN HN . 50201 1 414 . 1 . 1 35 35 GLN HA H 1 4.241 0.05 . 1 . . . . . 35 GLN HA . 50201 1 415 . 1 . 1 35 35 GLN HB2 H 1 2.028 0.05 . 2 . . . . . 35 GLN HB1 . 50201 1 416 . 1 . 1 35 35 GLN HB3 H 1 2.028 0.05 . 2 . . . . . 35 GLN HB2 . 50201 1 417 . 1 . 1 35 35 GLN HG2 H 1 2.353 0.05 . 2 . . . . . 35 GLN HG1 . 50201 1 418 . 1 . 1 35 35 GLN HG3 H 1 2.353 0.05 . 2 . . . . . 35 GLN HG2 . 50201 1 419 . 1 . 1 35 35 GLN HE21 H 1 6.977 0.05 . 2 . . . . . 35 GLN HE21 . 50201 1 420 . 1 . 1 35 35 GLN HE22 H 1 7.629 0.05 . 2 . . . . . 35 GLN HE22 . 50201 1 421 . 1 . 1 35 35 GLN C C 13 174.750 0.5 . 1 . . . . . 35 GLN C . 50201 1 422 . 1 . 1 35 35 GLN CA C 13 56.280 0.5 . 1 . . . . . 35 GLN CA . 50201 1 423 . 1 . 1 35 35 GLN CB C 13 29.400 0.5 . 1 . . . . . 35 GLN CB . 50201 1 424 . 1 . 1 35 35 GLN CG C 13 33.950 0.5 . 1 . . . . . 35 GLN CG . 50201 1 425 . 1 . 1 35 35 GLN N N 15 121.707 0.5 . 1 . . . . . 35 GLN N . 50201 1 426 . 1 . 1 36 36 ILE H H 1 8.201 0.05 . 1 . . . . . 36 ILE HN . 50201 1 427 . 1 . 1 36 36 ILE HA H 1 4.074 0.05 . 1 . . . . . 36 ILE HA . 50201 1 428 . 1 . 1 36 36 ILE HB H 1 1.860 0.05 . 1 . . . . . 36 ILE HB . 50201 1 429 . 1 . 1 36 36 ILE HG12 H 1 1.452 0.05 . 1 . . . . . 36 ILE HG11 . 50201 1 430 . 1 . 1 36 36 ILE HG13 H 1 1.161 0.05 . 1 . . . . . 36 ILE HG12 . 50201 1 431 . 1 . 1 36 36 ILE HG21 H 1 0.920 0.05 . 1 . . . . . 36 ILE HG21 . 50201 1 432 . 1 . 1 36 36 ILE HG22 H 1 0.920 0.05 . 1 . . . . . 36 ILE HG21 . 50201 1 433 . 1 . 1 36 36 ILE HG23 H 1 0.920 0.05 . 1 . . . . . 36 ILE HG21 . 50201 1 434 . 1 . 1 36 36 ILE HD11 H 1 0.854 0.05 . 1 . . . . . 36 ILE HD11 . 50201 1 435 . 1 . 1 36 36 ILE HD12 H 1 0.854 0.05 . 1 . . . . . 36 ILE HD11 . 50201 1 436 . 1 . 1 36 36 ILE HD13 H 1 0.854 0.05 . 1 . . . . . 36 ILE HD11 . 50201 1 437 . 1 . 1 36 36 ILE C C 13 174.750 0.5 . 1 . . . . . 36 ILE C . 50201 1 438 . 1 . 1 36 36 ILE CA C 13 61.300 0.5 . 1 . . . . . 36 ILE CA . 50201 1 439 . 1 . 1 36 36 ILE CB C 13 38.780 0.5 . 1 . . . . . 36 ILE CB . 50201 1 440 . 1 . 1 36 36 ILE CG1 C 13 27.530 0.5 . 1 . . . . . 36 ILE CG1 . 50201 1 441 . 1 . 1 36 36 ILE CG2 C 13 17.540 0.5 . 1 . . . . . 36 ILE CG2 . 50201 1 442 . 1 . 1 36 36 ILE CD1 C 13 13.040 0.5 . 1 . . . . . 36 ILE CD1 . 50201 1 443 . 1 . 1 36 36 ILE N N 15 122.071 0.5 . 1 . . . . . 36 ILE N . 50201 1 444 . 1 . 1 37 37 GLU H H 1 8.373 0.05 . 1 . . . . . 37 GLU HN . 50201 1 445 . 1 . 1 37 37 GLU HA H 1 4.307 0.05 . 1 . . . . . 37 GLU HA . 50201 1 446 . 1 . 1 37 37 GLU HB2 H 1 2.027 0.05 . 2 . . . . . 37 GLU HB1 . 50201 1 447 . 1 . 1 37 37 GLU HB3 H 1 1.962 0.05 . 2 . . . . . 37 GLU HB2 . 50201 1 448 . 1 . 1 37 37 GLU HG2 H 1 2.288 0.05 . 2 . . . . . 37 GLU HG1 . 50201 1 449 . 1 . 1 37 37 GLU HG3 H 1 2.223 0.05 . 2 . . . . . 37 GLU HG2 . 50201 1 450 . 1 . 1 37 37 GLU C C 13 174.560 0.5 . 1 . . . . . 37 GLU C . 50201 1 451 . 1 . 1 37 37 GLU CA C 13 56.280 0.5 . 1 . . . . . 37 GLU CA . 50201 1 452 . 1 . 1 37 37 GLU CB C 13 30.030 0.5 . 1 . . . . . 37 GLU CB . 50201 1 453 . 1 . 1 37 37 GLU CG C 13 36.030 0.5 . 1 . . . . . 37 GLU CG . 50201 1 454 . 1 . 1 37 37 GLU N N 15 125.041 0.5 . 1 . . . . . 37 GLU N . 50201 1 455 . 1 . 1 38 38 ILE H H 1 8.324 0.05 . 1 . . . . . 38 ILE HN . 50201 1 456 . 1 . 1 38 38 ILE HA H 1 4.047 0.05 . 1 . . . . . 38 ILE HA . 50201 1 457 . 1 . 1 38 38 ILE HB H 1 1.832 0.05 . 1 . . . . . 38 ILE HB . 50201 1 458 . 1 . 1 38 38 ILE HG12 H 1 1.454 0.05 . 1 . . . . . 38 ILE HG11 . 50201 1 459 . 1 . 1 38 38 ILE HG13 H 1 1.168 0.05 . 1 . . . . . 38 ILE HG12 . 50201 1 460 . 1 . 1 38 38 ILE HG21 H 1 0.920 0.05 . 1 . . . . . 38 ILE HG21 . 50201 1 461 . 1 . 1 38 38 ILE HG22 H 1 0.920 0.05 . 1 . . . . . 38 ILE HG21 . 50201 1 462 . 1 . 1 38 38 ILE HG23 H 1 0.920 0.05 . 1 . . . . . 38 ILE HG21 . 50201 1 463 . 1 . 1 38 38 ILE HD11 H 1 0.855 0.05 . 1 . . . . . 38 ILE HD11 . 50201 1 464 . 1 . 1 38 38 ILE HD12 H 1 0.855 0.05 . 1 . . . . . 38 ILE HD11 . 50201 1 465 . 1 . 1 38 38 ILE HD13 H 1 0.855 0.05 . 1 . . . . . 38 ILE HD11 . 50201 1 466 . 1 . 1 38 38 ILE C C 13 174.560 0.5 . 1 . . . . . 38 ILE C . 50201 1 467 . 1 . 1 38 38 ILE CA C 13 61.290 0.5 . 1 . . . . . 38 ILE CA . 50201 1 468 . 1 . 1 38 38 ILE CB C 13 38.160 0.5 . 1 . . . . . 38 ILE CB . 50201 1 469 . 1 . 1 38 38 ILE CG1 C 13 27.510 0.5 . 1 . . . . . 38 ILE CG1 . 50201 1 470 . 1 . 1 38 38 ILE CG2 C 13 17.520 0.5 . 1 . . . . . 38 ILE CG2 . 50201 1 471 . 1 . 1 38 38 ILE CD1 C 13 13.020 0.5 . 1 . . . . . 38 ILE CD1 . 50201 1 472 . 1 . 1 38 38 ILE N N 15 123.561 0.5 . 1 . . . . . 38 ILE N . 50201 1 473 . 1 . 1 39 39 LYS H H 1 8.377 0.05 . 1 . . . . . 39 LYS HN . 50201 1 474 . 1 . 1 39 39 LYS HA H 1 4.242 0.05 . 1 . . . . . 39 LYS HA . 50201 1 475 . 1 . 1 39 39 LYS HB2 H 1 1.767 0.05 . 2 . . . . . 39 LYS HB1 . 50201 1 476 . 1 . 1 39 39 LYS HB3 H 1 1.767 0.05 . 2 . . . . . 39 LYS HB2 . 50201 1 477 . 1 . 1 39 39 LYS HG2 H 1 1.375 0.05 . 2 . . . . . 39 LYS HG1 . 50201 1 478 . 1 . 1 39 39 LYS HG3 H 1 1.375 0.05 . 2 . . . . . 39 LYS HG2 . 50201 1 479 . 1 . 1 39 39 LYS HD2 H 1 1.701 0.05 . 2 . . . . . 39 LYS HD1 . 50201 1 480 . 1 . 1 39 39 LYS HD3 H 1 1.701 0.05 . 2 . . . . . 39 LYS HD2 . 50201 1 481 . 1 . 1 39 39 LYS HE2 H 1 2.969 0.05 . 2 . . . . . 39 LYS HE1 . 50201 1 482 . 1 . 1 39 39 LYS HE3 H 1 2.969 0.05 . 2 . . . . . 39 LYS HE2 . 50201 1 483 . 1 . 1 39 39 LYS C C 13 174.750 0.5 . 1 . . . . . 39 LYS C . 50201 1 484 . 1 . 1 39 39 LYS CA C 13 56.280 0.5 . 1 . . . . . 39 LYS CA . 50201 1 485 . 1 . 1 39 39 LYS CB C 13 32.540 0.5 . 1 . . . . . 39 LYS CB . 50201 1 486 . 1 . 1 39 39 LYS CG C 13 25.030 0.5 . 1 . . . . . 39 LYS CG . 50201 1 487 . 1 . 1 39 39 LYS CD C 13 29.030 0.5 . 1 . . . . . 39 LYS CD . 50201 1 488 . 1 . 1 39 39 LYS CE C 13 42.040 0.5 . 1 . . . . . 39 LYS CE . 50201 1 489 . 1 . 1 39 39 LYS N N 15 125.550 0.5 . 1 . . . . . 39 LYS N . 50201 1 490 . 1 . 1 40 40 LYS H H 1 8.235 0.05 . 1 . . . . . 40 LYS HN . 50201 1 491 . 1 . 1 40 40 LYS HA H 1 4.241 0.05 . 1 . . . . . 40 LYS HA . 50201 1 492 . 1 . 1 40 40 LYS HB2 H 1 1.703 0.05 . 2 . . . . . 40 LYS HB1 . 50201 1 493 . 1 . 1 40 40 LYS HB3 H 1 1.638 0.05 . 2 . . . . . 40 LYS HB2 . 50201 1 494 . 1 . 1 40 40 LYS HG2 H 1 1.376 0.05 . 2 . . . . . 40 LYS HG1 . 50201 1 495 . 1 . 1 40 40 LYS HG3 H 1 1.376 0.05 . 2 . . . . . 40 LYS HG2 . 50201 1 496 . 1 . 1 40 40 LYS HD2 H 1 1.637 0.05 . 2 . . . . . 40 LYS HD1 . 50201 1 497 . 1 . 1 40 40 LYS HD3 H 1 1.637 0.05 . 2 . . . . . 40 LYS HD2 . 50201 1 498 . 1 . 1 40 40 LYS HE2 H 1 3.003 0.05 . 2 . . . . . 40 LYS HE1 . 50201 1 499 . 1 . 1 40 40 LYS HE3 H 1 3.003 0.05 . 2 . . . . . 40 LYS HE2 . 50201 1 500 . 1 . 1 40 40 LYS C C 13 174.750 0.5 . 1 . . . . . 40 LYS C . 50201 1 501 . 1 . 1 40 40 LYS CA C 13 56.280 0.5 . 1 . . . . . 40 LYS CA . 50201 1 502 . 1 . 1 40 40 LYS CB C 13 33.160 0.5 . 1 . . . . . 40 LYS CB . 50201 1 503 . 1 . 1 40 40 LYS CG C 13 25.030 0.5 . 1 . . . . . 40 LYS CG . 50201 1 504 . 1 . 1 40 40 LYS CD C 13 29.020 0.5 . 1 . . . . . 40 LYS CD . 50201 1 505 . 1 . 1 40 40 LYS CE C 13 42.040 0.5 . 1 . . . . . 40 LYS CE . 50201 1 506 . 1 . 1 40 40 LYS N N 15 122.364 0.5 . 1 . . . . . 40 LYS N . 50201 1 507 . 1 . 1 41 41 PHE H H 1 8.269 0.05 . 1 . . . . . 41 PHE HN . 50201 1 508 . 1 . 1 41 41 PHE HA H 1 4.534 0.05 . 1 . . . . . 41 PHE HA . 50201 1 509 . 1 . 1 41 41 PHE HB2 H 1 2.967 0.05 . 2 . . . . . 41 PHE HB1 . 50201 1 510 . 1 . 1 41 41 PHE HB3 H 1 2.967 0.05 . 2 . . . . . 41 PHE HB2 . 50201 1 511 . 1 . 1 41 41 PHE C C 13 175.540 0.5 . 1 . . . . . 41 PHE C . 50201 1 512 . 1 . 1 41 41 PHE CA C 13 57.530 0.5 . 1 . . . . . 41 PHE CA . 50201 1 513 . 1 . 1 41 41 PHE CB C 13 39.410 0.5 . 1 . . . . . 41 PHE CB . 50201 1 514 . 1 . 1 41 41 PHE N N 15 121.430 0.5 . 1 . . . . . 41 PHE N . 50201 1 515 . 1 . 1 42 42 LYS H H 1 8.224 0.05 . 1 . . . . . 42 LYS HN . 50201 1 516 . 1 . 1 42 42 LYS HA H 1 4.177 0.05 . 1 . . . . . 42 LYS HA . 50201 1 517 . 1 . 1 42 42 LYS HB2 H 1 1.571 0.05 . 2 . . . . . 42 LYS HB1 . 50201 1 518 . 1 . 1 42 42 LYS HB3 H 1 1.636 0.05 . 2 . . . . . 42 LYS HB2 . 50201 1 519 . 1 . 1 42 42 LYS HG2 H 1 1.156 0.05 . 2 . . . . . 42 LYS HG1 . 50201 1 520 . 1 . 1 42 42 LYS HG3 H 1 1.245 0.05 . 2 . . . . . 42 LYS HG2 . 50201 1 521 . 1 . 1 42 42 LYS HD2 H 1 1.663 0.05 . 2 . . . . . 42 LYS HD1 . 50201 1 522 . 1 . 1 42 42 LYS HD3 H 1 1.663 0.05 . 2 . . . . . 42 LYS HD2 . 50201 1 523 . 1 . 1 42 42 LYS HE2 H 1 2.967 0.05 . 2 . . . . . 42 LYS HE1 . 50201 1 524 . 1 . 1 42 42 LYS HE3 H 1 2.967 0.05 . 2 . . . . . 42 LYS HE2 . 50201 1 525 . 1 . 1 42 42 LYS C C 13 175.340 0.5 . 1 . . . . . 42 LYS C . 50201 1 526 . 1 . 1 42 42 LYS CA C 13 56.280 0.5 . 1 . . . . . 42 LYS CA . 50201 1 527 . 1 . 1 42 42 LYS CB C 13 33.170 0.5 . 1 . . . . . 42 LYS CB . 50201 1 528 . 1 . 1 42 42 LYS CG C 13 25.020 0.5 . 1 . . . . . 42 LYS CG . 50201 1 529 . 1 . 1 42 42 LYS CD C 13 29.040 0.5 . 1 . . . . . 42 LYS CD . 50201 1 530 . 1 . 1 42 42 LYS CE C 13 42.040 0.5 . 1 . . . . . 42 LYS CE . 50201 1 531 . 1 . 1 42 42 LYS N N 15 123.256 0.5 . 1 . . . . . 42 LYS N . 50201 1 532 . 1 . 1 43 43 TYR H H 1 8.216 0.05 . 1 . . . . . 43 TYR HN . 50201 1 533 . 1 . 1 43 43 TYR HA H 1 4.505 0.05 . 1 . . . . . 43 TYR HA . 50201 1 534 . 1 . 1 43 43 TYR HB2 H 1 3.110 0.05 . 2 . . . . . 43 TYR HB1 . 50201 1 535 . 1 . 1 43 43 TYR HB3 H 1 2.938 0.05 . 2 . . . . . 43 TYR HB2 . 50201 1 536 . 1 . 1 43 43 TYR HD1 H 1 7.172 0.05 . 3 . . . . . 43 TYR HD1 . 50201 1 537 . 1 . 1 43 43 TYR HD2 H 1 7.172 0.05 . 3 . . . . . 43 TYR HD2 . 50201 1 538 . 1 . 1 43 43 TYR HE1 H 1 7.107 0.05 . 3 . . . . . 43 TYR HE1 . 50201 1 539 . 1 . 1 43 43 TYR HE2 H 1 7.107 0.05 . 3 . . . . . 43 TYR HE2 . 50201 1 540 . 1 . 1 43 43 TYR C C 13 174.750 0.5 . 1 . . . . . 43 TYR C . 50201 1 541 . 1 . 1 43 43 TYR CA C 13 58.160 0.5 . 1 . . . . . 43 TYR CA . 50201 1 542 . 1 . 1 43 43 TYR CB C 13 38.780 0.5 . 1 . . . . . 43 TYR CB . 50201 1 543 . 1 . 1 43 43 TYR N N 15 121.075 0.5 . 1 . . . . . 43 TYR N . 50201 1 544 . 1 . 1 44 44 GLY H H 1 8.394 0.05 . 1 . . . . . 44 GLY HN . 50201 1 545 . 1 . 1 44 44 GLY HA2 H 1 3.916 0.05 . 2 . . . . . 44 GLY HA1 . 50201 1 546 . 1 . 1 44 44 GLY HA3 H 1 3.916 0.05 . 2 . . . . . 44 GLY HA2 . 50201 1 547 . 1 . 1 44 44 GLY C C 13 177.100 0.5 . 1 . . . . . 44 GLY C . 50201 1 548 . 1 . 1 44 44 GLY CA C 13 45.040 0.5 . 1 . . . . . 44 GLY CA . 50201 1 549 . 1 . 1 44 44 GLY N N 15 110.536 0.5 . 1 . . . . . 44 GLY N . 50201 1 550 . 1 . 1 45 45 ILE H H 1 8.036 0.05 . 1 . . . . . 45 ILE HN . 50201 1 551 . 1 . 1 45 45 ILE HA H 1 4.112 0.05 . 1 . . . . . 45 ILE HA . 50201 1 552 . 1 . 1 45 45 ILE HB H 1 1.855 0.05 . 1 . . . . . 45 ILE HB . 50201 1 553 . 1 . 1 45 45 ILE HG12 H 1 1.438 0.05 . 1 . . . . . 45 ILE HG11 . 50201 1 554 . 1 . 1 45 45 ILE HG13 H 1 1.181 0.05 . 1 . . . . . 45 ILE HG12 . 50201 1 555 . 1 . 1 45 45 ILE HG21 H 1 0.921 0.05 . 1 . . . . . 45 ILE HG21 . 50201 1 556 . 1 . 1 45 45 ILE HG22 H 1 0.921 0.05 . 1 . . . . . 45 ILE HG21 . 50201 1 557 . 1 . 1 45 45 ILE HG23 H 1 0.921 0.05 . 1 . . . . . 45 ILE HG21 . 50201 1 558 . 1 . 1 45 45 ILE HD11 H 1 0.855 0.05 . 1 . . . . . 45 ILE HD11 . 50201 1 559 . 1 . 1 45 45 ILE HD12 H 1 0.855 0.05 . 1 . . . . . 45 ILE HD11 . 50201 1 560 . 1 . 1 45 45 ILE HD13 H 1 0.855 0.05 . 1 . . . . . 45 ILE HD11 . 50201 1 561 . 1 . 1 45 45 ILE C C 13 174.760 0.5 . 1 . . . . . 45 ILE C . 50201 1 562 . 1 . 1 45 45 ILE CA C 13 61.290 0.5 . 1 . . . . . 45 ILE CA . 50201 1 563 . 1 . 1 45 45 ILE CB C 13 38.780 0.5 . 1 . . . . . 45 ILE CB . 50201 1 564 . 1 . 1 45 45 ILE CG1 C 13 27.520 0.5 . 1 . . . . . 45 ILE CG1 . 50201 1 565 . 1 . 1 45 45 ILE CG2 C 13 17.530 0.5 . 1 . . . . . 45 ILE CG2 . 50201 1 566 . 1 . 1 45 45 ILE CD1 C 13 13.020 0.5 . 1 . . . . . 45 ILE CD1 . 50201 1 567 . 1 . 1 45 45 ILE N N 15 119.982 0.5 . 1 . . . . . 45 ILE N . 50201 1 568 . 1 . 1 46 46 GLU H H 1 8.587 0.05 . 1 . . . . . 46 GLU HN . 50201 1 569 . 1 . 1 46 46 GLU HA H 1 4.242 0.05 . 1 . . . . . 46 GLU HA . 50201 1 570 . 1 . 1 46 46 GLU HB2 H 1 1.962 0.05 . 2 . . . . . 46 GLU HB1 . 50201 1 571 . 1 . 1 46 46 GLU HB3 H 1 1.898 0.05 . 2 . . . . . 46 GLU HB2 . 50201 1 572 . 1 . 1 46 46 GLU HG2 H 1 2.223 0.05 . 2 . . . . . 46 GLU HG1 . 50201 1 573 . 1 . 1 46 46 GLU HG3 H 1 2.223 0.05 . 2 . . . . . 46 GLU HG2 . 50201 1 574 . 1 . 1 46 46 GLU C C 13 174.750 0.5 . 1 . . . . . 46 GLU C . 50201 1 575 . 1 . 1 46 46 GLU CA C 13 56.260 0.5 . 1 . . . . . 46 GLU CA . 50201 1 576 . 1 . 1 46 46 GLU CB C 13 30.030 0.5 . 1 . . . . . 46 GLU CB . 50201 1 577 . 1 . 1 46 46 GLU CG C 13 36.050 0.5 . 1 . . . . . 46 GLU CG . 50201 1 578 . 1 . 1 46 46 GLU N N 15 124.881 0.5 . 1 . . . . . 46 GLU N . 50201 1 579 . 1 . 1 47 47 GLU H H 1 8.479 0.05 . 1 . . . . . 47 GLU HN . 50201 1 580 . 1 . 1 47 47 GLU HA H 1 4.245 0.05 . 1 . . . . . 47 GLU HA . 50201 1 581 . 1 . 1 47 47 GLU HB2 H 1 1.962 0.05 . 2 . . . . . 47 GLU HB1 . 50201 1 582 . 1 . 1 47 47 GLU HB3 H 1 1.962 0.05 . 2 . . . . . 47 GLU HB2 . 50201 1 583 . 1 . 1 47 47 GLU HG2 H 1 2.289 0.05 . 2 . . . . . 47 GLU HG1 . 50201 1 584 . 1 . 1 47 47 GLU HG3 H 1 2.289 0.05 . 2 . . . . . 47 GLU HG2 . 50201 1 585 . 1 . 1 47 47 GLU C C 13 174.560 0.5 . 1 . . . . . 47 GLU C . 50201 1 586 . 1 . 1 47 47 GLU CA C 13 56.280 0.5 . 1 . . . . . 47 GLU CA . 50201 1 587 . 1 . 1 47 47 GLU CB C 13 30.030 0.5 . 1 . . . . . 47 GLU CB . 50201 1 588 . 1 . 1 47 47 GLU CG C 13 36.050 0.5 . 1 . . . . . 47 GLU CG . 50201 1 589 . 1 . 1 47 47 GLU N N 15 123.049 0.5 . 1 . . . . . 47 GLU N . 50201 1 590 . 1 . 1 48 48 HIS H H 1 8.666 0.05 . 1 . . . . . 48 HIS HN . 50201 1 591 . 1 . 1 48 48 HIS HA H 1 4.699 0.05 . 1 . . . . . 48 HIS HA . 50201 1 592 . 1 . 1 48 48 HIS HB2 H 1 3.268 0.05 . 2 . . . . . 48 HIS HB1 . 50201 1 593 . 1 . 1 48 48 HIS HB3 H 1 3.134 0.05 . 2 . . . . . 48 HIS HB2 . 50201 1 594 . 1 . 1 48 48 HIS HD2 H 1 8.120 0.05 . 1 . . . . . 48 HIS HD2 . 50201 1 595 . 1 . 1 48 48 HIS HE1 H 1 7.243 0.05 . 1 . . . . . 48 HIS HE1 . 50201 1 596 . 1 . 1 48 48 HIS C C 13 175.930 0.5 . 1 . . . . . 48 HIS C . 50201 1 597 . 1 . 1 48 48 HIS CA C 13 55.650 0.5 . 1 . . . . . 48 HIS CA . 50201 1 598 . 1 . 1 48 48 HIS CB C 13 28.780 0.5 . 1 . . . . . 48 HIS CB . 50201 1 599 . 1 . 1 48 48 HIS N N 15 119.644 0.5 . 1 . . . . . 48 HIS N . 50201 1 600 . 1 . 1 49 49 GLY H H 1 8.540 0.05 . 1 . . . . . 49 GLY HN . 50201 1 601 . 1 . 1 49 49 GLY HA2 H 1 3.916 0.05 . 2 . . . . . 49 GLY HA1 . 50201 1 602 . 1 . 1 49 49 GLY HA3 H 1 3.916 0.05 . 2 . . . . . 49 GLY HA2 . 50201 1 603 . 1 . 1 49 49 GLY C C 13 177.100 0.5 . 1 . . . . . 49 GLY C . 50201 1 604 . 1 . 1 49 49 GLY CA C 13 45.040 0.5 . 1 . . . . . 49 GLY CA . 50201 1 605 . 1 . 1 49 49 GLY N N 15 109.853 0.5 . 1 . . . . . 49 GLY N . 50201 1 606 . 1 . 1 50 50 LYS H H 1 8.239 0.05 . 1 . . . . . 50 LYS HN . 50201 1 607 . 1 . 1 50 50 LYS HA H 1 4.372 0.05 . 1 . . . . . 50 LYS HA . 50201 1 608 . 1 . 1 50 50 LYS HB2 H 1 1.765 0.05 . 2 . . . . . 50 LYS HB1 . 50201 1 609 . 1 . 1 50 50 LYS HB3 H 1 1.765 0.05 . 2 . . . . . 50 LYS HB2 . 50201 1 610 . 1 . 1 50 50 LYS HG2 H 1 1.441 0.05 . 2 . . . . . 50 LYS HG1 . 50201 1 611 . 1 . 1 50 50 LYS HG3 H 1 1.441 0.05 . 2 . . . . . 50 LYS HG2 . 50201 1 612 . 1 . 1 50 50 LYS HD2 H 1 1.660 0.05 . 2 . . . . . 50 LYS HD1 . 50201 1 613 . 1 . 1 50 50 LYS HD3 H 1 1.660 0.05 . 2 . . . . . 50 LYS HD2 . 50201 1 614 . 1 . 1 50 50 LYS HE2 H 1 2.969 0.05 . 2 . . . . . 50 LYS HE1 . 50201 1 615 . 1 . 1 50 50 LYS HE3 H 1 2.969 0.05 . 2 . . . . . 50 LYS HE2 . 50201 1 616 . 1 . 1 50 50 LYS C C 13 175.360 0.5 . 1 . . . . . 50 LYS C . 50201 1 617 . 1 . 1 50 50 LYS CA C 13 56.280 0.5 . 1 . . . . . 50 LYS CA . 50201 1 618 . 1 . 1 50 50 LYS CB C 13 33.150 0.5 . 1 . . . . . 50 LYS CB . 50201 1 619 . 1 . 1 50 50 LYS CG C 13 25.020 0.5 . 1 . . . . . 50 LYS CG . 50201 1 620 . 1 . 1 50 50 LYS CD C 13 29.040 0.5 . 1 . . . . . 50 LYS CD . 50201 1 621 . 1 . 1 50 50 LYS CE C 13 42.040 0.5 . 1 . . . . . 50 LYS CE . 50201 1 622 . 1 . 1 50 50 LYS N N 15 121.013 0.5 . 1 . . . . . 50 LYS N . 50201 1 623 . 1 . 1 51 51 VAL H H 1 8.254 0.05 . 1 . . . . . 51 VAL HN . 50201 1 624 . 1 . 1 51 51 VAL HA H 1 4.046 0.05 . 1 . . . . . 51 VAL HA . 50201 1 625 . 1 . 1 51 51 VAL HB H 1 2.028 0.05 . 1 . . . . . 51 VAL HB . 50201 1 626 . 1 . 1 51 51 VAL HG11 H 1 0.921 0.05 . 2 . . . . . 51 VAL HG11 . 50201 1 627 . 1 . 1 51 51 VAL HG12 H 1 0.921 0.05 . 2 . . . . . 51 VAL HG11 . 50201 1 628 . 1 . 1 51 51 VAL HG13 H 1 0.921 0.05 . 2 . . . . . 51 VAL HG11 . 50201 1 629 . 1 . 1 51 51 VAL HG21 H 1 0.921 0.05 . 2 . . . . . 51 VAL HG21 . 50201 1 630 . 1 . 1 51 51 VAL HG22 H 1 0.921 0.05 . 2 . . . . . 51 VAL HG21 . 50201 1 631 . 1 . 1 51 51 VAL HG23 H 1 0.921 0.05 . 2 . . . . . 51 VAL HG21 . 50201 1 632 . 1 . 1 51 51 VAL C C 13 174.950 0.5 . 1 . . . . . 51 VAL C . 50201 1 633 . 1 . 1 51 51 VAL CA C 13 62.540 0.5 . 1 . . . . . 51 VAL CA . 50201 1 634 . 1 . 1 51 51 VAL CB C 13 32.530 0.5 . 1 . . . . . 51 VAL CB . 50201 1 635 . 1 . 1 51 51 VAL CG1 C 13 21.020 0.5 . 1 . . . . . 51 VAL CG1 . 50201 1 636 . 1 . 1 51 51 VAL CG2 C 13 21.020 0.5 . 1 . . . . . 51 VAL CG2 . 50201 1 637 . 1 . 1 51 51 VAL N N 15 122.022 0.5 . 1 . . . . . 51 VAL N . 50201 1 638 . 1 . 1 52 52 LYS H H 1 8.532 0.05 . 1 . . . . . 52 LYS HN . 50201 1 639 . 1 . 1 52 52 LYS HA H 1 4.307 0.05 . 1 . . . . . 52 LYS HA . 50201 1 640 . 1 . 1 52 52 LYS HB2 H 1 1.766 0.05 . 2 . . . . . 52 LYS HB1 . 50201 1 641 . 1 . 1 52 52 LYS HB3 H 1 1.766 0.05 . 2 . . . . . 52 LYS HB2 . 50201 1 642 . 1 . 1 52 52 LYS HG2 H 1 1.411 0.05 . 2 . . . . . 52 LYS HG1 . 50201 1 643 . 1 . 1 52 52 LYS HG3 H 1 1.411 0.05 . 2 . . . . . 52 LYS HG2 . 50201 1 644 . 1 . 1 52 52 LYS HD2 H 1 1.658 0.05 . 2 . . . . . 52 LYS HD1 . 50201 1 645 . 1 . 1 52 52 LYS HD3 H 1 1.658 0.05 . 2 . . . . . 52 LYS HD2 . 50201 1 646 . 1 . 1 52 52 LYS HE2 H 1 2.967 0.05 . 2 . . . . . 52 LYS HE1 . 50201 1 647 . 1 . 1 52 52 LYS HE3 H 1 2.967 0.05 . 2 . . . . . 52 LYS HE2 . 50201 1 648 . 1 . 1 52 52 LYS C C 13 174.750 0.5 . 1 . . . . . 52 LYS C . 50201 1 649 . 1 . 1 52 52 LYS CA C 13 56.280 0.5 . 1 . . . . . 52 LYS CA . 50201 1 650 . 1 . 1 52 52 LYS CB C 13 33.160 0.5 . 1 . . . . . 52 LYS CB . 50201 1 651 . 1 . 1 52 52 LYS CG C 13 25.020 0.5 . 1 . . . . . 52 LYS CG . 50201 1 652 . 1 . 1 52 52 LYS CD C 13 29.040 0.5 . 1 . . . . . 52 LYS CD . 50201 1 653 . 1 . 1 52 52 LYS CE C 13 42.040 0.5 . 1 . . . . . 52 LYS CE . 50201 1 654 . 1 . 1 52 52 LYS N N 15 126.100 0.5 . 1 . . . . . 52 LYS N . 50201 1 655 . 1 . 1 53 53 MET H H 1 8.526 0.05 . 1 . . . . . 53 MET HN . 50201 1 656 . 1 . 1 53 53 MET HA H 1 4.502 0.05 . 1 . . . . . 53 MET HA . 50201 1 657 . 1 . 1 53 53 MET HB2 H 1 2.028 0.05 . 2 . . . . . 53 MET HB1 . 50201 1 658 . 1 . 1 53 53 MET HB3 H 1 2.028 0.05 . 2 . . . . . 53 MET HB2 . 50201 1 659 . 1 . 1 53 53 MET HG2 H 1 2.548 0.05 . 2 . . . . . 53 MET HG1 . 50201 1 660 . 1 . 1 53 53 MET HG3 H 1 2.548 0.05 . 2 . . . . . 53 MET HG2 . 50201 1 661 . 1 . 1 53 53 MET C C 13 174.950 0.5 . 1 . . . . . 53 MET C . 50201 1 662 . 1 . 1 53 53 MET CA C 13 55.040 0.5 . 1 . . . . . 53 MET CA . 50201 1 663 . 1 . 1 53 53 MET CB C 13 33.160 0.5 . 1 . . . . . 53 MET CB . 50201 1 664 . 1 . 1 53 53 MET CG C 13 32.020 0.5 . 1 . . . . . 53 MET CG . 50201 1 665 . 1 . 1 53 53 MET N N 15 122.668 0.5 . 1 . . . . . 53 MET N . 50201 1 666 . 1 . 1 54 54 ARG H H 1 8.557 0.05 . 1 . . . . . 54 ARG HN . 50201 1 667 . 1 . 1 54 54 ARG HA H 1 4.372 0.05 . 1 . . . . . 54 ARG HA . 50201 1 668 . 1 . 1 54 54 ARG HB2 H 1 1.833 0.05 . 2 . . . . . 54 ARG HB1 . 50201 1 669 . 1 . 1 54 54 ARG HB3 H 1 1.766 0.05 . 2 . . . . . 54 ARG HB2 . 50201 1 670 . 1 . 1 54 54 ARG HG2 H 1 1.635 0.05 . 2 . . . . . 54 ARG HG1 . 50201 1 671 . 1 . 1 54 54 ARG HG3 H 1 1.635 0.05 . 2 . . . . . 54 ARG HG2 . 50201 1 672 . 1 . 1 54 54 ARG HD2 H 1 3.199 0.05 . 2 . . . . . 54 ARG HD1 . 50201 1 673 . 1 . 1 54 54 ARG HD3 H 1 3.199 0.05 . 2 . . . . . 54 ARG HD2 . 50201 1 674 . 1 . 1 54 54 ARG HH21 H 1 7.196 0.05 . 1 . . . . . 54 ARG HH21 . 50201 1 675 . 1 . 1 54 54 ARG HH22 H 1 7.359 0.05 . 1 . . . . . 54 ARG HH22 . 50201 1 676 . 1 . 1 54 54 ARG C C 13 174.360 0.5 . 1 . . . . . 54 ARG C . 50201 1 677 . 1 . 1 54 54 ARG CA C 13 56.290 0.5 . 1 . . . . . 54 ARG CA . 50201 1 678 . 1 . 1 54 54 ARG CB C 13 30.660 0.5 . 1 . . . . . 54 ARG CB . 50201 1 679 . 1 . 1 54 54 ARG CG C 13 27.030 0.5 . 1 . . . . . 54 ARG CG . 50201 1 680 . 1 . 1 54 54 ARG CD C 13 43.400 0.5 . 1 . . . . . 54 ARG CD . 50201 1 681 . 1 . 1 54 54 ARG N N 15 123.193 0.5 . 1 . . . . . 54 ARG N . 50201 1 682 . 1 . 1 55 55 GLY H H 1 8.612 0.05 . 1 . . . . . 55 GLY HN . 50201 1 683 . 1 . 1 55 55 GLY HA2 H 1 3.980 0.05 . 2 . . . . . 55 GLY HA1 . 50201 1 684 . 1 . 1 55 55 GLY HA3 H 1 3.980 0.05 . 2 . . . . . 55 GLY HA2 . 50201 1 685 . 1 . 1 55 55 GLY C C 13 176.510 0.5 . 1 . . . . . 55 GLY C . 50201 1 686 . 1 . 1 55 55 GLY CA C 13 45.030 0.5 . 1 . . . . . 55 GLY CA . 50201 1 687 . 1 . 1 55 55 GLY N N 15 110.964 0.5 . 1 . . . . . 55 GLY N . 50201 1 688 . 1 . 1 56 56 GLY H H 1 8.361 0.05 . 1 . . . . . 56 GLY HN . 50201 1 689 . 1 . 1 56 56 GLY HA2 H 1 3.939 0.05 . 2 . . . . . 56 GLY HA1 . 50201 1 690 . 1 . 1 56 56 GLY HA3 H 1 3.939 0.05 . 2 . . . . . 56 GLY HA2 . 50201 1 691 . 1 . 1 56 56 GLY C C 13 177.100 0.5 . 1 . . . . . 56 GLY C . 50201 1 692 . 1 . 1 56 56 GLY CA C 13 45.030 0.5 . 1 . . . . . 56 GLY CA . 50201 1 693 . 1 . 1 56 56 GLY N N 15 108.625 0.5 . 1 . . . . . 56 GLY N . 50201 1 694 . 1 . 1 57 57 LEU H H 1 8.133 0.05 . 1 . . . . . 57 LEU HN . 50201 1 695 . 1 . 1 57 57 LEU HA H 1 4.371 0.05 . 1 . . . . . 57 LEU HA . 50201 1 696 . 1 . 1 57 57 LEU HB2 H 1 1.636 0.05 . 2 . . . . . 57 LEU HB1 . 50201 1 697 . 1 . 1 57 57 LEU HB3 H 1 1.636 0.05 . 2 . . . . . 57 LEU HB2 . 50201 1 698 . 1 . 1 57 57 LEU HG H 1 1.571 0.05 . 1 . . . . . 57 LEU HG . 50201 1 699 . 1 . 1 57 57 LEU HD11 H 1 0.842 0.05 . 2 . . . . . 57 LEU HD11 . 50201 1 700 . 1 . 1 57 57 LEU HD12 H 1 0.842 0.05 . 2 . . . . . 57 LEU HD11 . 50201 1 701 . 1 . 1 57 57 LEU HD13 H 1 0.842 0.05 . 2 . . . . . 57 LEU HD11 . 50201 1 702 . 1 . 1 57 57 LEU HD21 H 1 0.920 0.05 . 2 . . . . . 57 LEU HD21 . 50201 1 703 . 1 . 1 57 57 LEU HD22 H 1 0.920 0.05 . 2 . . . . . 57 LEU HD21 . 50201 1 704 . 1 . 1 57 57 LEU HD23 H 1 0.920 0.05 . 2 . . . . . 57 LEU HD21 . 50201 1 705 . 1 . 1 57 57 LEU C C 13 173.780 0.5 . 1 . . . . . 57 LEU C . 50201 1 706 . 1 . 1 57 57 LEU CA C 13 55.040 0.5 . 1 . . . . . 57 LEU CA . 50201 1 707 . 1 . 1 57 57 LEU CB C 13 42.530 0.5 . 1 . . . . . 57 LEU CB . 50201 1 708 . 1 . 1 57 57 LEU CG C 13 27.040 0.5 . 1 . . . . . 57 LEU CG . 50201 1 709 . 1 . 1 57 57 LEU CD1 C 13 23.530 0.5 . 1 . . . . . 57 LEU CD1 . 50201 1 710 . 1 . 1 57 57 LEU CD2 C 13 25.030 0.5 . 1 . . . . . 57 LEU CD2 . 50201 1 711 . 1 . 1 57 57 LEU N N 15 121.470 0.5 . 1 . . . . . 57 LEU N . 50201 1 712 . 1 . 1 58 58 LEU H H 1 8.303 0.05 . 1 . . . . . 58 LEU HN . 50201 1 713 . 1 . 1 58 58 LEU HA H 1 4.372 0.05 . 1 . . . . . 58 LEU HA . 50201 1 714 . 1 . 1 58 58 LEU HB2 H 1 1.637 0.05 . 2 . . . . . 58 LEU HB1 . 50201 1 715 . 1 . 1 58 58 LEU HB3 H 1 1.637 0.05 . 2 . . . . . 58 LEU HB2 . 50201 1 716 . 1 . 1 58 58 LEU HG H 1 1.571 0.05 . 1 . . . . . 58 LEU HG . 50201 1 717 . 1 . 1 58 58 LEU HD11 H 1 0.842 0.05 . 2 . . . . . 58 LEU HD11 . 50201 1 718 . 1 . 1 58 58 LEU HD12 H 1 0.842 0.05 . 2 . . . . . 58 LEU HD11 . 50201 1 719 . 1 . 1 58 58 LEU HD13 H 1 0.842 0.05 . 2 . . . . . 58 LEU HD11 . 50201 1 720 . 1 . 1 58 58 LEU HD21 H 1 0.917 0.05 . 2 . . . . . 58 LEU HD21 . 50201 1 721 . 1 . 1 58 58 LEU HD22 H 1 0.917 0.05 . 2 . . . . . 58 LEU HD21 . 50201 1 722 . 1 . 1 58 58 LEU HD23 H 1 0.917 0.05 . 2 . . . . . 58 LEU HD21 . 50201 1 723 . 1 . 1 58 58 LEU C C 13 174.170 0.5 . 1 . . . . . 58 LEU C . 50201 1 724 . 1 . 1 58 58 LEU CA C 13 55.030 0.5 . 1 . . . . . 58 LEU CA . 50201 1 725 . 1 . 1 58 58 LEU CB C 13 42.530 0.5 . 1 . . . . . 58 LEU CB . 50201 1 726 . 1 . 1 58 58 LEU CG C 13 27.040 0.5 . 1 . . . . . 58 LEU CG . 50201 1 727 . 1 . 1 58 58 LEU CD1 C 13 23.530 0.5 . 1 . . . . . 58 LEU CD1 . 50201 1 728 . 1 . 1 58 58 LEU CD2 C 13 25.030 0.5 . 1 . . . . . 58 LEU CD2 . 50201 1 729 . 1 . 1 58 58 LEU N N 15 123.089 0.5 . 1 . . . . . 58 LEU N . 50201 1 730 . 1 . 1 59 59 ARG H H 1 8.361 0.05 . 1 . . . . . 59 ARG HN . 50201 1 731 . 1 . 1 59 59 ARG HA H 1 4.372 0.05 . 1 . . . . . 59 ARG HA . 50201 1 732 . 1 . 1 59 59 ARG HB2 H 1 1.733 0.05 . 2 . . . . . 59 ARG HB1 . 50201 1 733 . 1 . 1 59 59 ARG HB3 H 1 1.733 0.05 . 2 . . . . . 59 ARG HB2 . 50201 1 734 . 1 . 1 59 59 ARG HG2 H 1 1.470 0.05 . 2 . . . . . 59 ARG HG1 . 50201 1 735 . 1 . 1 59 59 ARG HG3 H 1 1.350 0.05 . 2 . . . . . 59 ARG HG2 . 50201 1 736 . 1 . 1 59 59 ARG HD2 H 1 3.070 0.05 . 2 . . . . . 59 ARG HD1 . 50201 1 737 . 1 . 1 59 59 ARG HD3 H 1 3.070 0.05 . 2 . . . . . 59 ARG HD2 . 50201 1 738 . 1 . 1 59 59 ARG C C 13 175.140 0.5 . 1 . . . . . 59 ARG C . 50201 1 739 . 1 . 1 59 59 ARG CA C 13 55.660 0.5 . 1 . . . . . 59 ARG CA . 50201 1 740 . 1 . 1 59 59 ARG CB C 13 31.280 0.5 . 1 . . . . . 59 ARG CB . 50201 1 741 . 1 . 1 59 59 ARG CG C 13 27.040 0.5 . 1 . . . . . 59 ARG CG . 50201 1 742 . 1 . 1 59 59 ARG CD C 13 43.460 0.5 . 1 . . . . . 59 ARG CD . 50201 1 743 . 1 . 1 59 59 ARG N N 15 122.866 0.5 . 1 . . . . . 59 ARG N . 50201 1 744 . 1 . 1 60 60 THR H H 1 8.209 0.05 . 1 . . . . . 60 THR HN . 50201 1 745 . 1 . 1 60 60 THR HA H 1 4.374 0.05 . 1 . . . . . 60 THR HA . 50201 1 746 . 1 . 1 60 60 THR HB H 1 4.217 0.05 . 1 . . . . . 60 THR HB . 50201 1 747 . 1 . 1 60 60 THR HG21 H 1 1.181 0.05 . 1 . . . . . 60 THR HG21 . 50201 1 748 . 1 . 1 60 60 THR HG22 H 1 1.181 0.05 . 1 . . . . . 60 THR HG21 . 50201 1 749 . 1 . 1 60 60 THR HG23 H 1 1.181 0.05 . 1 . . . . . 60 THR HG21 . 50201 1 750 . 1 . 1 60 60 THR C C 13 177.880 0.5 . 1 . . . . . 60 THR C . 50201 1 751 . 1 . 1 60 60 THR CA C 13 61.290 0.5 . 1 . . . . . 60 THR CA . 50201 1 752 . 1 . 1 60 60 THR CB C 13 70.040 0.5 . 1 . . . . . 60 THR CB . 50201 1 753 . 1 . 1 60 60 THR CG2 C 13 21.540 0.5 . 1 . . . . . 60 THR CG2 . 50201 1 754 . 1 . 1 60 60 THR N N 15 115.595 0.5 . 1 . . . . . 60 THR N . 50201 1 755 . 1 . 1 61 61 TYR H H 1 7.841 0.05 . 1 . . . . . 61 TYR HN . 50201 1 756 . 1 . 1 61 61 TYR HA H 1 4.351 0.05 . 1 . . . . . 61 TYR HA . 50201 1 757 . 1 . 1 61 61 TYR HB2 H 1 3.069 0.05 . 2 . . . . . 61 TYR HB1 . 50201 1 758 . 1 . 1 61 61 TYR HB3 H 1 2.874 0.05 . 2 . . . . . 61 TYR HB2 . 50201 1 759 . 1 . 1 61 61 TYR HD1 H 1 7.123 0.05 . 3 . . . . . 61 TYR HD1 . 50201 1 760 . 1 . 1 61 61 TYR HD2 H 1 7.123 0.05 . 3 . . . . . 61 TYR HD2 . 50201 1 761 . 1 . 1 61 61 TYR HE1 H 1 7.062 0.05 . 3 . . . . . 61 TYR HE1 . 50201 1 762 . 1 . 1 61 61 TYR HE2 H 1 7.062 0.05 . 3 . . . . . 61 TYR HE2 . 50201 1 763 . 1 . 1 61 61 TYR C C 13 170.850 0.5 . 1 . . . . . 61 TYR C . 50201 1 764 . 1 . 1 61 61 TYR CA C 13 58.790 0.5 . 1 . . . . . 61 TYR CA . 50201 1 765 . 1 . 1 61 61 TYR CB C 13 39.410 0.5 . 1 . . . . . 61 TYR CB . 50201 1 766 . 1 . 1 61 61 TYR N N 15 126.786 0.5 . 1 . . . . . 61 TYR N . 50201 1 stop_ save_