data_52385 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52385 _Entry.Title ; C-terminal EF-hand (EF34) Domain of a-actinin-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-04-02 _Entry.Accession_date 2024-04-02 _Entry.Last_release_date 2024-04-02 _Entry.Original_release_date 2024-04-02 _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 Aritra Bej . . . 0000-0002-5561-1891 52385 2 James Ames . B. . 0000-0003-0934-2595 52385 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52385 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 255 52385 '15N chemical shifts' 64 52385 '1H chemical shifts' 430 52385 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 . . 2024-09-03 . original BMRB . 52385 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52386 'C-terminal EF-hand (EF34) Domain of a-actinin-1 bound to GluN1-C0' 52385 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52385 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39207574 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Chemical shift assignments of the alpha-actinin C-terminal EF-hand domain bound to a cytosolic C0 domain of GluN1 (residues 841-865) from the NMDA receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 . _Citation.Page_last . _Citation.Year 2024 _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 Aritra Bej A. . . . 52385 1 2 Johannes Hell J. W. . . 52385 1 3 James Ames J. B. . . 52385 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52385 _Assembly.ID 1 _Assembly.Name 'ACTN1 EF34' _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 . _Assembly.Molecules_in_chemical_exchange no _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 'ACTN1 EF34' 1 $entity_1 . . yes native no no . . . 52385 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52385 _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 ; MGSSHHHHHHSSGLVPRGSH MDTADQVMASFKILAGDKNY ITMDELRRELPPDQAEYCIA RMAPYTGPDSVPGALDYMSF STALYGESDL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-21 represent non-native affinity tag and cleavage site' _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 52385 1 2 . GLY . 52385 1 3 . SER . 52385 1 4 . SER . 52385 1 5 . HIS . 52385 1 6 . HIS . 52385 1 7 . HIS . 52385 1 8 . HIS . 52385 1 9 . HIS . 52385 1 10 . HIS . 52385 1 11 . SER . 52385 1 12 . SER . 52385 1 13 . GLY . 52385 1 14 . LEU . 52385 1 15 . VAL . 52385 1 16 . PRO . 52385 1 17 . ARG . 52385 1 18 . GLY . 52385 1 19 . SER . 52385 1 20 . HIS . 52385 1 21 . MET . 52385 1 22 824 ASP . 52385 1 23 825 THR . 52385 1 24 826 ALA . 52385 1 25 827 ASP . 52385 1 26 828 GLN . 52385 1 27 829 VAL . 52385 1 28 830 MET . 52385 1 29 831 ALA . 52385 1 30 832 SER . 52385 1 31 833 PHE . 52385 1 32 834 LYS . 52385 1 33 835 ILE . 52385 1 34 836 LEU . 52385 1 35 837 ALA . 52385 1 36 838 GLY . 52385 1 37 839 ASP . 52385 1 38 840 LYS . 52385 1 39 841 ASN . 52385 1 40 842 TYR . 52385 1 41 843 ILE . 52385 1 42 844 THR . 52385 1 43 845 MET . 52385 1 44 846 ASP . 52385 1 45 847 GLU . 52385 1 46 848 LEU . 52385 1 47 849 ARG . 52385 1 48 850 ARG . 52385 1 49 851 GLU . 52385 1 50 852 LEU . 52385 1 51 853 PRO . 52385 1 52 854 PRO . 52385 1 53 855 ASP . 52385 1 54 856 GLN . 52385 1 55 857 ALA . 52385 1 56 858 GLU . 52385 1 57 859 TYR . 52385 1 58 860 CYS . 52385 1 59 861 ILE . 52385 1 60 862 ALA . 52385 1 61 863 ARG . 52385 1 62 864 MET . 52385 1 63 865 ALA . 52385 1 64 866 PRO . 52385 1 65 867 TYR . 52385 1 66 868 THR . 52385 1 67 869 GLY . 52385 1 68 870 PRO . 52385 1 69 871 ASP . 52385 1 70 872 SER . 52385 1 71 873 VAL . 52385 1 72 874 PRO . 52385 1 73 875 GLY . 52385 1 74 876 ALA . 52385 1 75 877 LEU . 52385 1 76 878 ASP . 52385 1 77 879 TYR . 52385 1 78 880 MET . 52385 1 79 881 SER . 52385 1 80 882 PHE . 52385 1 81 883 SER . 52385 1 82 884 THR . 52385 1 83 885 ALA . 52385 1 84 886 LEU . 52385 1 85 887 TYR . 52385 1 86 888 GLY . 52385 1 87 889 GLU . 52385 1 88 890 SER . 52385 1 89 891 ASP . 52385 1 90 892 LEU . 52385 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52385 1 . GLY 2 2 52385 1 . SER 3 3 52385 1 . SER 4 4 52385 1 . HIS 5 5 52385 1 . HIS 6 6 52385 1 . HIS 7 7 52385 1 . HIS 8 8 52385 1 . HIS 9 9 52385 1 . HIS 10 10 52385 1 . SER 11 11 52385 1 . SER 12 12 52385 1 . GLY 13 13 52385 1 . LEU 14 14 52385 1 . VAL 15 15 52385 1 . PRO 16 16 52385 1 . ARG 17 17 52385 1 . GLY 18 18 52385 1 . SER 19 19 52385 1 . HIS 20 20 52385 1 . MET 21 21 52385 1 . ASP 22 22 52385 1 . THR 23 23 52385 1 . ALA 24 24 52385 1 . ASP 25 25 52385 1 . GLN 26 26 52385 1 . VAL 27 27 52385 1 . MET 28 28 52385 1 . ALA 29 29 52385 1 . SER 30 30 52385 1 . PHE 31 31 52385 1 . LYS 32 32 52385 1 . ILE 33 33 52385 1 . LEU 34 34 52385 1 . ALA 35 35 52385 1 . GLY 36 36 52385 1 . ASP 37 37 52385 1 . LYS 38 38 52385 1 . ASN 39 39 52385 1 . TYR 40 40 52385 1 . ILE 41 41 52385 1 . THR 42 42 52385 1 . MET 43 43 52385 1 . ASP 44 44 52385 1 . GLU 45 45 52385 1 . LEU 46 46 52385 1 . ARG 47 47 52385 1 . ARG 48 48 52385 1 . GLU 49 49 52385 1 . LEU 50 50 52385 1 . PRO 51 51 52385 1 . PRO 52 52 52385 1 . ASP 53 53 52385 1 . GLN 54 54 52385 1 . ALA 55 55 52385 1 . GLU 56 56 52385 1 . TYR 57 57 52385 1 . CYS 58 58 52385 1 . ILE 59 59 52385 1 . ALA 60 60 52385 1 . ARG 61 61 52385 1 . MET 62 62 52385 1 . ALA 63 63 52385 1 . PRO 64 64 52385 1 . TYR 65 65 52385 1 . THR 66 66 52385 1 . GLY 67 67 52385 1 . PRO 68 68 52385 1 . ASP 69 69 52385 1 . SER 70 70 52385 1 . VAL 71 71 52385 1 . PRO 72 72 52385 1 . GLY 73 73 52385 1 . ALA 74 74 52385 1 . LEU 75 75 52385 1 . ASP 76 76 52385 1 . TYR 77 77 52385 1 . MET 78 78 52385 1 . SER 79 79 52385 1 . PHE 80 80 52385 1 . SER 81 81 52385 1 . THR 82 82 52385 1 . ALA 83 83 52385 1 . LEU 84 84 52385 1 . TYR 85 85 52385 1 . GLY 86 86 52385 1 . GLU 87 87 52385 1 . SER 88 88 52385 1 . ASP 89 89 52385 1 . LEU 90 90 52385 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 52385 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52385 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 52385 _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 . . pET15b . . . 52385 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52385 _Sample.ID 1 _Sample.Name 'ACTN1 EF34 in H2O' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 'ACTN1 EF34' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 52385 1 2 TRIS '[U-99% 2H]' . . . . . . 20 . . mM . . . . 52385 1 3 EDTA '[U-99% 2H]' . . . . . . 1 . . mM . . . . 52385 1 4 DTT '[U-99% 2H]' . . . . . . 1 . . mM . . . . 52385 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 52385 _Sample_condition_list.ID 1 _Sample_condition_list.Name Physiological _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 pH 7.5 . pH 52385 1 pressure 1 . atm 52385 1 temperature 302 . K 52385 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52385 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52385 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52385 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52385 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 52385 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 52385 _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 . . . . . . . . . . . . . . . . . 52385 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52385 1 3 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52385 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52385 1 5 '3D HBHANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52385 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52385 1 7 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52385 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52385 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52385 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52385 1 11 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52385 1 12 '3D 13C-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52385 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 52385 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '1H CS' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52385 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52385 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52385 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 52385 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name ACTN1-EF34 _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' . . . 52385 1 2 '3D HNCACB' . . . 52385 1 3 '3D HN(CO)CACB' . . . 52385 1 4 '3D HNCO' . . . 52385 1 5 '3D HBHANH' . . . 52385 1 6 '3D HBHA(CO)NH' . . . 52385 1 7 '3D C(CO)NH' . . . 52385 1 8 '3D H(CCO)NH' . . . 52385 1 9 '2D 1H-13C HSQC' . . . 52385 1 10 '3D HCCH-TOCSY' . . . 52385 1 11 '2D 1H-13C HSQC aromatic' . . . 52385 1 12 '3D 13C-separated NOESY' . . . 52385 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 . . 52385 1 2 $software_2 . . 52385 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 22 22 ASP H H 1 8.319 0.001 . 1 . . . . . 824 D H . 52385 1 2 . 1 . 1 22 22 ASP HA H 1 4.641 0.005 . 1 . . . . . 824 D HA . 52385 1 3 . 1 . 1 22 22 ASP HB2 H 1 2.673 0.003 . 1 . . . . . 824 D HB . 52385 1 4 . 1 . 1 22 22 ASP HB3 H 1 2.673 0.003 . 1 . . . . . 824 D HB . 52385 1 5 . 1 . 1 22 22 ASP C C 13 176.640 0.000 . 1 . . . . . 824 D C . 52385 1 6 . 1 . 1 22 22 ASP CA C 13 54.965 0.102 . 1 . . . . . 824 D CA . 52385 1 7 . 1 . 1 22 22 ASP CB C 13 41.584 0.032 . 1 . . . . . 824 D CB . 52385 1 8 . 1 . 1 22 22 ASP N N 15 121.313 0.015 . 1 . . . . . 824 D N . 52385 1 9 . 1 . 1 23 23 THR H H 1 8.003 0.001 . 1 . . . . . 825 T H . 52385 1 10 . 1 . 1 23 23 THR HA H 1 4.348 0.023 . 1 . . . . . 825 T HA . 52385 1 11 . 1 . 1 23 23 THR HG21 H 1 1.191 0.000 . 1 . . . . . 825 T HG2 . 52385 1 12 . 1 . 1 23 23 THR HG22 H 1 1.191 0.000 . 1 . . . . . 825 T HG2 . 52385 1 13 . 1 . 1 23 23 THR HG23 H 1 1.191 0.000 . 1 . . . . . 825 T HG2 . 52385 1 14 . 1 . 1 23 23 THR C C 13 175.210 0.000 . 1 . . . . . 825 T C . 52385 1 15 . 1 . 1 23 23 THR CA C 13 61.999 0.021 . 1 . . . . . 825 T CA . 52385 1 16 . 1 . 1 23 23 THR CB C 13 70.238 0.020 . 1 . . . . . 825 T CB . 52385 1 17 . 1 . 1 23 23 THR CG2 C 13 21.980 0.001 . 1 . . . . . 825 T CG2 . 52385 1 18 . 1 . 1 23 23 THR N N 15 112.085 0.014 . 1 . . . . . 825 T N . 52385 1 19 . 1 . 1 24 24 ALA H H 1 8.514 0.001 . 1 . . . . . 826 A H . 52385 1 20 . 1 . 1 24 24 ALA HA H 1 4.102 0.003 . 1 . . . . . 826 A HA . 52385 1 21 . 1 . 1 24 24 ALA HB1 H 1 1.468 0.003 . 1 . . . . . 826 A HB . 52385 1 22 . 1 . 1 24 24 ALA HB2 H 1 1.468 0.003 . 1 . . . . . 826 A HB . 52385 1 23 . 1 . 1 24 24 ALA HB3 H 1 1.468 0.003 . 1 . . . . . 826 A HB . 52385 1 24 . 1 . 1 24 24 ALA C C 13 178.703 0.000 . 1 . . . . . 826 A C . 52385 1 25 . 1 . 1 24 24 ALA CA C 13 55.027 0.032 . 1 . . . . . 826 A CA . 52385 1 26 . 1 . 1 24 24 ALA CB C 13 18.603 0.026 . 1 . . . . . 826 A CB . 52385 1 27 . 1 . 1 24 24 ALA N N 15 124.543 0.008 . 1 . . . . . 826 A N . 52385 1 28 . 1 . 1 25 25 ASP H H 1 8.291 0.000 . 1 . . . . . 827 D H . 52385 1 29 . 1 . 1 25 25 ASP HA H 1 4.417 0.003 . 1 . . . . . 827 D HA . 52385 1 30 . 1 . 1 25 25 ASP HB2 H 1 2.656 0.005 . 1 . . . . . 827 D HB . 52385 1 31 . 1 . 1 25 25 ASP HB3 H 1 2.656 0.005 . 1 . . . . . 827 D HB . 52385 1 32 . 1 . 1 25 25 ASP C C 13 178.448 0.000 . 1 . . . . . 827 D C . 52385 1 33 . 1 . 1 25 25 ASP CA C 13 56.688 0.051 . 1 . . . . . 827 D CA . 52385 1 34 . 1 . 1 25 25 ASP CB C 13 40.578 0.025 . 1 . . . . . 827 D CB . 52385 1 35 . 1 . 1 25 25 ASP N N 15 116.514 0.030 . 1 . . . . . 827 D N . 52385 1 36 . 1 . 1 26 26 GLN H H 1 7.891 0.001 . 1 . . . . . 828 Q H . 52385 1 37 . 1 . 1 26 26 GLN HA H 1 4.094 0.006 . 1 . . . . . 828 Q HA . 52385 1 38 . 1 . 1 26 26 GLN HB2 H 1 2.107 0.003 . 1 . . . . . 828 Q HB . 52385 1 39 . 1 . 1 26 26 GLN HB3 H 1 2.107 0.003 . 1 . . . . . 828 Q HB . 52385 1 40 . 1 . 1 26 26 GLN HG2 H 1 2.352 0.000 . 1 . . . . . 828 Q HG . 52385 1 41 . 1 . 1 26 26 GLN HG3 H 1 2.352 0.000 . 1 . . . . . 828 Q HG . 52385 1 42 . 1 . 1 26 26 GLN C C 13 178.404 0.000 . 1 . . . . . 828 Q C . 52385 1 43 . 1 . 1 26 26 GLN CA C 13 58.234 0.041 . 1 . . . . . 828 Q CA . 52385 1 44 . 1 . 1 26 26 GLN CB C 13 28.697 0.036 . 1 . . . . . 828 Q CB . 52385 1 45 . 1 . 1 26 26 GLN CG C 13 34.156 0.000 . 1 . . . . . 828 Q CG . 52385 1 46 . 1 . 1 26 26 GLN N N 15 120.242 0.014 . 1 . . . . . 828 Q N . 52385 1 47 . 1 . 1 27 27 VAL H H 1 7.998 0.000 . 1 . . . . . 829 V H . 52385 1 48 . 1 . 1 27 27 VAL HA H 1 3.493 0.001 . 1 . . . . . 829 V HA . 52385 1 49 . 1 . 1 27 27 VAL HB H 1 1.937 0.004 . 1 . . . . . 829 V HB . 52385 1 50 . 1 . 1 27 27 VAL HG11 H 1 0.825 0.000 . 1 . . . . . 829 V HG1 . 52385 1 51 . 1 . 1 27 27 VAL HG12 H 1 0.825 0.000 . 1 . . . . . 829 V HG1 . 52385 1 52 . 1 . 1 27 27 VAL HG13 H 1 0.825 0.000 . 1 . . . . . 829 V HG1 . 52385 1 53 . 1 . 1 27 27 VAL HG21 H 1 0.502 0.002 . 1 . . . . . 829 V HG2 . 52385 1 54 . 1 . 1 27 27 VAL HG22 H 1 0.502 0.002 . 1 . . . . . 829 V HG2 . 52385 1 55 . 1 . 1 27 27 VAL HG23 H 1 0.502 0.002 . 1 . . . . . 829 V HG2 . 52385 1 56 . 1 . 1 27 27 VAL C C 13 177.756 0.000 . 1 . . . . . 829 V C . 52385 1 57 . 1 . 1 27 27 VAL CA C 13 65.819 0.024 . 1 . . . . . 829 V CA . 52385 1 58 . 1 . 1 27 27 VAL CB C 13 31.532 0.034 . 1 . . . . . 829 V CB . 52385 1 59 . 1 . 1 27 27 VAL CG1 C 13 22.314 0.000 . 1 . . . . . 829 V CG1 . 52385 1 60 . 1 . 1 27 27 VAL CG2 C 13 21.668 0.000 . 1 . . . . . 829 V CG2 . 52385 1 61 . 1 . 1 27 27 VAL N N 15 121.187 0.011 . 1 . . . . . 829 V N . 52385 1 62 . 1 . 1 28 28 MET H H 1 8.169 0.000 . 1 . . . . . 830 M H . 52385 1 63 . 1 . 1 28 28 MET HA H 1 4.095 0.007 . 1 . . . . . 830 M HA . 52385 1 64 . 1 . 1 28 28 MET HB2 H 1 2.193 0.004 . 1 . . . . . 830 M HB . 52385 1 65 . 1 . 1 28 28 MET HB3 H 1 2.193 0.004 . 1 . . . . . 830 M HB . 52385 1 66 . 1 . 1 28 28 MET HG2 H 1 2.787 0.000 . 1 . . . . . 830 M HG . 52385 1 67 . 1 . 1 28 28 MET HG3 H 1 2.787 0.000 . 1 . . . . . 830 M HG . 52385 1 68 . 1 . 1 28 28 MET HE1 H 1 2.303 0.001 . 1 . . . . . 830 M HE . 52385 1 69 . 1 . 1 28 28 MET HE2 H 1 2.303 0.001 . 1 . . . . . 830 M HE . 52385 1 70 . 1 . 1 28 28 MET HE3 H 1 2.303 0.001 . 1 . . . . . 830 M HE . 52385 1 71 . 1 . 1 28 28 MET C C 13 178.254 0.000 . 1 . . . . . 830 M C . 52385 1 72 . 1 . 1 28 28 MET CA C 13 58.435 0.032 . 1 . . . . . 830 M CA . 52385 1 73 . 1 . 1 28 28 MET CB C 13 31.926 0.053 . 1 . . . . . 830 M CB . 52385 1 74 . 1 . 1 28 28 MET CE C 13 17.512 0.000 . 1 . . . . . 830 M CE . 52385 1 75 . 1 . 1 28 28 MET N N 15 118.855 0.016 . 1 . . . . . 830 M N . 52385 1 76 . 1 . 1 29 29 ALA H H 1 7.790 0.001 . 1 . . . . . 831 A H . 52385 1 77 . 1 . 1 29 29 ALA HA H 1 4.074 0.002 . 1 . . . . . 831 A HA . 52385 1 78 . 1 . 1 29 29 ALA HB1 H 1 1.431 0.002 . 1 . . . . . 831 A HB . 52385 1 79 . 1 . 1 29 29 ALA HB2 H 1 1.431 0.002 . 1 . . . . . 831 A HB . 52385 1 80 . 1 . 1 29 29 ALA HB3 H 1 1.431 0.002 . 1 . . . . . 831 A HB . 52385 1 81 . 1 . 1 29 29 ALA C C 13 180.220 0.000 . 1 . . . . . 831 A C . 52385 1 82 . 1 . 1 29 29 ALA CA C 13 54.873 0.029 . 1 . . . . . 831 A CA . 52385 1 83 . 1 . 1 29 29 ALA CB C 13 18.039 0.029 . 1 . . . . . 831 A CB . 52385 1 84 . 1 . 1 29 29 ALA N N 15 120.735 0.019 . 1 . . . . . 831 A N . 52385 1 85 . 1 . 1 30 30 SER H H 1 7.738 0.001 . 1 . . . . . 832 S H . 52385 1 86 . 1 . 1 30 30 SER HA H 1 4.159 0.008 . 1 . . . . . 832 S HA . 52385 1 87 . 1 . 1 30 30 SER HB2 H 1 3.835 0.008 . 2 . . . . . 832 S HB2 . 52385 1 88 . 1 . 1 30 30 SER HB3 H 1 3.735 0.003 . 2 . . . . . 832 S HB3 . 52385 1 89 . 1 . 1 30 30 SER C C 13 176.849 0.000 . 1 . . . . . 832 S C . 52385 1 90 . 1 . 1 30 30 SER CA C 13 61.327 0.075 . 1 . . . . . 832 S CA . 52385 1 91 . 1 . 1 30 30 SER CB C 13 62.640 0.051 . 1 . . . . . 832 S CB . 52385 1 92 . 1 . 1 30 30 SER N N 15 114.467 0.015 . 1 . . . . . 832 S N . 52385 1 93 . 1 . 1 31 31 PHE H H 1 7.831 0.003 . 1 . . . . . 833 F H . 52385 1 94 . 1 . 1 31 31 PHE HA H 1 4.185 0.013 . 1 . . . . . 833 F HA . 52385 1 95 . 1 . 1 31 31 PHE HB2 H 1 2.928 0.003 . 2 . . . . . 833 F HB2 . 52385 1 96 . 1 . 1 31 31 PHE HB3 H 1 2.495 0.003 . 2 . . . . . 833 F HB3 . 52385 1 97 . 1 . 1 31 31 PHE HD1 H 1 7.040 0.000 . 1 . . . . . 833 F HD . 52385 1 98 . 1 . 1 31 31 PHE HD2 H 1 7.040 0.000 . 1 . . . . . 833 F HD . 52385 1 99 . 1 . 1 31 31 PHE HE1 H 1 6.860 0.000 . 1 . . . . . 833 F HE . 52385 1 100 . 1 . 1 31 31 PHE HE2 H 1 6.860 0.000 . 1 . . . . . 833 F HE . 52385 1 101 . 1 . 1 31 31 PHE C C 13 176.772 0.000 . 1 . . . . . 833 F C . 52385 1 102 . 1 . 1 31 31 PHE CA C 13 59.045 0.058 . 1 . . . . . 833 F CA . 52385 1 103 . 1 . 1 31 31 PHE CB C 13 38.184 0.024 . 1 . . . . . 833 F CB . 52385 1 104 . 1 . 1 31 31 PHE N N 15 121.654 0.010 . 1 . . . . . 833 F N . 52385 1 105 . 1 . 1 32 32 LYS H H 1 7.843 0.002 . 1 . . . . . 834 K H . 52385 1 106 . 1 . 1 32 32 LYS HA H 1 3.652 0.055 . 1 . . . . . 834 K HA . 52385 1 107 . 1 . 1 32 32 LYS HB2 H 1 1.866 0.006 . 1 . . . . . 834 K HB . 52385 1 108 . 1 . 1 32 32 LYS HB3 H 1 1.866 0.006 . 1 . . . . . 834 K HB . 52385 1 109 . 1 . 1 32 32 LYS HG2 H 1 1.498 0.000 . 1 . . . . . 834 K HG . 52385 1 110 . 1 . 1 32 32 LYS HG3 H 1 1.498 0.000 . 1 . . . . . 834 K HG . 52385 1 111 . 1 . 1 32 32 LYS C C 13 178.995 0.000 . 1 . . . . . 834 K C . 52385 1 112 . 1 . 1 32 32 LYS CA C 13 59.669 0.088 . 1 . . . . . 834 K CA . 52385 1 113 . 1 . 1 32 32 LYS CB C 13 32.217 0.016 . 1 . . . . . 834 K CB . 52385 1 114 . 1 . 1 32 32 LYS CG C 13 25.368 0.000 . 1 . . . . . 834 K CG . 52385 1 115 . 1 . 1 32 32 LYS CD C 13 29.349 0.000 . 1 . . . . . 834 K CD . 52385 1 116 . 1 . 1 32 32 LYS N N 15 118.934 0.019 . 1 . . . . . 834 K N . 52385 1 117 . 1 . 1 33 33 ILE H H 1 7.296 0.000 . 1 . . . . . 835 I H . 52385 1 118 . 1 . 1 33 33 ILE HA H 1 3.750 0.003 . 1 . . . . . 835 I HA . 52385 1 119 . 1 . 1 33 33 ILE HB H 1 1.875 0.003 . 1 . . . . . 835 I HB . 52385 1 120 . 1 . 1 33 33 ILE HG12 H 1 1.602 0.000 . 2 . . . . . 835 I HG12 . 52385 1 121 . 1 . 1 33 33 ILE HG13 H 1 1.159 0.000 . 2 . . . . . 835 I HG13 . 52385 1 122 . 1 . 1 33 33 ILE HG21 H 1 0.846 0.000 . 1 . . . . . 835 I HG2 . 52385 1 123 . 1 . 1 33 33 ILE HG22 H 1 0.846 0.000 . 1 . . . . . 835 I HG2 . 52385 1 124 . 1 . 1 33 33 ILE HG23 H 1 0.846 0.000 . 1 . . . . . 835 I HG2 . 52385 1 125 . 1 . 1 33 33 ILE HD11 H 1 0.806 0.000 . 1 . . . . . 835 I HD1 . 52385 1 126 . 1 . 1 33 33 ILE HD12 H 1 0.806 0.000 . 1 . . . . . 835 I HD1 . 52385 1 127 . 1 . 1 33 33 ILE HD13 H 1 0.806 0.000 . 1 . . . . . 835 I HD1 . 52385 1 128 . 1 . 1 33 33 ILE C C 13 179.264 0.000 . 1 . . . . . 835 I C . 52385 1 129 . 1 . 1 33 33 ILE CA C 13 64.076 0.017 . 1 . . . . . 835 I CA . 52385 1 130 . 1 . 1 33 33 ILE CB C 13 37.874 0.026 . 1 . . . . . 835 I CB . 52385 1 131 . 1 . 1 33 33 ILE CG1 C 13 28.778 0.000 . 1 . . . . . 835 I CG1 . 52385 1 132 . 1 . 1 33 33 ILE CG2 C 13 17.151 0.008 . 1 . . . . . 835 I CG2 . 52385 1 133 . 1 . 1 33 33 ILE CD1 C 13 12.698 0.002 . 1 . . . . . 835 I CD1 . 52385 1 134 . 1 . 1 33 33 ILE N N 15 118.497 0.023 . 1 . . . . . 835 I N . 52385 1 135 . 1 . 1 34 34 LEU H H 1 7.623 0.000 . 1 . . . . . 836 L H . 52385 1 136 . 1 . 1 34 34 LEU HA H 1 3.965 0.004 . 1 . . . . . 836 L HA . 52385 1 137 . 1 . 1 34 34 LEU HB2 H 1 1.722 0.006 . 2 . . . . . 836 L HB2 . 52385 1 138 . 1 . 1 34 34 LEU HB3 H 1 1.402 0.012 . 2 . . . . . 836 L HB3 . 52385 1 139 . 1 . 1 34 34 LEU HD11 H 1 0.750 0.002 . 1 . . . . . 836 L HD1 . 52385 1 140 . 1 . 1 34 34 LEU HD12 H 1 0.750 0.002 . 1 . . . . . 836 L HD1 . 52385 1 141 . 1 . 1 34 34 LEU HD13 H 1 0.750 0.002 . 1 . . . . . 836 L HD1 . 52385 1 142 . 1 . 1 34 34 LEU HD21 H 1 0.751 0.004 . 1 . . . . . 836 L HD2 . 52385 1 143 . 1 . 1 34 34 LEU HD22 H 1 0.751 0.004 . 1 . . . . . 836 L HD2 . 52385 1 144 . 1 . 1 34 34 LEU HD23 H 1 0.751 0.004 . 1 . . . . . 836 L HD2 . 52385 1 145 . 1 . 1 34 34 LEU C C 13 177.902 0.000 . 1 . . . . . 836 L C . 52385 1 146 . 1 . 1 34 34 LEU CA C 13 57.296 0.047 . 1 . . . . . 836 L CA . 52385 1 147 . 1 . 1 34 34 LEU CB C 13 42.445 0.029 . 1 . . . . . 836 L CB . 52385 1 148 . 1 . 1 34 34 LEU CG C 13 26.598 0.000 . 1 . . . . . 836 L CG . 52385 1 149 . 1 . 1 34 34 LEU CD1 C 13 24.661 0.000 . 1 . . . . . 836 L CD1 . 52385 1 150 . 1 . 1 34 34 LEU N N 15 121.316 0.012 . 1 . . . . . 836 L N . 52385 1 151 . 1 . 1 35 35 ALA H H 1 8.094 0.001 . 1 . . . . . 837 A H . 52385 1 152 . 1 . 1 35 35 ALA HA H 1 3.956 0.004 . 1 . . . . . 837 A HA . 52385 1 153 . 1 . 1 35 35 ALA HB1 H 1 1.171 0.003 . 1 . . . . . 837 A HB . 52385 1 154 . 1 . 1 35 35 ALA HB2 H 1 1.171 0.003 . 1 . . . . . 837 A HB . 52385 1 155 . 1 . 1 35 35 ALA HB3 H 1 1.171 0.003 . 1 . . . . . 837 A HB . 52385 1 156 . 1 . 1 35 35 ALA C C 13 179.673 0.000 . 1 . . . . . 837 A C . 52385 1 157 . 1 . 1 35 35 ALA CA C 13 53.294 0.070 . 1 . . . . . 837 A CA . 52385 1 158 . 1 . 1 35 35 ALA CB C 13 19.388 0.036 . 1 . . . . . 837 A CB . 52385 1 159 . 1 . 1 35 35 ALA N N 15 119.044 0.016 . 1 . . . . . 837 A N . 52385 1 160 . 1 . 1 36 36 GLY H H 1 7.707 0.001 . 1 . . . . . 838 G H . 52385 1 161 . 1 . 1 36 36 GLY HA2 H 1 3.846 0.006 . 2 . . . . . 838 G HA2 . 52385 1 162 . 1 . 1 36 36 GLY HA3 H 1 3.744 0.003 . 2 . . . . . 838 G HA3 . 52385 1 163 . 1 . 1 36 36 GLY C C 13 174.934 0.000 . 1 . . . . . 838 G C . 52385 1 164 . 1 . 1 36 36 GLY CA C 13 47.187 0.046 . 1 . . . . . 838 G CA . 52385 1 165 . 1 . 1 36 36 GLY N N 15 107.516 0.019 . 1 . . . . . 838 G N . 52385 1 166 . 1 . 1 37 37 ASP H H 1 8.688 0.001 . 1 . . . . . 839 D H . 52385 1 167 . 1 . 1 37 37 ASP HA H 1 4.471 0.005 . 1 . . . . . 839 D HA . 52385 1 168 . 1 . 1 37 37 ASP HB2 H 1 2.725 0.008 . 1 . . . . . 839 D HB . 52385 1 169 . 1 . 1 37 37 ASP HB3 H 1 2.725 0.008 . 1 . . . . . 839 D HB . 52385 1 170 . 1 . 1 37 37 ASP C C 13 175.894 0.000 . 1 . . . . . 839 D C . 52385 1 171 . 1 . 1 37 37 ASP CA C 13 54.701 0.125 . 1 . . . . . 839 D CA . 52385 1 172 . 1 . 1 37 37 ASP CB C 13 40.255 0.043 . 1 . . . . . 839 D CB . 52385 1 173 . 1 . 1 37 37 ASP N N 15 121.462 0.019 . 1 . . . . . 839 D N . 52385 1 174 . 1 . 1 38 38 LYS H H 1 7.506 0.003 . 1 . . . . . 840 K H . 52385 1 175 . 1 . 1 38 38 LYS HA H 1 4.320 0.003 . 1 . . . . . 840 K HA . 52385 1 176 . 1 . 1 38 38 LYS HB2 H 1 1.919 0.004 . 1 . . . . . 840 K HB . 52385 1 177 . 1 . 1 38 38 LYS HB3 H 1 1.919 0.004 . 1 . . . . . 840 K HB . 52385 1 178 . 1 . 1 38 38 LYS HG2 H 1 1.104 0.000 . 1 . . . . . 840 K HG . 52385 1 179 . 1 . 1 38 38 LYS HG3 H 1 1.104 0.000 . 1 . . . . . 840 K HG . 52385 1 180 . 1 . 1 38 38 LYS C C 13 176.496 0.000 . 1 . . . . . 840 K C . 52385 1 181 . 1 . 1 38 38 LYS CA C 13 55.998 0.019 . 1 . . . . . 840 K CA . 52385 1 182 . 1 . 1 38 38 LYS CB C 13 33.742 0.044 . 1 . . . . . 840 K CB . 52385 1 183 . 1 . 1 38 38 LYS N N 15 117.418 0.031 . 1 . . . . . 840 K N . 52385 1 184 . 1 . 1 39 39 ASN H H 1 8.681 0.003 . 1 . . . . . 841 N H . 52385 1 185 . 1 . 1 39 39 ASN HA H 1 4.619 0.002 . 1 . . . . . 841 N HA . 52385 1 186 . 1 . 1 39 39 ASN HB2 H 1 2.993 0.002 . 2 . . . . . 841 N HB2 . 52385 1 187 . 1 . 1 39 39 ASN HB3 H 1 2.611 0.006 . 2 . . . . . 841 N HB3 . 52385 1 188 . 1 . 1 39 39 ASN C C 13 171.851 0.000 . 1 . . . . . 841 N C . 52385 1 189 . 1 . 1 39 39 ASN CA C 13 53.691 0.095 . 1 . . . . . 841 N CA . 52385 1 190 . 1 . 1 39 39 ASN CB C 13 39.165 0.088 . 1 . . . . . 841 N CB . 52385 1 191 . 1 . 1 39 39 ASN N N 15 116.663 0.040 . 1 . . . . . 841 N N . 52385 1 192 . 1 . 1 40 40 TYR H H 1 6.628 0.001 . 1 . . . . . 842 Y H . 52385 1 193 . 1 . 1 40 40 TYR HA H 1 4.979 0.007 . 1 . . . . . 842 Y HA . 52385 1 194 . 1 . 1 40 40 TYR HB2 H 1 2.788 0.003 . 2 . . . . . 842 Y HB2 . 52385 1 195 . 1 . 1 40 40 TYR HB3 H 1 1.651 0.008 . 2 . . . . . 842 Y HB3 . 52385 1 196 . 1 . 1 40 40 TYR HD1 H 1 6.827 0.002 . 1 . . . . . 842 Y HD . 52385 1 197 . 1 . 1 40 40 TYR HD2 H 1 6.827 0.002 . 1 . . . . . 842 Y HD . 52385 1 198 . 1 . 1 40 40 TYR HE1 H 1 6.603 0.000 . 1 . . . . . 842 Y HE . 52385 1 199 . 1 . 1 40 40 TYR HE2 H 1 6.603 0.000 . 1 . . . . . 842 Y HE . 52385 1 200 . 1 . 1 40 40 TYR C C 13 172.037 0.000 . 1 . . . . . 842 Y C . 52385 1 201 . 1 . 1 40 40 TYR CA C 13 55.100 0.038 . 1 . . . . . 842 Y CA . 52385 1 202 . 1 . 1 40 40 TYR CB C 13 40.470 0.034 . 1 . . . . . 842 Y CB . 52385 1 203 . 1 . 1 40 40 TYR N N 15 112.285 0.014 . 1 . . . . . 842 Y N . 52385 1 204 . 1 . 1 41 41 ILE H H 1 8.615 0.001 . 1 . . . . . 843 I H . 52385 1 205 . 1 . 1 41 41 ILE HA H 1 4.847 0.005 . 1 . . . . . 843 I HA . 52385 1 206 . 1 . 1 41 41 ILE HB H 1 1.524 0.003 . 1 . . . . . 843 I HB . 52385 1 207 . 1 . 1 41 41 ILE HG12 H 1 1.087 0.000 . 1 . . . . . 843 I HG1 . 52385 1 208 . 1 . 1 41 41 ILE HG13 H 1 1.087 0.000 . 1 . . . . . 843 I HG1 . 52385 1 209 . 1 . 1 41 41 ILE HG21 H 1 0.778 0.001 . 1 . . . . . 843 I HG2 . 52385 1 210 . 1 . 1 41 41 ILE HG22 H 1 0.778 0.001 . 1 . . . . . 843 I HG2 . 52385 1 211 . 1 . 1 41 41 ILE HG23 H 1 0.778 0.001 . 1 . . . . . 843 I HG2 . 52385 1 212 . 1 . 1 41 41 ILE HD11 H 1 0.583 0.004 . 1 . . . . . 843 I HD1 . 52385 1 213 . 1 . 1 41 41 ILE HD12 H 1 0.583 0.004 . 1 . . . . . 843 I HD1 . 52385 1 214 . 1 . 1 41 41 ILE HD13 H 1 0.583 0.004 . 1 . . . . . 843 I HD1 . 52385 1 215 . 1 . 1 41 41 ILE C C 13 174.516 0.000 . 1 . . . . . 843 I C . 52385 1 216 . 1 . 1 41 41 ILE CA C 13 59.052 0.058 . 1 . . . . . 843 I CA . 52385 1 217 . 1 . 1 41 41 ILE CB C 13 43.050 0.019 . 1 . . . . . 843 I CB . 52385 1 218 . 1 . 1 41 41 ILE CG1 C 13 28.507 0.000 . 1 . . . . . 843 I CG1 . 52385 1 219 . 1 . 1 41 41 ILE CG2 C 13 17.755 0.060 . 1 . . . . . 843 I CG2 . 52385 1 220 . 1 . 1 41 41 ILE CD1 C 13 14.900 0.000 . 1 . . . . . 843 I CD1 . 52385 1 221 . 1 . 1 41 41 ILE N N 15 115.429 0.010 . 1 . . . . . 843 I N . 52385 1 222 . 1 . 1 42 42 THR H H 1 9.256 0.001 . 1 . . . . . 844 T H . 52385 1 223 . 1 . 1 42 42 THR HA H 1 5.383 0.000 . 1 . . . . . 844 T HA . 52385 1 224 . 1 . 1 42 42 THR HB H 1 4.681 0.003 . 1 . . . . . 844 T HB . 52385 1 225 . 1 . 1 42 42 THR HG21 H 1 1.254 0.002 . 1 . . . . . 844 T HG2 . 52385 1 226 . 1 . 1 42 42 THR HG22 H 1 1.254 0.002 . 1 . . . . . 844 T HG2 . 52385 1 227 . 1 . 1 42 42 THR HG23 H 1 1.254 0.002 . 1 . . . . . 844 T HG2 . 52385 1 228 . 1 . 1 42 42 THR C C 13 176.058 0.000 . 1 . . . . . 844 T C . 52385 1 229 . 1 . 1 42 42 THR CA C 13 60.419 0.067 . 1 . . . . . 844 T CA . 52385 1 230 . 1 . 1 42 42 THR CB C 13 71.287 0.012 . 1 . . . . . 844 T CB . 52385 1 231 . 1 . 1 42 42 THR CG2 C 13 22.309 0.023 . 1 . . . . . 844 T CG2 . 52385 1 232 . 1 . 1 42 42 THR N N 15 117.024 0.008 . 1 . . . . . 844 T N . 52385 1 233 . 1 . 1 43 43 MET H H 1 8.560 0.004 . 1 . . . . . 845 M H . 52385 1 234 . 1 . 1 43 43 MET HA H 1 3.844 0.008 . 1 . . . . . 845 M HA . 52385 1 235 . 1 . 1 43 43 MET HB2 H 1 2.170 0.008 . 2 . . . . . 845 M HB2 . 52385 1 236 . 1 . 1 43 43 MET HB3 H 1 2.046 0.014 . 2 . . . . . 845 M HB3 . 52385 1 237 . 1 . 1 43 43 MET HG2 H 1 2.902 0.019 . 2 . . . . . 845 M HG2 . 52385 1 238 . 1 . 1 43 43 MET HG3 H 1 2.520 0.009 . 2 . . . . . 845 M HG3 . 52385 1 239 . 1 . 1 43 43 MET HE1 H 1 2.153 0.001 . 1 . . . . . 845 M HE . 52385 1 240 . 1 . 1 43 43 MET HE2 H 1 2.153 0.001 . 1 . . . . . 845 M HE . 52385 1 241 . 1 . 1 43 43 MET HE3 H 1 2.153 0.001 . 1 . . . . . 845 M HE . 52385 1 242 . 1 . 1 43 43 MET C C 13 177.639 0.000 . 1 . . . . . 845 M C . 52385 1 243 . 1 . 1 43 43 MET CA C 13 60.413 0.019 . 1 . . . . . 845 M CA . 52385 1 244 . 1 . 1 43 43 MET CB C 13 33.021 0.089 . 1 . . . . . 845 M CB . 52385 1 245 . 1 . 1 43 43 MET CG C 13 30.876 0.000 . 1 . . . . . 845 M CG . 52385 1 246 . 1 . 1 43 43 MET CE C 13 17.623 0.000 . 1 . . . . . 845 M CE . 52385 1 247 . 1 . 1 43 43 MET N N 15 119.818 0.010 . 1 . . . . . 845 M N . 52385 1 248 . 1 . 1 44 44 ASP H H 1 8.338 0.000 . 1 . . . . . 846 D H . 52385 1 249 . 1 . 1 44 44 ASP HA H 1 4.297 0.002 . 1 . . . . . 846 D HA . 52385 1 250 . 1 . 1 44 44 ASP HB2 H 1 2.571 0.002 . 1 . . . . . 846 D HB . 52385 1 251 . 1 . 1 44 44 ASP HB3 H 1 2.571 0.002 . 1 . . . . . 846 D HB . 52385 1 252 . 1 . 1 44 44 ASP C C 13 178.933 0.000 . 1 . . . . . 846 D C . 52385 1 253 . 1 . 1 44 44 ASP CA C 13 57.498 0.023 . 1 . . . . . 846 D CA . 52385 1 254 . 1 . 1 44 44 ASP CB C 13 40.598 0.020 . 1 . . . . . 846 D CB . 52385 1 255 . 1 . 1 44 44 ASP N N 15 116.334 0.032 . 1 . . . . . 846 D N . 52385 1 256 . 1 . 1 45 45 GLU H H 1 7.801 0.000 . 1 . . . . . 847 E H . 52385 1 257 . 1 . 1 45 45 GLU HA H 1 3.867 0.001 . 1 . . . . . 847 E HA . 52385 1 258 . 1 . 1 45 45 GLU HB2 H 1 2.370 0.002 . 2 . . . . . 847 E HB2 . 52385 1 259 . 1 . 1 45 45 GLU HB3 H 1 1.792 0.005 . 2 . . . . . 847 E HB3 . 52385 1 260 . 1 . 1 45 45 GLU HG2 H 1 2.307 0.000 . 1 . . . . . 847 E HG . 52385 1 261 . 1 . 1 45 45 GLU HG3 H 1 2.307 0.000 . 1 . . . . . 847 E HG . 52385 1 262 . 1 . 1 45 45 GLU C C 13 178.894 0.000 . 1 . . . . . 847 E C . 52385 1 263 . 1 . 1 45 45 GLU CA C 13 59.776 0.048 . 1 . . . . . 847 E CA . 52385 1 264 . 1 . 1 45 45 GLU CB C 13 29.680 0.010 . 1 . . . . . 847 E CB . 52385 1 265 . 1 . 1 45 45 GLU CG C 13 37.621 0.000 . 1 . . . . . 847 E CG . 52385 1 266 . 1 . 1 45 45 GLU N N 15 120.444 0.011 . 1 . . . . . 847 E N . 52385 1 267 . 1 . 1 46 46 LEU H H 1 7.815 0.001 . 1 . . . . . 848 L H . 52385 1 268 . 1 . 1 46 46 LEU HA H 1 3.846 0.004 . 1 . . . . . 848 L HA . 52385 1 269 . 1 . 1 46 46 LEU HB2 H 1 1.960 0.005 . 2 . . . . . 848 L HB2 . 52385 1 270 . 1 . 1 46 46 LEU HB3 H 1 1.201 0.005 . 2 . . . . . 848 L HB3 . 52385 1 271 . 1 . 1 46 46 LEU HG H 1 1.612 0.007 . 1 . . . . . 848 L HG . 52385 1 272 . 1 . 1 46 46 LEU HD11 H 1 0.646 0.001 . 1 . . . . . 848 L HD1 . 52385 1 273 . 1 . 1 46 46 LEU HD12 H 1 0.646 0.001 . 1 . . . . . 848 L HD1 . 52385 1 274 . 1 . 1 46 46 LEU HD13 H 1 0.646 0.001 . 1 . . . . . 848 L HD1 . 52385 1 275 . 1 . 1 46 46 LEU HD21 H 1 0.699 0.002 . 1 . . . . . 848 L HD2 . 52385 1 276 . 1 . 1 46 46 LEU HD22 H 1 0.699 0.002 . 1 . . . . . 848 L HD2 . 52385 1 277 . 1 . 1 46 46 LEU HD23 H 1 0.699 0.002 . 1 . . . . . 848 L HD2 . 52385 1 278 . 1 . 1 46 46 LEU C C 13 178.141 0.000 . 1 . . . . . 848 L C . 52385 1 279 . 1 . 1 46 46 LEU CA C 13 58.839 0.047 . 1 . . . . . 848 L CA . 52385 1 280 . 1 . 1 46 46 LEU CB C 13 42.531 0.022 . 1 . . . . . 848 L CB . 52385 1 281 . 1 . 1 46 46 LEU CG C 13 27.511 0.000 . 1 . . . . . 848 L CG . 52385 1 282 . 1 . 1 46 46 LEU CD1 C 13 27.657 0.022 . 1 . . . . . 848 L CD1 . 52385 1 283 . 1 . 1 46 46 LEU CD2 C 13 24.723 0.000 . 1 . . . . . 848 L CD2 . 52385 1 284 . 1 . 1 46 46 LEU N N 15 118.670 0.008 . 1 . . . . . 848 L N . 52385 1 285 . 1 . 1 47 47 ARG H H 1 8.032 0.001 . 1 . . . . . 849 R H . 52385 1 286 . 1 . 1 47 47 ARG HA H 1 3.936 0.010 . 1 . . . . . 849 R HA . 52385 1 287 . 1 . 1 47 47 ARG HB2 H 1 1.849 0.013 . 2 . . . . . 849 R HB2 . 52385 1 288 . 1 . 1 47 47 ARG HB3 H 1 1.730 0.000 . 2 . . . . . 849 R HB3 . 52385 1 289 . 1 . 1 47 47 ARG HG2 H 1 1.481 0.000 . 1 . . . . . 849 R HG . 52385 1 290 . 1 . 1 47 47 ARG HG3 H 1 1.481 0.000 . 1 . . . . . 849 R HG . 52385 1 291 . 1 . 1 47 47 ARG HD2 H 1 3.073 0.000 . 1 . . . . . 849 R HD . 52385 1 292 . 1 . 1 47 47 ARG HD3 H 1 3.073 0.000 . 1 . . . . . 849 R HD . 52385 1 293 . 1 . 1 47 47 ARG C C 13 177.917 0.000 . 1 . . . . . 849 R C . 52385 1 294 . 1 . 1 47 47 ARG CA C 13 58.706 0.054 . 1 . . . . . 849 R CA . 52385 1 295 . 1 . 1 47 47 ARG CB C 13 29.948 0.129 . 1 . . . . . 849 R CB . 52385 1 296 . 1 . 1 47 47 ARG CG C 13 27.952 0.000 . 1 . . . . . 849 R CG . 52385 1 297 . 1 . 1 47 47 ARG CD C 13 43.438 0.000 . 1 . . . . . 849 R CD . 52385 1 298 . 1 . 1 47 47 ARG N N 15 113.978 0.016 . 1 . . . . . 849 R N . 52385 1 299 . 1 . 1 48 48 ARG H H 1 7.702 0.001 . 1 . . . . . 850 R H . 52385 1 300 . 1 . 1 48 48 ARG HA H 1 4.208 0.004 . 1 . . . . . 850 R HA . 52385 1 301 . 1 . 1 48 48 ARG HB2 H 1 1.949 0.002 . 1 . . . . . 850 R HB . 52385 1 302 . 1 . 1 48 48 ARG HB3 H 1 1.949 0.002 . 1 . . . . . 850 R HB . 52385 1 303 . 1 . 1 48 48 ARG HG2 H 1 1.728 0.000 . 1 . . . . . 850 R HG2 . 52385 1 304 . 1 . 1 48 48 ARG HG3 H 1 1.541 0.000 . 1 . . . . . 850 R HG3 . 52385 1 305 . 1 . 1 48 48 ARG HD2 H 1 3.208 0.000 . 1 . . . . . 850 R HD . 52385 1 306 . 1 . 1 48 48 ARG HD3 H 1 3.208 0.000 . 1 . . . . . 850 R HD . 52385 1 307 . 1 . 1 48 48 ARG C C 13 178.057 0.000 . 1 . . . . . 850 R C . 52385 1 308 . 1 . 1 48 48 ARG CA C 13 58.386 0.064 . 1 . . . . . 850 R CA . 52385 1 309 . 1 . 1 48 48 ARG CB C 13 31.125 0.018 . 1 . . . . . 850 R CB . 52385 1 310 . 1 . 1 48 48 ARG CG C 13 27.694 0.000 . 1 . . . . . 850 R CG . 52385 1 311 . 1 . 1 48 48 ARG CD C 13 43.716 0.000 . 1 . . . . . 850 R CD . 52385 1 312 . 1 . 1 48 48 ARG N N 15 118.031 0.013 . 1 . . . . . 850 R N . 52385 1 313 . 1 . 1 49 49 GLU H H 1 7.557 0.001 . 1 . . . . . 851 E H . 52385 1 314 . 1 . 1 49 49 GLU HA H 1 4.386 0.002 . 1 . . . . . 851 E HA . 52385 1 315 . 1 . 1 49 49 GLU HB2 H 1 2.161 0.005 . 2 . . . . . 851 E HB2 . 52385 1 316 . 1 . 1 49 49 GLU HB3 H 1 1.748 0.001 . 2 . . . . . 851 E HB3 . 52385 1 317 . 1 . 1 49 49 GLU HG2 H 1 2.441 0.000 . 2 . . . . . 851 E HG2 . 52385 1 318 . 1 . 1 49 49 GLU HG3 H 1 2.291 0.000 . 2 . . . . . 851 E HG3 . 52385 1 319 . 1 . 1 49 49 GLU C C 13 176.375 0.000 . 1 . . . . . 851 E C . 52385 1 320 . 1 . 1 49 49 GLU CA C 13 57.021 0.050 . 1 . . . . . 851 E CA . 52385 1 321 . 1 . 1 49 49 GLU CB C 13 31.705 0.141 . 1 . . . . . 851 E CB . 52385 1 322 . 1 . 1 49 49 GLU CG C 13 35.340 0.000 . 1 . . . . . 851 E CG . 52385 1 323 . 1 . 1 49 49 GLU N N 15 115.404 0.010 . 1 . . . . . 851 E N . 52385 1 324 . 1 . 1 50 50 LEU H H 1 7.852 0.001 . 1 . . . . . 852 L H . 52385 1 325 . 1 . 1 50 50 LEU HA H 1 4.903 0.004 . 1 . . . . . 852 L HA . 52385 1 326 . 1 . 1 50 50 LEU HB2 H 1 1.745 0.000 . 2 . . . . . 852 L HB2 . 52385 1 327 . 1 . 1 50 50 LEU HB3 H 1 1.358 0.001 . 2 . . . . . 852 L HB3 . 52385 1 328 . 1 . 1 50 50 LEU HG H 1 1.687 0.000 . 1 . . . . . 852 L HG . 52385 1 329 . 1 . 1 50 50 LEU HD11 H 1 0.853 0.000 . 1 . . . . . 852 L HD1 . 52385 1 330 . 1 . 1 50 50 LEU HD12 H 1 0.853 0.000 . 1 . . . . . 852 L HD1 . 52385 1 331 . 1 . 1 50 50 LEU HD13 H 1 0.853 0.000 . 1 . . . . . 852 L HD1 . 52385 1 332 . 1 . 1 50 50 LEU HD21 H 1 0.890 0.001 . 1 . . . . . 852 L HD2 . 52385 1 333 . 1 . 1 50 50 LEU HD22 H 1 0.890 0.001 . 1 . . . . . 852 L HD2 . 52385 1 334 . 1 . 1 50 50 LEU HD23 H 1 0.890 0.001 . 1 . . . . . 852 L HD2 . 52385 1 335 . 1 . 1 50 50 LEU CA C 13 52.268 0.000 . 1 . . . . . 852 L CA . 52385 1 336 . 1 . 1 50 50 LEU CB C 13 42.700 0.000 . 1 . . . . . 852 L CB . 52385 1 337 . 1 . 1 50 50 LEU CD1 C 13 26.760 0.000 . 1 . . . . . 852 L CD1 . 52385 1 338 . 1 . 1 50 50 LEU CD2 C 13 23.089 0.000 . 1 . . . . . 852 L CD2 . 52385 1 339 . 1 . 1 50 50 LEU N N 15 118.921 0.008 . 1 . . . . . 852 L N . 52385 1 340 . 1 . 1 52 52 PRO HA H 1 4.287 0.004 . 1 . . . . . 854 P HA . 52385 1 341 . 1 . 1 52 52 PRO HB2 H 1 2.455 0.008 . 2 . . . . . 854 P HB2 . 52385 1 342 . 1 . 1 52 52 PRO HB3 H 1 2.055 0.002 . 2 . . . . . 854 P HB3 . 52385 1 343 . 1 . 1 52 52 PRO HG2 H 1 2.179 0.000 . 1 . . . . . 854 P HG . 52385 1 344 . 1 . 1 52 52 PRO HG3 H 1 2.179 0.000 . 1 . . . . . 854 P HG . 52385 1 345 . 1 . 1 52 52 PRO C C 13 178.145 0.000 . 1 . . . . . 854 P C . 52385 1 346 . 1 . 1 52 52 PRO CA C 13 66.525 0.009 . 1 . . . . . 854 P CA . 52385 1 347 . 1 . 1 52 52 PRO CB C 13 32.245 0.022 . 1 . . . . . 854 P CB . 52385 1 348 . 1 . 1 52 52 PRO CG C 13 27.530 0.000 . 1 . . . . . 854 P CG . 52385 1 349 . 1 . 1 52 52 PRO CD C 13 50.439 0.000 . 1 . . . . . 854 P CD . 52385 1 350 . 1 . 1 53 53 ASP H H 1 8.760 0.000 . 1 . . . . . 855 D H . 52385 1 351 . 1 . 1 53 53 ASP HA H 1 4.354 0.006 . 1 . . . . . 855 D HA . 52385 1 352 . 1 . 1 53 53 ASP HB2 H 1 2.744 0.005 . 2 . . . . . 855 D HB2 . 52385 1 353 . 1 . 1 53 53 ASP HB3 H 1 2.600 0.009 . 2 . . . . . 855 D HB3 . 52385 1 354 . 1 . 1 53 53 ASP C C 13 179.123 0.000 . 1 . . . . . 855 D C . 52385 1 355 . 1 . 1 53 53 ASP CA C 13 56.924 0.041 . 1 . . . . . 855 D CA . 52385 1 356 . 1 . 1 53 53 ASP CB C 13 39.212 0.022 . 1 . . . . . 855 D CB . 52385 1 357 . 1 . 1 53 53 ASP N N 15 114.726 0.006 . 1 . . . . . 855 D N . 52385 1 358 . 1 . 1 54 54 GLN H H 1 7.475 0.000 . 1 . . . . . 856 Q H . 52385 1 359 . 1 . 1 54 54 GLN HA H 1 4.199 0.003 . 1 . . . . . 856 Q HA . 52385 1 360 . 1 . 1 54 54 GLN HB2 H 1 2.138 0.002 . 2 . . . . . 856 Q HB2 . 52385 1 361 . 1 . 1 54 54 GLN HB3 H 1 1.989 0.005 . 2 . . . . . 856 Q HB3 . 52385 1 362 . 1 . 1 54 54 GLN HG2 H 1 2.437 0.000 . 2 . . . . . 856 Q HG2 . 52385 1 363 . 1 . 1 54 54 GLN HG3 H 1 2.291 0.000 . 2 . . . . . 856 Q HG3 . 52385 1 364 . 1 . 1 54 54 GLN C C 13 178.219 0.000 . 1 . . . . . 856 Q C . 52385 1 365 . 1 . 1 54 54 GLN CA C 13 58.440 0.068 . 1 . . . . . 856 Q CA . 52385 1 366 . 1 . 1 54 54 GLN CB C 13 29.435 0.027 . 1 . . . . . 856 Q CB . 52385 1 367 . 1 . 1 54 54 GLN CG C 13 34.163 0.000 . 1 . . . . . 856 Q CG . 52385 1 368 . 1 . 1 54 54 GLN N N 15 121.371 0.015 . 1 . . . . . 856 Q N . 52385 1 369 . 1 . 1 55 55 ALA H H 1 8.860 0.001 . 1 . . . . . 857 A H . 52385 1 370 . 1 . 1 55 55 ALA HA H 1 3.802 0.002 . 1 . . . . . 857 A HA . 52385 1 371 . 1 . 1 55 55 ALA HB1 H 1 1.334 0.004 . 1 . . . . . 857 A HB . 52385 1 372 . 1 . 1 55 55 ALA HB2 H 1 1.334 0.004 . 1 . . . . . 857 A HB . 52385 1 373 . 1 . 1 55 55 ALA HB3 H 1 1.334 0.004 . 1 . . . . . 857 A HB . 52385 1 374 . 1 . 1 55 55 ALA C C 13 179.191 0.000 . 1 . . . . . 857 A C . 52385 1 375 . 1 . 1 55 55 ALA CA C 13 56.448 0.055 . 1 . . . . . 857 A CA . 52385 1 376 . 1 . 1 55 55 ALA CB C 13 17.988 0.028 . 1 . . . . . 857 A CB . 52385 1 377 . 1 . 1 55 55 ALA N N 15 122.663 0.012 . 1 . . . . . 857 A N . 52385 1 378 . 1 . 1 56 56 GLU H H 1 8.173 0.001 . 1 . . . . . 858 E H . 52385 1 379 . 1 . 1 56 56 GLU HA H 1 4.026 0.005 . 1 . . . . . 858 E HA . 52385 1 380 . 1 . 1 56 56 GLU HB2 H 1 2.152 0.002 . 2 . . . . . 858 E HB2 . 52385 1 381 . 1 . 1 56 56 GLU HB3 H 1 2.005 0.003 . 2 . . . . . 858 E HB3 . 52385 1 382 . 1 . 1 56 56 GLU HG2 H 1 2.572 0.000 . 2 . . . . . 858 E HG2 . 52385 1 383 . 1 . 1 56 56 GLU HG3 H 1 2.438 0.000 . 2 . . . . . 858 E HG3 . 52385 1 384 . 1 . 1 56 56 GLU C C 13 179.225 0.000 . 1 . . . . . 858 E C . 52385 1 385 . 1 . 1 56 56 GLU CA C 13 58.877 0.052 . 1 . . . . . 858 E CA . 52385 1 386 . 1 . 1 56 56 GLU CB C 13 28.595 0.019 . 1 . . . . . 858 E CB . 52385 1 387 . 1 . 1 56 56 GLU CG C 13 35.682 0.000 . 1 . . . . . 858 E CG . 52385 1 388 . 1 . 1 56 56 GLU N N 15 114.131 0.010 . 1 . . . . . 858 E N . 52385 1 389 . 1 . 1 57 57 TYR H H 1 7.641 0.001 . 1 . . . . . 859 Y H . 52385 1 390 . 1 . 1 57 57 TYR HA H 1 4.101 0.012 . 1 . . . . . 859 Y HA . 52385 1 391 . 1 . 1 57 57 TYR HB2 H 1 3.372 0.004 . 2 . . . . . 859 Y HB2 . 52385 1 392 . 1 . 1 57 57 TYR HB3 H 1 3.255 0.003 . 2 . . . . . 859 Y HB3 . 52385 1 393 . 1 . 1 57 57 TYR HD1 H 1 7.244 0.004 . 1 . . . . . 859 Y HD . 52385 1 394 . 1 . 1 57 57 TYR HD2 H 1 7.244 0.004 . 1 . . . . . 859 Y HD . 52385 1 395 . 1 . 1 57 57 TYR HE1 H 1 6.840 0.000 . 1 . . . . . 859 Y HE . 52385 1 396 . 1 . 1 57 57 TYR HE2 H 1 6.840 0.000 . 1 . . . . . 859 Y HE . 52385 1 397 . 1 . 1 57 57 TYR C C 13 177.733 0.000 . 1 . . . . . 859 Y C . 52385 1 398 . 1 . 1 57 57 TYR CA C 13 61.204 0.033 . 1 . . . . . 859 Y CA . 52385 1 399 . 1 . 1 57 57 TYR CB C 13 38.740 0.013 . 1 . . . . . 859 Y CB . 52385 1 400 . 1 . 1 57 57 TYR N N 15 120.562 0.009 . 1 . . . . . 859 Y N . 52385 1 401 . 1 . 1 58 58 CYS H H 1 8.067 0.002 . 1 . . . . . 860 C H . 52385 1 402 . 1 . 1 58 58 CYS HA H 1 4.105 0.003 . 1 . . . . . 860 C HA . 52385 1 403 . 1 . 1 58 58 CYS HB2 H 1 3.083 0.006 . 2 . . . . . 860 C HB2 . 52385 1 404 . 1 . 1 58 58 CYS HB3 H 1 2.567 0.006 . 2 . . . . . 860 C HB3 . 52385 1 405 . 1 . 1 58 58 CYS C C 13 176.666 0.000 . 1 . . . . . 860 C C . 52385 1 406 . 1 . 1 58 58 CYS CA C 13 64.380 0.033 . 1 . . . . . 860 C CA . 52385 1 407 . 1 . 1 58 58 CYS CB C 13 27.349 0.010 . 1 . . . . . 860 C CB . 52385 1 408 . 1 . 1 58 58 CYS N N 15 115.681 0.010 . 1 . . . . . 860 C N . 52385 1 409 . 1 . 1 59 59 ILE H H 1 8.437 0.001 . 1 . . . . . 861 I H . 52385 1 410 . 1 . 1 59 59 ILE HA H 1 3.345 0.003 . 1 . . . . . 861 I HA . 52385 1 411 . 1 . 1 59 59 ILE HB H 1 1.729 0.008 . 1 . . . . . 861 I HB . 52385 1 412 . 1 . 1 59 59 ILE HG12 H 1 1.900 0.000 . 1 . . . . . 861 I HG1 . 52385 1 413 . 1 . 1 59 59 ILE HG13 H 1 1.900 0.000 . 1 . . . . . 861 I HG1 . 52385 1 414 . 1 . 1 59 59 ILE HG21 H 1 0.899 0.002 . 1 . . . . . 861 I HG2 . 52385 1 415 . 1 . 1 59 59 ILE HG22 H 1 0.899 0.002 . 1 . . . . . 861 I HG2 . 52385 1 416 . 1 . 1 59 59 ILE HG23 H 1 0.899 0.002 . 1 . . . . . 861 I HG2 . 52385 1 417 . 1 . 1 59 59 ILE HD11 H 1 0.808 0.000 . 1 . . . . . 861 I HD1 . 52385 1 418 . 1 . 1 59 59 ILE HD12 H 1 0.808 0.000 . 1 . . . . . 861 I HD1 . 52385 1 419 . 1 . 1 59 59 ILE HD13 H 1 0.808 0.000 . 1 . . . . . 861 I HD1 . 52385 1 420 . 1 . 1 59 59 ILE C C 13 177.035 0.000 . 1 . . . . . 861 I C . 52385 1 421 . 1 . 1 59 59 ILE CA C 13 65.769 0.029 . 1 . . . . . 861 I CA . 52385 1 422 . 1 . 1 59 59 ILE CB C 13 38.662 0.026 . 1 . . . . . 861 I CB . 52385 1 423 . 1 . 1 59 59 ILE CG1 C 13 31.770 0.000 . 1 . . . . . 861 I CG1 . 52385 1 424 . 1 . 1 59 59 ILE CG2 C 13 16.980 0.019 . 1 . . . . . 861 I CG2 . 52385 1 425 . 1 . 1 59 59 ILE CD1 C 13 13.851 0.048 . 1 . . . . . 861 I CD1 . 52385 1 426 . 1 . 1 59 59 ILE N N 15 119.836 0.019 . 1 . . . . . 861 I N . 52385 1 427 . 1 . 1 60 60 ALA H H 1 7.321 0.001 . 1 . . . . . 862 A H . 52385 1 428 . 1 . 1 60 60 ALA HA H 1 4.185 0.001 . 1 . . . . . 862 A HA . 52385 1 429 . 1 . 1 60 60 ALA HB1 H 1 1.403 0.007 . 1 . . . . . 862 A HB . 52385 1 430 . 1 . 1 60 60 ALA HB2 H 1 1.403 0.007 . 1 . . . . . 862 A HB . 52385 1 431 . 1 . 1 60 60 ALA HB3 H 1 1.403 0.007 . 1 . . . . . 862 A HB . 52385 1 432 . 1 . 1 60 60 ALA C C 13 178.314 0.000 . 1 . . . . . 862 A C . 52385 1 433 . 1 . 1 60 60 ALA CA C 13 53.568 0.054 . 1 . . . . . 862 A CA . 52385 1 434 . 1 . 1 60 60 ALA CB C 13 18.919 0.020 . 1 . . . . . 862 A CB . 52385 1 435 . 1 . 1 60 60 ALA N N 15 116.869 0.013 . 1 . . . . . 862 A N . 52385 1 436 . 1 . 1 61 61 ARG H H 1 7.286 0.001 . 1 . . . . . 863 R H . 52385 1 437 . 1 . 1 61 61 ARG HA H 1 4.280 0.006 . 1 . . . . . 863 R HA . 52385 1 438 . 1 . 1 61 61 ARG HB2 H 1 2.274 0.006 . 2 . . . . . 863 R HB2 . 52385 1 439 . 1 . 1 61 61 ARG HB3 H 1 1.342 0.008 . 2 . . . . . 863 R HB3 . 52385 1 440 . 1 . 1 61 61 ARG HD2 H 1 2.745 0.000 . 1 . . . . . 863 R HD . 52385 1 441 . 1 . 1 61 61 ARG HD3 H 1 2.745 0.000 . 1 . . . . . 863 R HD . 52385 1 442 . 1 . 1 61 61 ARG C C 13 174.633 0.000 . 1 . . . . . 863 R C . 52385 1 443 . 1 . 1 61 61 ARG CA C 13 55.975 0.051 . 1 . . . . . 863 R CA . 52385 1 444 . 1 . 1 61 61 ARG CB C 13 31.494 0.032 . 1 . . . . . 863 R CB . 52385 1 445 . 1 . 1 61 61 ARG CG C 13 28.045 0.000 . 1 . . . . . 863 R CG . 52385 1 446 . 1 . 1 61 61 ARG CD C 13 42.422 0.000 . 1 . . . . . 863 R CD . 52385 1 447 . 1 . 1 61 61 ARG N N 15 116.547 0.021 . 1 . . . . . 863 R N . 52385 1 448 . 1 . 1 62 62 MET H H 1 7.207 0.001 . 1 . . . . . 864 M H . 52385 1 449 . 1 . 1 62 62 MET HA H 1 4.553 0.002 . 1 . . . . . 864 M HA . 52385 1 450 . 1 . 1 62 62 MET HB2 H 1 1.706 0.006 . 1 . . . . . 864 M HB . 52385 1 451 . 1 . 1 62 62 MET HB3 H 1 1.706 0.006 . 1 . . . . . 864 M HB . 52385 1 452 . 1 . 1 62 62 MET HG2 H 1 2.725 0.000 . 2 . . . . . 864 M HG2 . 52385 1 453 . 1 . 1 62 62 MET HG3 H 1 2.291 0.000 . 2 . . . . . 864 M HG3 . 52385 1 454 . 1 . 1 62 62 MET HE1 H 1 1.275 0.000 . 1 . . . . . 864 M HE . 52385 1 455 . 1 . 1 62 62 MET HE2 H 1 1.275 0.000 . 1 . . . . . 864 M HE . 52385 1 456 . 1 . 1 62 62 MET HE3 H 1 1.275 0.000 . 1 . . . . . 864 M HE . 52385 1 457 . 1 . 1 62 62 MET C C 13 173.659 0.000 . 1 . . . . . 864 M C . 52385 1 458 . 1 . 1 62 62 MET CA C 13 55.397 0.072 . 1 . . . . . 864 M CA . 52385 1 459 . 1 . 1 62 62 MET CB C 13 37.015 0.031 . 1 . . . . . 864 M CB . 52385 1 460 . 1 . 1 62 62 MET CG C 13 34.532 0.000 . 1 . . . . . 864 M CG . 52385 1 461 . 1 . 1 62 62 MET CE C 13 18.621 0.000 . 1 . . . . . 864 M CE . 52385 1 462 . 1 . 1 62 62 MET N N 15 117.897 0.014 . 1 . . . . . 864 M N . 52385 1 463 . 1 . 1 63 63 ALA H H 1 8.637 0.001 . 1 . . . . . 865 A H . 52385 1 464 . 1 . 1 63 63 ALA HA H 1 4.190 0.000 . 1 . . . . . 865 A HA . 52385 1 465 . 1 . 1 63 63 ALA HB1 H 1 1.349 0.001 . 1 . . . . . 865 A HB . 52385 1 466 . 1 . 1 63 63 ALA HB2 H 1 1.349 0.001 . 1 . . . . . 865 A HB . 52385 1 467 . 1 . 1 63 63 ALA HB3 H 1 1.349 0.001 . 1 . . . . . 865 A HB . 52385 1 468 . 1 . 1 63 63 ALA CA C 13 49.468 0.000 . 1 . . . . . 865 A CA . 52385 1 469 . 1 . 1 63 63 ALA CB C 13 18.565 0.017 . 1 . . . . . 865 A CB . 52385 1 470 . 1 . 1 63 63 ALA N N 15 125.201 0.010 . 1 . . . . . 865 A N . 52385 1 471 . 1 . 1 64 64 PRO HA H 1 4.539 0.003 . 1 . . . . . 866 P HA . 52385 1 472 . 1 . 1 64 64 PRO HB2 H 1 2.354 0.004 . 2 . . . . . 866 P HB2 . 52385 1 473 . 1 . 1 64 64 PRO HB3 H 1 1.694 0.001 . 2 . . . . . 866 P HB3 . 52385 1 474 . 1 . 1 64 64 PRO HG2 H 1 2.004 0.000 . 1 . . . . . 866 P HG . 52385 1 475 . 1 . 1 64 64 PRO HG3 H 1 2.004 0.000 . 1 . . . . . 866 P HG . 52385 1 476 . 1 . 1 64 64 PRO C C 13 175.945 0.000 . 1 . . . . . 866 P C . 52385 1 477 . 1 . 1 64 64 PRO CA C 13 62.894 0.021 . 1 . . . . . 866 P CA . 52385 1 478 . 1 . 1 64 64 PRO CB C 13 31.976 0.008 . 1 . . . . . 866 P CB . 52385 1 479 . 1 . 1 64 64 PRO CG C 13 27.573 0.000 . 1 . . . . . 866 P CG . 52385 1 480 . 1 . 1 64 64 PRO CD C 13 50.329 0.000 . 1 . . . . . 866 P CD . 52385 1 481 . 1 . 1 65 65 TYR H H 1 8.111 0.002 . 1 . . . . . 867 Y H . 52385 1 482 . 1 . 1 65 65 TYR HA H 1 4.741 0.001 . 1 . . . . . 867 Y HA . 52385 1 483 . 1 . 1 65 65 TYR HB2 H 1 2.498 0.008 . 2 . . . . . 867 Y HB2 . 52385 1 484 . 1 . 1 65 65 TYR HB3 H 1 2.358 0.007 . 2 . . . . . 867 Y HB3 . 52385 1 485 . 1 . 1 65 65 TYR HD1 H 1 6.752 0.001 . 1 . . . . . 867 Y HD . 52385 1 486 . 1 . 1 65 65 TYR HD2 H 1 6.752 0.001 . 1 . . . . . 867 Y HD . 52385 1 487 . 1 . 1 65 65 TYR HE1 H 1 6.709 0.000 . 1 . . . . . 867 Y HE . 52385 1 488 . 1 . 1 65 65 TYR HE2 H 1 6.709 0.000 . 1 . . . . . 867 Y HE . 52385 1 489 . 1 . 1 65 65 TYR C C 13 176.187 0.000 . 1 . . . . . 867 Y C . 52385 1 490 . 1 . 1 65 65 TYR CA C 13 57.227 0.028 . 1 . . . . . 867 Y CA . 52385 1 491 . 1 . 1 65 65 TYR CB C 13 39.210 0.027 . 1 . . . . . 867 Y CB . 52385 1 492 . 1 . 1 65 65 TYR N N 15 122.497 0.013 . 1 . . . . . 867 Y N . 52385 1 493 . 1 . 1 66 66 THR H H 1 8.424 0.003 . 1 . . . . . 868 T H . 52385 1 494 . 1 . 1 66 66 THR HA H 1 4.367 0.006 . 1 . . . . . 868 T HA . 52385 1 495 . 1 . 1 66 66 THR HG21 H 1 0.942 0.008 . 1 . . . . . 868 T HG2 . 52385 1 496 . 1 . 1 66 66 THR HG22 H 1 0.942 0.008 . 1 . . . . . 868 T HG2 . 52385 1 497 . 1 . 1 66 66 THR HG23 H 1 0.942 0.008 . 1 . . . . . 868 T HG2 . 52385 1 498 . 1 . 1 66 66 THR C C 13 173.724 0.000 . 1 . . . . . 868 T C . 52385 1 499 . 1 . 1 66 66 THR CA C 13 60.342 0.007 . 1 . . . . . 868 T CA . 52385 1 500 . 1 . 1 66 66 THR CB C 13 68.895 0.033 . 1 . . . . . 868 T CB . 52385 1 501 . 1 . 1 66 66 THR CG2 C 13 20.706 0.009 . 1 . . . . . 868 T CG2 . 52385 1 502 . 1 . 1 66 66 THR N N 15 119.628 0.021 . 1 . . . . . 868 T N . 52385 1 503 . 1 . 1 67 67 GLY H H 1 5.428 0.004 . 1 . . . . . 869 G H . 52385 1 504 . 1 . 1 67 67 GLY HA2 H 1 4.074 0.000 . 2 . . . . . 869 G HA2 . 52385 1 505 . 1 . 1 67 67 GLY HA3 H 1 3.593 0.000 . 2 . . . . . 869 G HA3 . 52385 1 506 . 1 . 1 67 67 GLY CA C 13 45.079 0.000 . 1 . . . . . 869 G CA . 52385 1 507 . 1 . 1 67 67 GLY N N 15 105.843 0.038 . 1 . . . . . 869 G N . 52385 1 508 . 1 . 1 68 68 PRO HA H 1 4.348 0.004 . 1 . . . . . 870 P HA . 52385 1 509 . 1 . 1 68 68 PRO HB2 H 1 2.322 0.002 . 2 . . . . . 870 P HB2 . 52385 1 510 . 1 . 1 68 68 PRO HB3 H 1 2.018 0.007 . 2 . . . . . 870 P HB3 . 52385 1 511 . 1 . 1 68 68 PRO HD2 H 1 3.635 0.000 . 1 . . . . . 870 P HD . 52385 1 512 . 1 . 1 68 68 PRO HD3 H 1 3.635 0.000 . 1 . . . . . 870 P HD . 52385 1 513 . 1 . 1 68 68 PRO C C 13 176.592 0.000 . 1 . . . . . 870 P C . 52385 1 514 . 1 . 1 68 68 PRO CA C 13 64.871 0.015 . 1 . . . . . 870 P CA . 52385 1 515 . 1 . 1 68 68 PRO CB C 13 31.580 0.030 . 1 . . . . . 870 P CB . 52385 1 516 . 1 . 1 68 68 PRO CG C 13 27.324 0.000 . 1 . . . . . 870 P CG . 52385 1 517 . 1 . 1 68 68 PRO CD C 13 49.818 0.000 . 1 . . . . . 870 P CD . 52385 1 518 . 1 . 1 69 69 ASP H H 1 9.243 0.001 . 1 . . . . . 871 D H . 52385 1 519 . 1 . 1 69 69 ASP HA H 1 4.623 0.002 . 1 . . . . . 871 D HA . 52385 1 520 . 1 . 1 69 69 ASP HB2 H 1 3.079 0.015 . 2 . . . . . 871 D HB2 . 52385 1 521 . 1 . 1 69 69 ASP HB3 H 1 2.736 0.005 . 2 . . . . . 871 D HB3 . 52385 1 522 . 1 . 1 69 69 ASP C C 13 174.873 0.000 . 1 . . . . . 871 D C . 52385 1 523 . 1 . 1 69 69 ASP CA C 13 52.834 0.062 . 1 . . . . . 871 D CA . 52385 1 524 . 1 . 1 69 69 ASP CB C 13 39.083 0.038 . 1 . . . . . 871 D CB . 52385 1 525 . 1 . 1 69 69 ASP N N 15 116.190 0.017 . 1 . . . . . 871 D N . 52385 1 526 . 1 . 1 70 70 SER H H 1 7.467 0.001 . 1 . . . . . 872 S H . 52385 1 527 . 1 . 1 70 70 SER HA H 1 3.521 0.005 . 1 . . . . . 872 S HA . 52385 1 528 . 1 . 1 70 70 SER HB2 H 1 3.710 0.003 . 1 . . . . . 872 S HB . 52385 1 529 . 1 . 1 70 70 SER HB3 H 1 3.710 0.003 . 1 . . . . . 872 S HB . 52385 1 530 . 1 . 1 70 70 SER C C 13 173.315 0.000 . 1 . . . . . 872 S C . 52385 1 531 . 1 . 1 70 70 SER CA C 13 59.294 0.084 . 1 . . . . . 872 S CA . 52385 1 532 . 1 . 1 70 70 SER CB C 13 63.386 0.036 . 1 . . . . . 872 S CB . 52385 1 533 . 1 . 1 70 70 SER N N 15 112.313 0.020 . 1 . . . . . 872 S N . 52385 1 534 . 1 . 1 71 71 VAL H H 1 6.397 0.000 . 1 . . . . . 873 V H . 52385 1 535 . 1 . 1 71 71 VAL HA H 1 4.746 0.000 . 1 . . . . . 873 V HA . 52385 1 536 . 1 . 1 71 71 VAL HB H 1 2.249 0.001 . 1 . . . . . 873 V HB . 52385 1 537 . 1 . 1 71 71 VAL HG11 H 1 0.949 0.001 . 1 . . . . . 873 V HG1 . 52385 1 538 . 1 . 1 71 71 VAL HG12 H 1 0.949 0.001 . 1 . . . . . 873 V HG1 . 52385 1 539 . 1 . 1 71 71 VAL HG13 H 1 0.949 0.001 . 1 . . . . . 873 V HG1 . 52385 1 540 . 1 . 1 71 71 VAL HG21 H 1 0.584 0.002 . 1 . . . . . 873 V HG2 . 52385 1 541 . 1 . 1 71 71 VAL HG22 H 1 0.584 0.002 . 1 . . . . . 873 V HG2 . 52385 1 542 . 1 . 1 71 71 VAL HG23 H 1 0.584 0.002 . 1 . . . . . 873 V HG2 . 52385 1 543 . 1 . 1 71 71 VAL CA C 13 58.087 0.000 . 1 . . . . . 873 V CA . 52385 1 544 . 1 . 1 71 71 VAL CB C 13 32.850 0.000 . 1 . . . . . 873 V CB . 52385 1 545 . 1 . 1 71 71 VAL CG1 C 13 21.691 0.000 . 1 . . . . . 873 V CG1 . 52385 1 546 . 1 . 1 71 71 VAL CG2 C 13 18.226 0.000 . 1 . . . . . 873 V CG2 . 52385 1 547 . 1 . 1 71 71 VAL N N 15 113.574 0.010 . 1 . . . . . 873 V N . 52385 1 548 . 1 . 1 72 72 PRO HA H 1 4.306 0.010 . 1 . . . . . 874 P HA . 52385 1 549 . 1 . 1 72 72 PRO HB2 H 1 2.307 0.001 . 2 . . . . . 874 P HB2 . 52385 1 550 . 1 . 1 72 72 PRO HB3 H 1 1.853 0.002 . 2 . . . . . 874 P HB3 . 52385 1 551 . 1 . 1 72 72 PRO HG2 H 1 2.131 0.000 . 1 . . . . . 874 P HG . 52385 1 552 . 1 . 1 72 72 PRO HG3 H 1 2.131 0.000 . 1 . . . . . 874 P HG . 52385 1 553 . 1 . 1 72 72 PRO C C 13 177.780 0.000 . 1 . . . . . 874 P C . 52385 1 554 . 1 . 1 72 72 PRO CA C 13 64.402 0.018 . 1 . . . . . 874 P CA . 52385 1 555 . 1 . 1 72 72 PRO CB C 13 31.414 0.013 . 1 . . . . . 874 P CB . 52385 1 556 . 1 . 1 72 72 PRO CG C 13 27.966 0.000 . 1 . . . . . 874 P CG . 52385 1 557 . 1 . 1 72 72 PRO CD C 13 50.556 0.000 . 1 . . . . . 874 P CD . 52385 1 558 . 1 . 1 73 73 GLY H H 1 8.761 0.001 . 1 . . . . . 875 G H . 52385 1 559 . 1 . 1 73 73 GLY HA2 H 1 4.381 0.007 . 2 . . . . . 875 G HA2 . 52385 1 560 . 1 . 1 73 73 GLY HA3 H 1 3.716 0.004 . 2 . . . . . 875 G HA3 . 52385 1 561 . 1 . 1 73 73 GLY C C 13 174.216 0.000 . 1 . . . . . 875 G C . 52385 1 562 . 1 . 1 73 73 GLY CA C 13 45.666 0.043 . 1 . . . . . 875 G CA . 52385 1 563 . 1 . 1 73 73 GLY N N 15 112.088 0.014 . 1 . . . . . 875 G N . 52385 1 564 . 1 . 1 74 74 ALA H H 1 7.750 0.000 . 1 . . . . . 876 A H . 52385 1 565 . 1 . 1 74 74 ALA HA H 1 4.122 0.002 . 1 . . . . . 876 A HA . 52385 1 566 . 1 . 1 74 74 ALA HB1 H 1 1.125 0.003 . 1 . . . . . 876 A HB . 52385 1 567 . 1 . 1 74 74 ALA HB2 H 1 1.125 0.003 . 1 . . . . . 876 A HB . 52385 1 568 . 1 . 1 74 74 ALA HB3 H 1 1.125 0.003 . 1 . . . . . 876 A HB . 52385 1 569 . 1 . 1 74 74 ALA C C 13 177.203 0.000 . 1 . . . . . 876 A C . 52385 1 570 . 1 . 1 74 74 ALA CA C 13 53.235 0.071 . 1 . . . . . 876 A CA . 52385 1 571 . 1 . 1 74 74 ALA CB C 13 20.571 0.041 . 1 . . . . . 876 A CB . 52385 1 572 . 1 . 1 74 74 ALA N N 15 120.332 0.006 . 1 . . . . . 876 A N . 52385 1 573 . 1 . 1 75 75 LEU H H 1 9.590 0.001 . 1 . . . . . 877 L H . 52385 1 574 . 1 . 1 75 75 LEU HA H 1 4.809 0.008 . 1 . . . . . 877 L HA . 52385 1 575 . 1 . 1 75 75 LEU HB2 H 1 1.828 0.008 . 2 . . . . . 877 L HB2 . 52385 1 576 . 1 . 1 75 75 LEU HB3 H 1 1.166 0.003 . 2 . . . . . 877 L HB3 . 52385 1 577 . 1 . 1 75 75 LEU HG H 1 1.813 0.002 . 1 . . . . . 877 L HG . 52385 1 578 . 1 . 1 75 75 LEU HD11 H 1 0.784 0.002 . 1 . . . . . 877 L HD1 . 52385 1 579 . 1 . 1 75 75 LEU HD12 H 1 0.784 0.002 . 1 . . . . . 877 L HD1 . 52385 1 580 . 1 . 1 75 75 LEU HD13 H 1 0.784 0.002 . 1 . . . . . 877 L HD1 . 52385 1 581 . 1 . 1 75 75 LEU HD21 H 1 0.663 0.006 . 1 . . . . . 877 L HD2 . 52385 1 582 . 1 . 1 75 75 LEU HD22 H 1 0.663 0.006 . 1 . . . . . 877 L HD2 . 52385 1 583 . 1 . 1 75 75 LEU HD23 H 1 0.663 0.006 . 1 . . . . . 877 L HD2 . 52385 1 584 . 1 . 1 75 75 LEU C C 13 175.770 0.000 . 1 . . . . . 877 L C . 52385 1 585 . 1 . 1 75 75 LEU CA C 13 54.225 0.046 . 1 . . . . . 877 L CA . 52385 1 586 . 1 . 1 75 75 LEU CB C 13 44.855 0.040 . 1 . . . . . 877 L CB . 52385 1 587 . 1 . 1 75 75 LEU CG C 13 26.165 0.000 . 1 . . . . . 877 L CG . 52385 1 588 . 1 . 1 75 75 LEU CD1 C 13 27.847 0.050 . 1 . . . . . 877 L CD1 . 52385 1 589 . 1 . 1 75 75 LEU CD2 C 13 22.792 0.033 . 1 . . . . . 877 L CD2 . 52385 1 590 . 1 . 1 75 75 LEU N N 15 125.634 0.011 . 1 . . . . . 877 L N . 52385 1 591 . 1 . 1 76 76 ASP H H 1 9.009 0.001 . 1 . . . . . 878 D H . 52385 1 592 . 1 . 1 76 76 ASP HA H 1 4.897 0.005 . 1 . . . . . 878 D HA . 52385 1 593 . 1 . 1 76 76 ASP HB2 H 1 2.990 0.002 . 2 . . . . . 878 D HB2 . 52385 1 594 . 1 . 1 76 76 ASP HB3 H 1 2.425 0.002 . 2 . . . . . 878 D HB3 . 52385 1 595 . 1 . 1 76 76 ASP C C 13 177.269 0.000 . 1 . . . . . 878 D C . 52385 1 596 . 1 . 1 76 76 ASP CA C 13 52.223 0.136 . 1 . . . . . 878 D CA . 52385 1 597 . 1 . 1 76 76 ASP CB C 13 40.951 0.037 . 1 . . . . . 878 D CB . 52385 1 598 . 1 . 1 76 76 ASP N N 15 119.933 0.023 . 1 . . . . . 878 D N . 52385 1 599 . 1 . 1 77 77 TYR H H 1 7.468 0.002 . 1 . . . . . 879 Y H . 52385 1 600 . 1 . 1 77 77 TYR HA H 1 4.574 0.003 . 1 . . . . . 879 Y HA . 52385 1 601 . 1 . 1 77 77 TYR HB2 H 1 2.947 0.005 . 2 . . . . . 879 Y HB2 . 52385 1 602 . 1 . 1 77 77 TYR HB3 H 1 2.342 0.005 . 2 . . . . . 879 Y HB3 . 52385 1 603 . 1 . 1 77 77 TYR HD1 H 1 6.822 0.007 . 1 . . . . . 879 Y HD . 52385 1 604 . 1 . 1 77 77 TYR HD2 H 1 6.822 0.007 . 1 . . . . . 879 Y HD . 52385 1 605 . 1 . 1 77 77 TYR HE1 H 1 6.549 0.002 . 1 . . . . . 879 Y HE . 52385 1 606 . 1 . 1 77 77 TYR HE2 H 1 6.549 0.002 . 1 . . . . . 879 Y HE . 52385 1 607 . 1 . 1 77 77 TYR C C 13 176.510 0.000 . 1 . . . . . 879 Y C . 52385 1 608 . 1 . 1 77 77 TYR CA C 13 59.416 0.042 . 1 . . . . . 879 Y CA . 52385 1 609 . 1 . 1 77 77 TYR CB C 13 37.384 0.027 . 1 . . . . . 879 Y CB . 52385 1 610 . 1 . 1 77 77 TYR N N 15 126.260 0.017 . 1 . . . . . 879 Y N . 52385 1 611 . 1 . 1 78 78 MET H H 1 7.681 0.001 . 1 . . . . . 880 M H . 52385 1 612 . 1 . 1 78 78 MET HA H 1 4.582 0.012 . 1 . . . . . 880 M HA . 52385 1 613 . 1 . 1 78 78 MET HB2 H 1 2.123 0.009 . 1 . . . . . 880 M HB . 52385 1 614 . 1 . 1 78 78 MET HB3 H 1 2.123 0.009 . 1 . . . . . 880 M HB . 52385 1 615 . 1 . 1 78 78 MET HG2 H 1 2.462 0.000 . 1 . . . . . 880 M HG . 52385 1 616 . 1 . 1 78 78 MET HG3 H 1 2.462 0.000 . 1 . . . . . 880 M HG . 52385 1 617 . 1 . 1 78 78 MET HE1 H 1 2.117 0.002 . 1 . . . . . 880 M HE . 52385 1 618 . 1 . 1 78 78 MET HE2 H 1 2.117 0.002 . 1 . . . . . 880 M HE . 52385 1 619 . 1 . 1 78 78 MET HE3 H 1 2.117 0.002 . 1 . . . . . 880 M HE . 52385 1 620 . 1 . 1 78 78 MET C C 13 177.864 0.000 . 1 . . . . . 880 M C . 52385 1 621 . 1 . 1 78 78 MET CA C 13 56.564 0.051 . 1 . . . . . 880 M CA . 52385 1 622 . 1 . 1 78 78 MET CB C 13 30.227 0.060 . 1 . . . . . 880 M CB . 52385 1 623 . 1 . 1 78 78 MET CE C 13 16.351 0.060 . 1 . . . . . 880 M CE . 52385 1 624 . 1 . 1 78 78 MET N N 15 120.535 0.017 . 1 . . . . . 880 M N . 52385 1 625 . 1 . 1 79 79 SER H H 1 7.750 0.001 . 1 . . . . . 881 S H . 52385 1 626 . 1 . 1 79 79 SER HA H 1 4.469 0.004 . 1 . . . . . 881 S HA . 52385 1 627 . 1 . 1 79 79 SER HB2 H 1 4.165 0.003 . 2 . . . . . 881 S HB2 . 52385 1 628 . 1 . 1 79 79 SER HB3 H 1 3.873 0.004 . 2 . . . . . 881 S HB3 . 52385 1 629 . 1 . 1 79 79 SER C C 13 174.443 0.000 . 1 . . . . . 881 S C . 52385 1 630 . 1 . 1 79 79 SER CA C 13 59.330 0.055 . 1 . . . . . 881 S CA . 52385 1 631 . 1 . 1 79 79 SER CB C 13 64.350 0.029 . 1 . . . . . 881 S CB . 52385 1 632 . 1 . 1 79 79 SER N N 15 114.359 0.020 . 1 . . . . . 881 S N . 52385 1 633 . 1 . 1 80 80 PHE H H 1 7.381 0.001 . 1 . . . . . 882 F H . 52385 1 634 . 1 . 1 80 80 PHE HA H 1 4.667 0.004 . 1 . . . . . 882 F HA . 52385 1 635 . 1 . 1 80 80 PHE HB2 H 1 3.271 0.005 . 2 . . . . . 882 F HB2 . 52385 1 636 . 1 . 1 80 80 PHE HB3 H 1 3.170 0.005 . 2 . . . . . 882 F HB3 . 52385 1 637 . 1 . 1 80 80 PHE HD1 H 1 7.211 0.009 . 1 . . . . . 882 F HD . 52385 1 638 . 1 . 1 80 80 PHE HD2 H 1 7.211 0.009 . 1 . . . . . 882 F HD . 52385 1 639 . 1 . 1 80 80 PHE HE1 H 1 7.313 0.000 . 1 . . . . . 882 F HE . 52385 1 640 . 1 . 1 80 80 PHE HE2 H 1 7.313 0.000 . 1 . . . . . 882 F HE . 52385 1 641 . 1 . 1 80 80 PHE C C 13 175.215 0.000 . 1 . . . . . 882 F C . 52385 1 642 . 1 . 1 80 80 PHE CA C 13 59.494 0.102 . 1 . . . . . 882 F CA . 52385 1 643 . 1 . 1 80 80 PHE CB C 13 40.365 0.026 . 1 . . . . . 882 F CB . 52385 1 644 . 1 . 1 80 80 PHE N N 15 122.899 0.022 . 1 . . . . . 882 F N . 52385 1 645 . 1 . 1 81 81 SER H H 1 7.597 0.002 . 1 . . . . . 883 S H . 52385 1 646 . 1 . 1 81 81 SER HA H 1 4.311 0.003 . 1 . . . . . 883 S HA . 52385 1 647 . 1 . 1 81 81 SER HB2 H 1 3.987 0.006 . 2 . . . . . 883 S HB2 . 52385 1 648 . 1 . 1 81 81 SER HB3 H 1 3.863 0.009 . 2 . . . . . 883 S HB3 . 52385 1 649 . 1 . 1 81 81 SER C C 13 173.659 0.000 . 1 . . . . . 883 S C . 52385 1 650 . 1 . 1 81 81 SER CA C 13 58.340 0.041 . 1 . . . . . 883 S CA . 52385 1 651 . 1 . 1 81 81 SER CB C 13 64.417 0.023 . 1 . . . . . 883 S CB . 52385 1 652 . 1 . 1 81 81 SER N N 15 118.706 0.022 . 1 . . . . . 883 S N . 52385 1 653 . 1 . 1 82 82 THR H H 1 7.915 0.001 . 1 . . . . . 884 T H . 52385 1 654 . 1 . 1 82 82 THR HA H 1 4.047 0.006 . 1 . . . . . 884 T HA . 52385 1 655 . 1 . 1 82 82 THR HB H 1 4.302 0.006 . 1 . . . . . 884 T HB . 52385 1 656 . 1 . 1 82 82 THR HG21 H 1 1.259 0.000 . 1 . . . . . 884 T HG2 . 52385 1 657 . 1 . 1 82 82 THR HG22 H 1 1.259 0.000 . 1 . . . . . 884 T HG2 . 52385 1 658 . 1 . 1 82 82 THR HG23 H 1 1.259 0.000 . 1 . . . . . 884 T HG2 . 52385 1 659 . 1 . 1 82 82 THR C C 13 175.274 0.000 . 1 . . . . . 884 T C . 52385 1 660 . 1 . 1 82 82 THR CA C 13 63.477 0.034 . 1 . . . . . 884 T CA . 52385 1 661 . 1 . 1 82 82 THR CB C 13 69.064 0.013 . 1 . . . . . 884 T CB . 52385 1 662 . 1 . 1 82 82 THR CG2 C 13 22.128 0.026 . 1 . . . . . 884 T CG2 . 52385 1 663 . 1 . 1 82 82 THR N N 15 112.134 0.029 . 1 . . . . . 884 T N . 52385 1 664 . 1 . 1 83 83 ALA H H 1 7.856 0.001 . 1 . . . . . 885 A H . 52385 1 665 . 1 . 1 83 83 ALA HA H 1 4.242 0.002 . 1 . . . . . 885 A HA . 52385 1 666 . 1 . 1 83 83 ALA HB1 H 1 1.258 0.004 . 1 . . . . . 885 A HB . 52385 1 667 . 1 . 1 83 83 ALA HB2 H 1 1.258 0.004 . 1 . . . . . 885 A HB . 52385 1 668 . 1 . 1 83 83 ALA HB3 H 1 1.258 0.004 . 1 . . . . . 885 A HB . 52385 1 669 . 1 . 1 83 83 ALA C C 13 177.546 0.000 . 1 . . . . . 885 A C . 52385 1 670 . 1 . 1 83 83 ALA CA C 13 52.650 0.060 . 1 . . . . . 885 A CA . 52385 1 671 . 1 . 1 83 83 ALA CB C 13 19.140 0.035 . 1 . . . . . 885 A CB . 52385 1 672 . 1 . 1 83 83 ALA N N 15 125.144 0.011 . 1 . . . . . 885 A N . 52385 1 673 . 1 . 1 84 84 LEU H H 1 7.932 0.001 . 1 . . . . . 886 L H . 52385 1 674 . 1 . 1 84 84 LEU HA H 1 4.059 0.005 . 1 . . . . . 886 L HA . 52385 1 675 . 1 . 1 84 84 LEU HB2 H 1 1.427 0.004 . 2 . . . . . 886 L HB2 . 52385 1 676 . 1 . 1 84 84 LEU HB3 H 1 1.290 0.009 . 2 . . . . . 886 L HB3 . 52385 1 677 . 1 . 1 84 84 LEU HD11 H 1 0.804 0.001 . 1 . . . . . 886 L HD1 . 52385 1 678 . 1 . 1 84 84 LEU HD12 H 1 0.804 0.001 . 1 . . . . . 886 L HD1 . 52385 1 679 . 1 . 1 84 84 LEU HD13 H 1 0.804 0.001 . 1 . . . . . 886 L HD1 . 52385 1 680 . 1 . 1 84 84 LEU HD21 H 1 0.737 0.001 . 1 . . . . . 886 L HD2 . 52385 1 681 . 1 . 1 84 84 LEU HD22 H 1 0.737 0.001 . 1 . . . . . 886 L HD2 . 52385 1 682 . 1 . 1 84 84 LEU HD23 H 1 0.737 0.001 . 1 . . . . . 886 L HD2 . 52385 1 683 . 1 . 1 84 84 LEU C C 13 177.360 0.000 . 1 . . . . . 886 L C . 52385 1 684 . 1 . 1 84 84 LEU CA C 13 55.638 0.059 . 1 . . . . . 886 L CA . 52385 1 685 . 1 . 1 84 84 LEU CB C 13 42.358 0.030 . 1 . . . . . 886 L CB . 52385 1 686 . 1 . 1 84 84 LEU CG C 13 26.927 0.000 . 1 . . . . . 886 L CG . 52385 1 687 . 1 . 1 84 84 LEU CD1 C 13 24.965 0.104 . 1 . . . . . 886 L CD1 . 52385 1 688 . 1 . 1 84 84 LEU CD2 C 13 23.877 0.000 . 1 . . . . . 886 L CD2 . 52385 1 689 . 1 . 1 84 84 LEU N N 15 120.237 0.013 . 1 . . . . . 886 L N . 52385 1 690 . 1 . 1 85 85 TYR H H 1 8.109 0.001 . 1 . . . . . 887 Y H . 52385 1 691 . 1 . 1 85 85 TYR HA H 1 4.435 0.004 . 1 . . . . . 887 Y HA . 52385 1 692 . 1 . 1 85 85 TYR HB2 H 1 2.957 0.003 . 2 . . . . . 887 Y HB2 . 52385 1 693 . 1 . 1 85 85 TYR HB3 H 1 2.805 0.003 . 2 . . . . . 887 Y HB3 . 52385 1 694 . 1 . 1 85 85 TYR HD1 H 1 7.066 0.003 . 1 . . . . . 887 Y HD . 52385 1 695 . 1 . 1 85 85 TYR HD2 H 1 7.066 0.003 . 1 . . . . . 887 Y HD . 52385 1 696 . 1 . 1 85 85 TYR HE1 H 1 6.773 0.000 . 1 . . . . . 887 Y HE . 52385 1 697 . 1 . 1 85 85 TYR HE2 H 1 6.773 0.000 . 1 . . . . . 887 Y HE . 52385 1 698 . 1 . 1 85 85 TYR C C 13 176.458 0.000 . 1 . . . . . 887 Y C . 52385 1 699 . 1 . 1 85 85 TYR CA C 13 58.620 0.054 . 1 . . . . . 887 Y CA . 52385 1 700 . 1 . 1 85 85 TYR CB C 13 38.639 0.030 . 1 . . . . . 887 Y CB . 52385 1 701 . 1 . 1 85 85 TYR N N 15 120.356 0.018 . 1 . . . . . 887 Y N . 52385 1 702 . 1 . 1 86 86 GLY H H 1 8.085 0.001 . 1 . . . . . 888 G H . 52385 1 703 . 1 . 1 86 86 GLY HA2 H 1 3.826 0.002 . 1 . . . . . 888 G HA . 52385 1 704 . 1 . 1 86 86 GLY HA3 H 1 3.826 0.002 . 1 . . . . . 888 G HA . 52385 1 705 . 1 . 1 86 86 GLY C C 13 173.913 0.000 . 1 . . . . . 888 G C . 52385 1 706 . 1 . 1 86 86 GLY CA C 13 45.221 0.060 . 1 . . . . . 888 G CA . 52385 1 707 . 1 . 1 86 86 GLY N N 15 111.263 0.020 . 1 . . . . . 888 G N . 52385 1 708 . 1 . 1 87 87 GLU H H 1 8.057 0.001 . 1 . . . . . 889 E H . 52385 1 709 . 1 . 1 87 87 GLU HA H 1 4.300 0.005 . 1 . . . . . 889 E HA . 52385 1 710 . 1 . 1 87 87 GLU HB2 H 1 2.065 0.002 . 2 . . . . . 889 E HB2 . 52385 1 711 . 1 . 1 87 87 GLU HB3 H 1 1.911 0.005 . 2 . . . . . 889 E HB3 . 52385 1 712 . 1 . 1 87 87 GLU HG2 H 1 2.228 0.000 . 1 . . . . . 889 E HG . 52385 1 713 . 1 . 1 87 87 GLU HG3 H 1 2.228 0.000 . 1 . . . . . 889 E HG . 52385 1 714 . 1 . 1 87 87 GLU C C 13 176.492 0.000 . 1 . . . . . 889 E C . 52385 1 715 . 1 . 1 87 87 GLU CA C 13 56.654 0.061 . 1 . . . . . 889 E CA . 52385 1 716 . 1 . 1 87 87 GLU CB C 13 30.430 0.038 . 1 . . . . . 889 E CB . 52385 1 717 . 1 . 1 87 87 GLU CG C 13 36.388 0.000 . 1 . . . . . 889 E CG . 52385 1 718 . 1 . 1 87 87 GLU N N 15 120.198 0.009 . 1 . . . . . 889 E N . 52385 1 719 . 1 . 1 88 88 SER H H 1 8.288 0.000 . 1 . . . . . 890 S H . 52385 1 720 . 1 . 1 88 88 SER HA H 1 4.444 0.010 . 1 . . . . . 890 S HA . 52385 1 721 . 1 . 1 88 88 SER HB2 H 1 3.826 0.002 . 1 . . . . . 890 S HB . 52385 1 722 . 1 . 1 88 88 SER HB3 H 1 3.826 0.002 . 1 . . . . . 890 S HB . 52385 1 723 . 1 . 1 88 88 SER C C 13 173.987 0.000 . 1 . . . . . 890 S C . 52385 1 724 . 1 . 1 88 88 SER CA C 13 58.380 0.026 . 1 . . . . . 890 S CA . 52385 1 725 . 1 . 1 88 88 SER CB C 13 64.176 0.026 . 1 . . . . . 890 S CB . 52385 1 726 . 1 . 1 88 88 SER N N 15 116.096 0.017 . 1 . . . . . 890 S N . 52385 1 727 . 1 . 1 89 89 ASP H H 1 8.360 0.000 . 1 . . . . . 891 D H . 52385 1 728 . 1 . 1 89 89 ASP HA H 1 4.630 0.003 . 1 . . . . . 891 D HA . 52385 1 729 . 1 . 1 89 89 ASP HB2 H 1 2.711 0.001 . 2 . . . . . 891 D HB2 . 52385 1 730 . 1 . 1 89 89 ASP HB3 H 1 2.575 0.005 . 2 . . . . . 891 D HB3 . 52385 1 731 . 1 . 1 89 89 ASP C C 13 175.026 0.000 . 1 . . . . . 891 D C . 52385 1 732 . 1 . 1 89 89 ASP CA C 13 54.418 0.038 . 1 . . . . . 891 D CA . 52385 1 733 . 1 . 1 89 89 ASP CB C 13 41.072 0.054 . 1 . . . . . 891 D CB . 52385 1 734 . 1 . 1 89 89 ASP N N 15 122.842 0.007 . 1 . . . . . 891 D N . 52385 1 735 . 1 . 1 90 90 LEU H H 1 7.701 0.000 . 1 . . . . . 892 L H . 52385 1 736 . 1 . 1 90 90 LEU HA H 1 4.135 0.001 . 1 . . . . . 892 L HA . 52385 1 737 . 1 . 1 90 90 LEU HB2 H 1 1.540 0.002 . 1 . . . . . 892 L HB . 52385 1 738 . 1 . 1 90 90 LEU HB3 H 1 1.540 0.002 . 1 . . . . . 892 L HB . 52385 1 739 . 1 . 1 90 90 LEU HD11 H 1 0.862 0.001 . 1 . . . . . 892 L HD1 . 52385 1 740 . 1 . 1 90 90 LEU HD12 H 1 0.862 0.001 . 1 . . . . . 892 L HD1 . 52385 1 741 . 1 . 1 90 90 LEU HD13 H 1 0.862 0.001 . 1 . . . . . 892 L HD1 . 52385 1 742 . 1 . 1 90 90 LEU HD21 H 1 0.821 0.001 . 1 . . . . . 892 L HD2 . 52385 1 743 . 1 . 1 90 90 LEU HD22 H 1 0.821 0.001 . 1 . . . . . 892 L HD2 . 52385 1 744 . 1 . 1 90 90 LEU HD23 H 1 0.821 0.001 . 1 . . . . . 892 L HD2 . 52385 1 745 . 1 . 1 90 90 LEU CA C 13 56.904 0.000 . 1 . . . . . 892 L CA . 52385 1 746 . 1 . 1 90 90 LEU CB C 13 43.553 0.000 . 1 . . . . . 892 L CB . 52385 1 747 . 1 . 1 90 90 LEU CD1 C 13 25.290 0.000 . 1 . . . . . 892 L CD1 . 52385 1 748 . 1 . 1 90 90 LEU CD2 C 13 23.631 0.000 . 1 . . . . . 892 L CD2 . 52385 1 749 . 1 . 1 90 90 LEU N N 15 127.203 0.015 . 1 . . . . . 892 L N . 52385 1 stop_ save_