data_51078 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51078 _Entry.Title ; Backbone and side-chain resonance assignments of the harmonin homology domain 1 (HHD1) of human RTEL1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-07 _Entry.Accession_date 2021-09-07 _Entry.Last_release_date 2021-09-07 _Entry.Original_release_date 2021-09-07 _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 Meenakshi Ghosh . . . . 51078 2 Niranjan Kumar . . . 0000-0003-0142-8925 51078 3 Parthasarathy Manikandan . . . 0000-0002-3972-4271 51078 4 Sanmoyee Basak . . . . 51078 5 Mahavir Singh . . . 0000-0003-1251-8248 51078 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51078 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 316 51078 '15N chemical shifts' 92 51078 '1H chemical shifts' 498 51078 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 . . 2022-05-06 . original BMRB . 51078 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51077 'harmonin homology domain 2 (HHD2) of human RTEL1' 51078 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51078 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35320499 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Resonance assignment and secondary structure of the tandem harmonin homology domains of human RTEL1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 16 _Citation.Journal_issue 1 _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 159 _Citation.Page_last 164 _Citation.Year 2022 _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 Niranjan Kumar N. . . . 51078 1 2 Meenakshi Ghosh M. . . . 51078 1 3 Parthasarathy Manikandan P. . . . 51078 1 4 Sanmoyee Basak S. . . . 51078 1 5 Akula Deepa A. . . . 51078 1 6 Mahavir Singh M. . . . 51078 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51078 _Assembly.ID 1 _Assembly.Name RTEL1_HHD1 _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 yes _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 RTEL1_HHD1 1 $entity_1 . . yes native yes no . . . 51078 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Protein-protein interaction' 51078 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51078 _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 ; MGSSHHHHHHSEPVAGAQTD RAKLFMVAVKQELSQANFAT FTQALQDYKGSDDFAALAAC LGPLFAEDPKKHNLLQGFYQ FVRPHHKQQFEEVCIQLTGR GCGY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 104 _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 . 51078 1 2 . GLY . 51078 1 3 . SER . 51078 1 4 . SER . 51078 1 5 . HIS . 51078 1 6 . HIS . 51078 1 7 . HIS . 51078 1 8 . HIS . 51078 1 9 . HIS . 51078 1 10 . HIS . 51078 1 11 . SER . 51078 1 12 886 GLU . 51078 1 13 887 PRO . 51078 1 14 888 VAL . 51078 1 15 889 ALA . 51078 1 16 890 GLY . 51078 1 17 891 ALA . 51078 1 18 892 GLN . 51078 1 19 893 THR . 51078 1 20 894 ASP . 51078 1 21 895 ARG . 51078 1 22 896 ALA . 51078 1 23 897 LYS . 51078 1 24 898 LEU . 51078 1 25 899 PHE . 51078 1 26 900 MET . 51078 1 27 901 VAL . 51078 1 28 902 ALA . 51078 1 29 903 VAL . 51078 1 30 904 LYS . 51078 1 31 905 GLN . 51078 1 32 906 GLU . 51078 1 33 907 LEU . 51078 1 34 908 SER . 51078 1 35 909 GLN . 51078 1 36 910 ALA . 51078 1 37 911 ASN . 51078 1 38 912 PHE . 51078 1 39 913 ALA . 51078 1 40 914 THR . 51078 1 41 915 PHE . 51078 1 42 916 THR . 51078 1 43 917 GLN . 51078 1 44 918 ALA . 51078 1 45 919 LEU . 51078 1 46 920 GLN . 51078 1 47 921 ASP . 51078 1 48 922 TYR . 51078 1 49 923 LYS . 51078 1 50 924 GLY . 51078 1 51 925 SER . 51078 1 52 926 ASP . 51078 1 53 927 ASP . 51078 1 54 928 PHE . 51078 1 55 929 ALA . 51078 1 56 930 ALA . 51078 1 57 931 LEU . 51078 1 58 932 ALA . 51078 1 59 933 ALA . 51078 1 60 934 CYS . 51078 1 61 935 LEU . 51078 1 62 936 GLY . 51078 1 63 937 PRO . 51078 1 64 938 LEU . 51078 1 65 939 PHE . 51078 1 66 940 ALA . 51078 1 67 941 GLU . 51078 1 68 942 ASP . 51078 1 69 943 PRO . 51078 1 70 944 LYS . 51078 1 71 945 LYS . 51078 1 72 946 HIS . 51078 1 73 947 ASN . 51078 1 74 948 LEU . 51078 1 75 949 LEU . 51078 1 76 950 GLN . 51078 1 77 951 GLY . 51078 1 78 952 PHE . 51078 1 79 953 TYR . 51078 1 80 954 GLN . 51078 1 81 955 PHE . 51078 1 82 956 VAL . 51078 1 83 957 ARG . 51078 1 84 958 PRO . 51078 1 85 959 HIS . 51078 1 86 960 HIS . 51078 1 87 961 LYS . 51078 1 88 962 GLN . 51078 1 89 963 GLN . 51078 1 90 964 PHE . 51078 1 91 965 GLU . 51078 1 92 966 GLU . 51078 1 93 967 VAL . 51078 1 94 968 CYS . 51078 1 95 969 ILE . 51078 1 96 970 GLN . 51078 1 97 971 LEU . 51078 1 98 972 THR . 51078 1 99 973 GLY . 51078 1 100 974 ARG . 51078 1 101 975 GLY . 51078 1 102 976 CYS . 51078 1 103 977 GLY . 51078 1 104 978 TYR . 51078 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 51078 1 . GLY 2 2 51078 1 . SER 3 3 51078 1 . SER 4 4 51078 1 . HIS 5 5 51078 1 . HIS 6 6 51078 1 . HIS 7 7 51078 1 . HIS 8 8 51078 1 . HIS 9 9 51078 1 . HIS 10 10 51078 1 . SER 11 11 51078 1 . GLU 12 12 51078 1 . PRO 13 13 51078 1 . VAL 14 14 51078 1 . ALA 15 15 51078 1 . GLY 16 16 51078 1 . ALA 17 17 51078 1 . GLN 18 18 51078 1 . THR 19 19 51078 1 . ASP 20 20 51078 1 . ARG 21 21 51078 1 . ALA 22 22 51078 1 . LYS 23 23 51078 1 . LEU 24 24 51078 1 . PHE 25 25 51078 1 . MET 26 26 51078 1 . VAL 27 27 51078 1 . ALA 28 28 51078 1 . VAL 29 29 51078 1 . LYS 30 30 51078 1 . GLN 31 31 51078 1 . GLU 32 32 51078 1 . LEU 33 33 51078 1 . SER 34 34 51078 1 . GLN 35 35 51078 1 . ALA 36 36 51078 1 . ASN 37 37 51078 1 . PHE 38 38 51078 1 . ALA 39 39 51078 1 . THR 40 40 51078 1 . PHE 41 41 51078 1 . THR 42 42 51078 1 . GLN 43 43 51078 1 . ALA 44 44 51078 1 . LEU 45 45 51078 1 . GLN 46 46 51078 1 . ASP 47 47 51078 1 . TYR 48 48 51078 1 . LYS 49 49 51078 1 . GLY 50 50 51078 1 . SER 51 51 51078 1 . ASP 52 52 51078 1 . ASP 53 53 51078 1 . PHE 54 54 51078 1 . ALA 55 55 51078 1 . ALA 56 56 51078 1 . LEU 57 57 51078 1 . ALA 58 58 51078 1 . ALA 59 59 51078 1 . CYS 60 60 51078 1 . LEU 61 61 51078 1 . GLY 62 62 51078 1 . PRO 63 63 51078 1 . LEU 64 64 51078 1 . PHE 65 65 51078 1 . ALA 66 66 51078 1 . GLU 67 67 51078 1 . ASP 68 68 51078 1 . PRO 69 69 51078 1 . LYS 70 70 51078 1 . LYS 71 71 51078 1 . HIS 72 72 51078 1 . ASN 73 73 51078 1 . LEU 74 74 51078 1 . LEU 75 75 51078 1 . GLN 76 76 51078 1 . GLY 77 77 51078 1 . PHE 78 78 51078 1 . TYR 79 79 51078 1 . GLN 80 80 51078 1 . PHE 81 81 51078 1 . VAL 82 82 51078 1 . ARG 83 83 51078 1 . PRO 84 84 51078 1 . HIS 85 85 51078 1 . HIS 86 86 51078 1 . LYS 87 87 51078 1 . GLN 88 88 51078 1 . GLN 89 89 51078 1 . PHE 90 90 51078 1 . GLU 91 91 51078 1 . GLU 92 92 51078 1 . VAL 93 93 51078 1 . CYS 94 94 51078 1 . ILE 95 95 51078 1 . GLN 96 96 51078 1 . LEU 97 97 51078 1 . THR 98 98 51078 1 . GLY 99 99 51078 1 . ARG 100 100 51078 1 . GLY 101 101 51078 1 . CYS 102 102 51078 1 . GLY 103 103 51078 1 . TYR 104 104 51078 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 51078 _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 . . . . . . . . . . . RTEL1 . 51078 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 51078 _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) Rosetta' . . plasmid . . pET28a . . . 51078 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51078 _Sample.ID 1 _Sample.Name '13C 15N labelled RTEL1_HHD1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RTEL1_HHD1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.7 . . mM . . . . 51078 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51078 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51078 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51078 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 51078 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 51078 _Sample_condition_list.ID 1 _Sample_condition_list.Name Sample_conditions_1 _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' 0.05 . M 51078 1 pH 6.5 . pH 51078 1 pressure 1 . atm 51078 1 temperature 298 . K 51078 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51078 _Software.ID 1 _Software.Type . _Software.Name VNMRj _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51078 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51078 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51078 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51078 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51078 3 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 51078 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Agilent DRX 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DRX _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 51078 _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 . . . . . . . . . . . . . . . . . 51078 1 2 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51078 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51078 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51078 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51078 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51078 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51078 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51078 1 9 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51078 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 51078 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Chem_shift_reference_1 _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 0.25 . . . . . 51078 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 51078 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.1 . . . . . 51078 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 51078 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assigned_chemical_shift_1 _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' . . . 51078 1 2 '3D HCCH-TOCSY' . . . 51078 1 3 '3D CBCA(CO)NH' . . . 51078 1 4 '3D HNCACB' . . . 51078 1 5 '3D HNCO' . . . 51078 1 6 '3D HN(CA)CO' . . . 51078 1 7 '3D HBHA(CO)NH' . . . 51078 1 8 '3D H(CCO)NH' . . . 51078 1 9 '3D C(CO)NH' . . . 51078 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 . . 51078 1 2 $software_2 . . 51078 1 3 $software_3 . . 51078 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 12 12 GLU H H 1 8.403 0.002 . 1 . . . . . 886 GLU H . 51078 1 2 . 1 . 1 12 12 GLU CA C 13 54.485 0.000 . 1 . . . . . 886 GLU CA . 51078 1 3 . 1 . 1 12 12 GLU CB C 13 29.825 0.000 . 1 . . . . . 886 GLU CB . 51078 1 4 . 1 . 1 12 12 GLU N N 15 124.124 0.019 . 1 . . . . . 886 GLU N . 51078 1 5 . 1 . 1 13 13 PRO HA H 1 4.406 0.009 . 1 . . . . . 887 PRO HA . 51078 1 6 . 1 . 1 13 13 PRO HB2 H 1 2.220 0.000 . 2 . . . . . 887 PRO HB2 . 51078 1 7 . 1 . 1 13 13 PRO HB3 H 1 1.867 0.000 . 2 . . . . . 887 PRO HB3 . 51078 1 8 . 1 . 1 13 13 PRO HD2 H 1 3.727 0.000 . 2 . . . . . 887 PRO HD2 . 51078 1 9 . 1 . 1 13 13 PRO HD3 H 1 3.727 0.000 . 2 . . . . . 887 PRO HD3 . 51078 1 10 . 1 . 1 13 13 PRO CA C 13 63.099 0.015 . 1 . . . . . 887 PRO CA . 51078 1 11 . 1 . 1 13 13 PRO CB C 13 32.052 0.016 . 1 . . . . . 887 PRO CB . 51078 1 12 . 1 . 1 13 13 PRO CG C 13 27.469 0.000 . 1 . . . . . 887 PRO CG . 51078 1 13 . 1 . 1 13 13 PRO CD C 13 50.710 0.000 . 1 . . . . . 887 PRO CD . 51078 1 14 . 1 . 1 14 14 VAL H H 1 8.224 0.001 . 1 . . . . . 888 VAL H . 51078 1 15 . 1 . 1 14 14 VAL HA H 1 4.024 0.007 . 1 . . . . . 888 VAL HA . 51078 1 16 . 1 . 1 14 14 VAL HB H 1 2.036 0.000 . 1 . . . . . 888 VAL HB . 51078 1 17 . 1 . 1 14 14 VAL HG11 H 1 0.907 0.009 . 2 . . . . . 888 VAL HG1 . 51078 1 18 . 1 . 1 14 14 VAL HG12 H 1 0.907 0.009 . 2 . . . . . 888 VAL HG1 . 51078 1 19 . 1 . 1 14 14 VAL HG13 H 1 0.907 0.009 . 2 . . . . . 888 VAL HG1 . 51078 1 20 . 1 . 1 14 14 VAL HG21 H 1 0.907 0.009 . 2 . . . . . 888 VAL HG2 . 51078 1 21 . 1 . 1 14 14 VAL HG22 H 1 0.907 0.009 . 2 . . . . . 888 VAL HG2 . 51078 1 22 . 1 . 1 14 14 VAL HG23 H 1 0.907 0.009 . 2 . . . . . 888 VAL HG2 . 51078 1 23 . 1 . 1 14 14 VAL C C 13 176.127 0.000 . 1 . . . . . 888 VAL C . 51078 1 24 . 1 . 1 14 14 VAL CA C 13 62.335 0.105 . 1 . . . . . 888 VAL CA . 51078 1 25 . 1 . 1 14 14 VAL CB C 13 32.808 0.134 . 1 . . . . . 888 VAL CB . 51078 1 26 . 1 . 1 14 14 VAL CG1 C 13 20.704 0.000 . 2 . . . . . 888 VAL CG1 . 51078 1 27 . 1 . 1 14 14 VAL CG2 C 13 20.704 0.000 . 2 . . . . . 888 VAL CG2 . 51078 1 28 . 1 . 1 14 14 VAL N N 15 120.714 0.023 . 1 . . . . . 888 VAL N . 51078 1 29 . 1 . 1 15 15 ALA H H 1 8.439 0.003 . 1 . . . . . 889 ALA H . 51078 1 30 . 1 . 1 15 15 ALA HA H 1 4.268 0.003 . 1 . . . . . 889 ALA HA . 51078 1 31 . 1 . 1 15 15 ALA HB1 H 1 1.329 0.000 . 1 . . . . . 889 ALA HB . 51078 1 32 . 1 . 1 15 15 ALA HB2 H 1 1.329 0.000 . 1 . . . . . 889 ALA HB . 51078 1 33 . 1 . 1 15 15 ALA HB3 H 1 1.329 0.000 . 1 . . . . . 889 ALA HB . 51078 1 34 . 1 . 1 15 15 ALA C C 13 178.168 0.000 . 1 . . . . . 889 ALA C . 51078 1 35 . 1 . 1 15 15 ALA CA C 13 52.682 0.066 . 1 . . . . . 889 ALA CA . 51078 1 36 . 1 . 1 15 15 ALA CB C 13 19.189 0.073 . 1 . . . . . 889 ALA CB . 51078 1 37 . 1 . 1 15 15 ALA N N 15 128.152 0.025 . 1 . . . . . 889 ALA N . 51078 1 38 . 1 . 1 16 16 GLY H H 1 8.389 0.003 . 1 . . . . . 890 GLY H . 51078 1 39 . 1 . 1 16 16 GLY HA2 H 1 3.920 0.000 . 2 . . . . . 890 GLY HA2 . 51078 1 40 . 1 . 1 16 16 GLY HA3 H 1 3.920 0.000 . 2 . . . . . 890 GLY HA3 . 51078 1 41 . 1 . 1 16 16 GLY C C 13 174.040 0.000 . 1 . . . . . 890 GLY C . 51078 1 42 . 1 . 1 16 16 GLY CA C 13 45.287 0.108 . 1 . . . . . 890 GLY CA . 51078 1 43 . 1 . 1 16 16 GLY N N 15 108.589 0.016 . 1 . . . . . 890 GLY N . 51078 1 44 . 1 . 1 17 17 ALA H H 1 8.177 0.004 . 1 . . . . . 891 ALA H . 51078 1 45 . 1 . 1 17 17 ALA HA H 1 4.275 0.000 . 1 . . . . . 891 ALA HA . 51078 1 46 . 1 . 1 17 17 ALA HB1 H 1 1.392 0.007 . 1 . . . . . 891 ALA HB . 51078 1 47 . 1 . 1 17 17 ALA HB2 H 1 1.392 0.007 . 1 . . . . . 891 ALA HB . 51078 1 48 . 1 . 1 17 17 ALA HB3 H 1 1.392 0.007 . 1 . . . . . 891 ALA HB . 51078 1 49 . 1 . 1 17 17 ALA C C 13 178.012 0.000 . 1 . . . . . 891 ALA C . 51078 1 50 . 1 . 1 17 17 ALA CA C 13 52.818 0.029 . 1 . . . . . 891 ALA CA . 51078 1 51 . 1 . 1 17 17 ALA CB C 13 19.335 0.074 . 1 . . . . . 891 ALA CB . 51078 1 52 . 1 . 1 17 17 ALA N N 15 123.523 0.140 . 1 . . . . . 891 ALA N . 51078 1 53 . 1 . 1 18 18 GLN H H 1 8.500 0.004 . 1 . . . . . 892 GLN H . 51078 1 54 . 1 . 1 18 18 GLN HA H 1 4.348 0.000 . 1 . . . . . 892 GLN HA . 51078 1 55 . 1 . 1 18 18 GLN HB2 H 1 2.060 0.000 . 2 . . . . . 892 GLN HB2 . 51078 1 56 . 1 . 1 18 18 GLN HB3 H 1 2.060 0.000 . 2 . . . . . 892 GLN HB3 . 51078 1 57 . 1 . 1 18 18 GLN HG2 H 1 2.383 0.000 . 2 . . . . . 892 GLN HG2 . 51078 1 58 . 1 . 1 18 18 GLN HG3 H 1 2.383 0.000 . 2 . . . . . 892 GLN HG3 . 51078 1 59 . 1 . 1 18 18 GLN HE21 H 1 7.540 0.000 . 2 . . . . . 892 GLN HE21 . 51078 1 60 . 1 . 1 18 18 GLN HE22 H 1 6.851 0.003 . 2 . . . . . 892 GLN HE22 . 51078 1 61 . 1 . 1 18 18 GLN C C 13 176.564 0.000 . 1 . . . . . 892 GLN C . 51078 1 62 . 1 . 1 18 18 GLN CA C 13 56.322 0.038 . 1 . . . . . 892 GLN CA . 51078 1 63 . 1 . 1 18 18 GLN CB C 13 29.379 0.093 . 1 . . . . . 892 GLN CB . 51078 1 64 . 1 . 1 18 18 GLN CG C 13 33.894 0.034 . 1 . . . . . 892 GLN CG . 51078 1 65 . 1 . 1 18 18 GLN N N 15 119.292 0.034 . 1 . . . . . 892 GLN N . 51078 1 66 . 1 . 1 18 18 GLN NE2 N 15 111.968 0.114 . 1 . . . . . 892 GLN NE2 . 51078 1 67 . 1 . 1 19 19 THR H H 1 8.076 0.007 . 1 . . . . . 893 THR H . 51078 1 68 . 1 . 1 19 19 THR HA H 1 4.235 0.019 . 1 . . . . . 893 THR HA . 51078 1 69 . 1 . 1 19 19 THR HB H 1 4.318 0.000 . 1 . . . . . 893 THR HB . 51078 1 70 . 1 . 1 19 19 THR HG21 H 1 1.225 0.000 . 1 . . . . . 893 THR HG1 . 51078 1 71 . 1 . 1 19 19 THR HG22 H 1 1.225 0.000 . 1 . . . . . 893 THR HG1 . 51078 1 72 . 1 . 1 19 19 THR HG23 H 1 1.225 0.000 . 1 . . . . . 893 THR HG1 . 51078 1 73 . 1 . 1 19 19 THR C C 13 174.760 0.000 . 1 . . . . . 893 THR C . 51078 1 74 . 1 . 1 19 19 THR CA C 13 62.553 0.029 . 1 . . . . . 893 THR CA . 51078 1 75 . 1 . 1 19 19 THR CB C 13 69.896 0.079 . 1 . . . . . 893 THR CB . 51078 1 76 . 1 . 1 19 19 THR CG2 C 13 21.515 0.000 . 1 . . . . . 893 THR CG2 . 51078 1 77 . 1 . 1 19 19 THR N N 15 114.786 0.043 . 1 . . . . . 893 THR N . 51078 1 78 . 1 . 1 20 20 ASP H H 1 8.429 0.005 . 1 . . . . . 894 ASP H . 51078 1 79 . 1 . 1 20 20 ASP HA H 1 4.568 0.000 . 1 . . . . . 894 ASP HA . 51078 1 80 . 1 . 1 20 20 ASP HB2 H 1 2.776 0.000 . 2 . . . . . 894 ASP HB2 . 51078 1 81 . 1 . 1 20 20 ASP HB3 H 1 2.694 0.000 . 2 . . . . . 894 ASP HB3 . 51078 1 82 . 1 . 1 20 20 ASP C C 13 177.204 0.000 . 1 . . . . . 894 ASP C . 51078 1 83 . 1 . 1 20 20 ASP CA C 13 55.546 0.038 . 1 . . . . . 894 ASP CA . 51078 1 84 . 1 . 1 20 20 ASP CB C 13 40.723 0.094 . 1 . . . . . 894 ASP CB . 51078 1 85 . 1 . 1 20 20 ASP N N 15 123.043 0.052 . 1 . . . . . 894 ASP N . 51078 1 86 . 1 . 1 21 21 ARG H H 1 8.363 0.004 . 1 . . . . . 895 ARG H . 51078 1 87 . 1 . 1 21 21 ARG HA H 1 4.039 0.000 . 1 . . . . . 895 ARG HA . 51078 1 88 . 1 . 1 21 21 ARG HB2 H 1 1.857 0.000 . 2 . . . . . 895 ARG HB2 . 51078 1 89 . 1 . 1 21 21 ARG HB3 H 1 1.857 0.000 . 2 . . . . . 895 ARG HB3 . 51078 1 90 . 1 . 1 21 21 ARG HG2 H 1 1.687 0.000 . 2 . . . . . 895 ARG HG2 . 51078 1 91 . 1 . 1 21 21 ARG HG3 H 1 1.687 0.000 . 2 . . . . . 895 ARG HG3 . 51078 1 92 . 1 . 1 21 21 ARG HD2 H 1 3.171 0.000 . 2 . . . . . 895 ARG HD2 . 51078 1 93 . 1 . 1 21 21 ARG HD3 H 1 3.171 0.000 . 2 . . . . . 895 ARG HD3 . 51078 1 94 . 1 . 1 21 21 ARG C C 13 178.843 0.000 . 1 . . . . . 895 ARG C . 51078 1 95 . 1 . 1 21 21 ARG CA C 13 59.285 0.081 . 1 . . . . . 895 ARG CA . 51078 1 96 . 1 . 1 21 21 ARG CB C 13 30.170 0.033 . 1 . . . . . 895 ARG CB . 51078 1 97 . 1 . 1 21 21 ARG CG C 13 27.659 0.000 . 1 . . . . . 895 ARG CG . 51078 1 98 . 1 . 1 21 21 ARG CD C 13 43.331 0.000 . 1 . . . . . 895 ARG CD . 51078 1 99 . 1 . 1 21 21 ARG N N 15 121.587 0.097 . 1 . . . . . 895 ARG N . 51078 1 100 . 1 . 1 22 22 ALA H H 1 8.225 0.005 . 1 . . . . . 896 ALA H . 51078 1 101 . 1 . 1 22 22 ALA HA H 1 4.110 0.000 . 1 . . . . . 896 ALA HA . 51078 1 102 . 1 . 1 22 22 ALA HB1 H 1 1.440 0.000 . 1 . . . . . 896 ALA HB . 51078 1 103 . 1 . 1 22 22 ALA HB2 H 1 1.440 0.000 . 1 . . . . . 896 ALA HB . 51078 1 104 . 1 . 1 22 22 ALA HB3 H 1 1.440 0.000 . 1 . . . . . 896 ALA HB . 51078 1 105 . 1 . 1 22 22 ALA C C 13 179.535 0.000 . 1 . . . . . 896 ALA C . 51078 1 106 . 1 . 1 22 22 ALA CA C 13 55.438 0.010 . 1 . . . . . 896 ALA CA . 51078 1 107 . 1 . 1 22 22 ALA CB C 13 18.574 0.072 . 1 . . . . . 896 ALA CB . 51078 1 108 . 1 . 1 22 22 ALA N N 15 124.041 0.111 . 1 . . . . . 896 ALA N . 51078 1 109 . 1 . 1 23 23 LYS H H 1 7.930 0.003 . 1 . . . . . 897 LYS H . 51078 1 110 . 1 . 1 23 23 LYS HA H 1 4.044 0.000 . 1 . . . . . 897 LYS HA . 51078 1 111 . 1 . 1 23 23 LYS HB2 H 1 1.949 0.000 . 2 . . . . . 897 LYS HB2 . 51078 1 112 . 1 . 1 23 23 LYS HB3 H 1 1.949 0.000 . 2 . . . . . 897 LYS HB3 . 51078 1 113 . 1 . 1 23 23 LYS HG2 H 1 1.449 0.000 . 2 . . . . . 897 LYS HG2 . 51078 1 114 . 1 . 1 23 23 LYS HG3 H 1 1.449 0.000 . 2 . . . . . 897 LYS HG3 . 51078 1 115 . 1 . 1 23 23 LYS HD2 H 1 1.678 0.000 . 2 . . . . . 897 LYS HD2 . 51078 1 116 . 1 . 1 23 23 LYS HD3 H 1 1.678 0.000 . 2 . . . . . 897 LYS HD3 . 51078 1 117 . 1 . 1 23 23 LYS HE2 H 1 2.969 0.000 . 2 . . . . . 897 LYS HE2 . 51078 1 118 . 1 . 1 23 23 LYS HE3 H 1 2.969 0.000 . 2 . . . . . 897 LYS HE3 . 51078 1 119 . 1 . 1 23 23 LYS C C 13 179.412 0.000 . 1 . . . . . 897 LYS C . 51078 1 120 . 1 . 1 23 23 LYS CA C 13 59.664 0.015 . 1 . . . . . 897 LYS CA . 51078 1 121 . 1 . 1 23 23 LYS CB C 13 32.610 0.097 . 1 . . . . . 897 LYS CB . 51078 1 122 . 1 . 1 23 23 LYS CG C 13 25.339 0.000 . 1 . . . . . 897 LYS CG . 51078 1 123 . 1 . 1 23 23 LYS CD C 13 29.565 0.000 . 1 . . . . . 897 LYS CD . 51078 1 124 . 1 . 1 23 23 LYS CE C 13 42.225 0.000 . 1 . . . . . 897 LYS CE . 51078 1 125 . 1 . 1 23 23 LYS N N 15 119.167 0.072 . 1 . . . . . 897 LYS N . 51078 1 126 . 1 . 1 24 24 LEU H H 1 8.060 0.001 . 1 . . . . . 898 LEU H . 51078 1 127 . 1 . 1 24 24 LEU HA H 1 4.076 0.006 . 1 . . . . . 898 LEU HA . 51078 1 128 . 1 . 1 24 24 LEU HB2 H 1 1.849 0.000 . 2 . . . . . 898 LEU HB2 . 51078 1 129 . 1 . 1 24 24 LEU HB3 H 1 1.606 0.000 . 2 . . . . . 898 LEU HB3 . 51078 1 130 . 1 . 1 24 24 LEU HD11 H 1 0.902 0.000 . 2 . . . . . 898 LEU HD1 . 51078 1 131 . 1 . 1 24 24 LEU HD12 H 1 0.902 0.000 . 2 . . . . . 898 LEU HD1 . 51078 1 132 . 1 . 1 24 24 LEU HD13 H 1 0.902 0.000 . 2 . . . . . 898 LEU HD1 . 51078 1 133 . 1 . 1 24 24 LEU HD21 H 1 0.902 0.000 . 2 . . . . . 898 LEU HD2 . 51078 1 134 . 1 . 1 24 24 LEU HD22 H 1 0.902 0.000 . 2 . . . . . 898 LEU HD2 . 51078 1 135 . 1 . 1 24 24 LEU HD23 H 1 0.902 0.000 . 2 . . . . . 898 LEU HD2 . 51078 1 136 . 1 . 1 24 24 LEU C C 13 179.865 0.000 . 1 . . . . . 898 LEU C . 51078 1 137 . 1 . 1 24 24 LEU CA C 13 57.753 0.029 . 1 . . . . . 898 LEU CA . 51078 1 138 . 1 . 1 24 24 LEU CB C 13 41.793 0.045 . 1 . . . . . 898 LEU CB . 51078 1 139 . 1 . 1 24 24 LEU CG C 13 27.175 0.000 . 1 . . . . . 898 LEU CG . 51078 1 140 . 1 . 1 24 24 LEU CD1 C 13 25.148 0.000 . 2 . . . . . 898 LEU CD1 . 51078 1 141 . 1 . 1 24 24 LEU CD2 C 13 22.958 0.000 . 2 . . . . . 898 LEU CD2 . 51078 1 142 . 1 . 1 24 24 LEU N N 15 118.544 0.059 . 1 . . . . . 898 LEU N . 51078 1 143 . 1 . 1 25 25 PHE H H 1 8.007 0.003 . 1 . . . . . 899 PHE H . 51078 1 144 . 1 . 1 25 25 PHE HA H 1 4.416 0.000 . 1 . . . . . 899 PHE HA . 51078 1 145 . 1 . 1 25 25 PHE HB2 H 1 3.312 0.000 . 2 . . . . . 899 PHE HB2 . 51078 1 146 . 1 . 1 25 25 PHE HB3 H 1 3.312 0.000 . 2 . . . . . 899 PHE HB3 . 51078 1 147 . 1 . 1 25 25 PHE C C 13 176.395 0.000 . 1 . . . . . 899 PHE C . 51078 1 148 . 1 . 1 25 25 PHE CA C 13 61.434 0.039 . 1 . . . . . 899 PHE CA . 51078 1 149 . 1 . 1 25 25 PHE CB C 13 39.369 0.053 . 1 . . . . . 899 PHE CB . 51078 1 150 . 1 . 1 25 25 PHE N N 15 121.486 0.019 . 1 . . . . . 899 PHE N . 51078 1 151 . 1 . 1 26 26 MET H H 1 8.230 0.001 . 1 . . . . . 900 MET H . 51078 1 152 . 1 . 1 26 26 MET HA H 1 4.339 0.000 . 1 . . . . . 900 MET HA . 51078 1 153 . 1 . 1 26 26 MET HB2 H 1 2.452 0.000 . 2 . . . . . 900 MET HB2 . 51078 1 154 . 1 . 1 26 26 MET HB3 H 1 2.240 0.000 . 2 . . . . . 900 MET HB3 . 51078 1 155 . 1 . 1 26 26 MET HG2 H 1 3.108 0.000 . 2 . . . . . 900 MET HG2 . 51078 1 156 . 1 . 1 26 26 MET HG3 H 1 2.977 0.000 . 2 . . . . . 900 MET HG3 . 51078 1 157 . 1 . 1 26 26 MET C C 13 179.328 0.000 . 1 . . . . . 900 MET C . 51078 1 158 . 1 . 1 26 26 MET CA C 13 57.179 0.023 . 1 . . . . . 900 MET CA . 51078 1 159 . 1 . 1 26 26 MET CB C 13 30.710 0.099 . 1 . . . . . 900 MET CB . 51078 1 160 . 1 . 1 26 26 MET CG C 13 32.950 0.000 . 1 . . . . . 900 MET CG . 51078 1 161 . 1 . 1 26 26 MET N N 15 116.748 0.028 . 1 . . . . . 900 MET N . 51078 1 162 . 1 . 1 27 27 VAL H H 1 7.826 0.001 . 1 . . . . . 901 VAL H . 51078 1 163 . 1 . 1 27 27 VAL HA H 1 3.500 0.000 . 1 . . . . . 901 VAL HA . 51078 1 164 . 1 . 1 27 27 VAL HB H 1 2.105 0.000 . 1 . . . . . 901 VAL HB . 51078 1 165 . 1 . 1 27 27 VAL HG11 H 1 1.088 0.000 . 2 . . . . . 901 VAL HG1 . 51078 1 166 . 1 . 1 27 27 VAL HG12 H 1 1.088 0.000 . 2 . . . . . 901 VAL HG1 . 51078 1 167 . 1 . 1 27 27 VAL HG13 H 1 1.088 0.000 . 2 . . . . . 901 VAL HG1 . 51078 1 168 . 1 . 1 27 27 VAL HG21 H 1 0.938 0.000 . 2 . . . . . 901 VAL HG2 . 51078 1 169 . 1 . 1 27 27 VAL HG22 H 1 0.938 0.000 . 2 . . . . . 901 VAL HG2 . 51078 1 170 . 1 . 1 27 27 VAL HG23 H 1 0.938 0.000 . 2 . . . . . 901 VAL HG2 . 51078 1 171 . 1 . 1 27 27 VAL C C 13 177.784 0.000 . 1 . . . . . 901 VAL C . 51078 1 172 . 1 . 1 27 27 VAL CA C 13 66.533 0.011 . 1 . . . . . 901 VAL CA . 51078 1 173 . 1 . 1 27 27 VAL CB C 13 32.007 0.083 . 1 . . . . . 901 VAL CB . 51078 1 174 . 1 . 1 27 27 VAL CG1 C 13 22.650 0.000 . 2 . . . . . 901 VAL CG1 . 51078 1 175 . 1 . 1 27 27 VAL CG2 C 13 20.865 0.000 . 2 . . . . . 901 VAL CG2 . 51078 1 176 . 1 . 1 27 27 VAL N N 15 119.566 0.027 . 1 . . . . . 901 VAL N . 51078 1 177 . 1 . 1 28 28 ALA H H 1 7.516 0.002 . 1 . . . . . 902 ALA H . 51078 1 178 . 1 . 1 28 28 ALA HA H 1 4.037 0.000 . 1 . . . . . 902 ALA HA . 51078 1 179 . 1 . 1 28 28 ALA HB1 H 1 1.418 0.007 . 1 . . . . . 902 ALA HB . 51078 1 180 . 1 . 1 28 28 ALA HB2 H 1 1.418 0.007 . 1 . . . . . 902 ALA HB . 51078 1 181 . 1 . 1 28 28 ALA HB3 H 1 1.418 0.007 . 1 . . . . . 902 ALA HB . 51078 1 182 . 1 . 1 28 28 ALA C C 13 180.596 0.000 . 1 . . . . . 902 ALA C . 51078 1 183 . 1 . 1 28 28 ALA CA C 13 55.166 0.012 . 1 . . . . . 902 ALA CA . 51078 1 184 . 1 . 1 28 28 ALA CB C 13 17.906 0.088 . 1 . . . . . 902 ALA CB . 51078 1 185 . 1 . 1 28 28 ALA N N 15 123.260 0.014 . 1 . . . . . 902 ALA N . 51078 1 186 . 1 . 1 29 29 VAL H H 1 8.315 0.001 . 1 . . . . . 903 VAL H . 51078 1 187 . 1 . 1 29 29 VAL HA H 1 3.317 0.000 . 1 . . . . . 903 VAL HA . 51078 1 188 . 1 . 1 29 29 VAL HB H 1 1.746 0.000 . 1 . . . . . 903 VAL HB . 51078 1 189 . 1 . 1 29 29 VAL HG11 H 1 0.576 0.002 . 2 . . . . . 903 VAL HG1 . 51078 1 190 . 1 . 1 29 29 VAL HG12 H 1 0.576 0.002 . 2 . . . . . 903 VAL HG1 . 51078 1 191 . 1 . 1 29 29 VAL HG13 H 1 0.576 0.002 . 2 . . . . . 903 VAL HG1 . 51078 1 192 . 1 . 1 29 29 VAL HG21 H 1 0.386 0.001 . 2 . . . . . 903 VAL HG2 . 51078 1 193 . 1 . 1 29 29 VAL HG22 H 1 0.386 0.001 . 2 . . . . . 903 VAL HG2 . 51078 1 194 . 1 . 1 29 29 VAL HG23 H 1 0.386 0.001 . 2 . . . . . 903 VAL HG2 . 51078 1 195 . 1 . 1 29 29 VAL C C 13 177.222 0.000 . 1 . . . . . 903 VAL C . 51078 1 196 . 1 . 1 29 29 VAL CA C 13 66.302 0.135 . 1 . . . . . 903 VAL CA . 51078 1 197 . 1 . 1 29 29 VAL CB C 13 31.481 0.093 . 1 . . . . . 903 VAL CB . 51078 1 198 . 1 . 1 29 29 VAL CG1 C 13 22.863 0.149 . 2 . . . . . 903 VAL CG1 . 51078 1 199 . 1 . 1 29 29 VAL CG2 C 13 23.160 0.148 . 2 . . . . . 903 VAL CG2 . 51078 1 200 . 1 . 1 29 29 VAL N N 15 117.566 0.014 . 1 . . . . . 903 VAL N . 51078 1 201 . 1 . 1 30 30 LYS H H 1 7.688 0.005 . 1 . . . . . 904 LYS H . 51078 1 202 . 1 . 1 30 30 LYS HA H 1 3.219 0.000 . 1 . . . . . 904 LYS HA . 51078 1 203 . 1 . 1 30 30 LYS HB2 H 1 1.548 0.000 . 2 . . . . . 904 LYS HB2 . 51078 1 204 . 1 . 1 30 30 LYS HB3 H 1 1.206 0.000 . 2 . . . . . 904 LYS HB3 . 51078 1 205 . 1 . 1 30 30 LYS HG2 H 1 0.904 0.000 . 2 . . . . . 904 LYS HG2 . 51078 1 206 . 1 . 1 30 30 LYS HG3 H 1 0.268 0.000 . 2 . . . . . 904 LYS HG3 . 51078 1 207 . 1 . 1 30 30 LYS HD2 H 1 1.245 0.000 . 2 . . . . . 904 LYS HD2 . 51078 1 208 . 1 . 1 30 30 LYS HD3 H 1 1.192 0.000 . 2 . . . . . 904 LYS HD3 . 51078 1 209 . 1 . 1 30 30 LYS HE2 H 1 2.706 0.000 . 2 . . . . . 904 LYS HE2 . 51078 1 210 . 1 . 1 30 30 LYS HE3 H 1 2.706 0.000 . 2 . . . . . 904 LYS HE3 . 51078 1 211 . 1 . 1 30 30 LYS C C 13 177.951 0.000 . 1 . . . . . 904 LYS C . 51078 1 212 . 1 . 1 30 30 LYS CA C 13 58.579 0.051 . 1 . . . . . 904 LYS CA . 51078 1 213 . 1 . 1 30 30 LYS CB C 13 32.330 0.049 . 1 . . . . . 904 LYS CB . 51078 1 214 . 1 . 1 30 30 LYS CG C 13 24.480 0.000 . 1 . . . . . 904 LYS CG . 51078 1 215 . 1 . 1 30 30 LYS CD C 13 29.290 0.000 . 1 . . . . . 904 LYS CD . 51078 1 216 . 1 . 1 30 30 LYS CE C 13 42.267 0.000 . 1 . . . . . 904 LYS CE . 51078 1 217 . 1 . 1 30 30 LYS N N 15 120.246 0.030 . 1 . . . . . 904 LYS N . 51078 1 218 . 1 . 1 31 31 GLN H H 1 7.443 0.002 . 1 . . . . . 905 GLN H . 51078 1 219 . 1 . 1 31 31 GLN HA H 1 4.004 0.000 . 1 . . . . . 905 GLN HA . 51078 1 220 . 1 . 1 31 31 GLN HB2 H 1 2.056 0.000 . 2 . . . . . 905 GLN HB2 . 51078 1 221 . 1 . 1 31 31 GLN HB3 H 1 2.056 0.000 . 2 . . . . . 905 GLN HB3 . 51078 1 222 . 1 . 1 31 31 GLN HG2 H 1 2.388 0.000 . 2 . . . . . 905 GLN HG2 . 51078 1 223 . 1 . 1 31 31 GLN HG3 H 1 2.388 0.000 . 2 . . . . . 905 GLN HG3 . 51078 1 224 . 1 . 1 31 31 GLN HE21 H 1 7.400 0.000 . 2 . . . . . 905 GLN HE21 . 51078 1 225 . 1 . 1 31 31 GLN HE22 H 1 6.768 0.000 . 2 . . . . . 905 GLN HE22 . 51078 1 226 . 1 . 1 31 31 GLN C C 13 177.192 0.000 . 1 . . . . . 905 GLN C . 51078 1 227 . 1 . 1 31 31 GLN CA C 13 57.456 0.056 . 1 . . . . . 905 GLN CA . 51078 1 228 . 1 . 1 31 31 GLN CB C 13 29.032 0.055 . 1 . . . . . 905 GLN CB . 51078 1 229 . 1 . 1 31 31 GLN CG C 13 34.100 0.036 . 1 . . . . . 905 GLN CG . 51078 1 230 . 1 . 1 31 31 GLN N N 15 114.184 0.017 . 1 . . . . . 905 GLN N . 51078 1 231 . 1 . 1 31 31 GLN NE2 N 15 111.328 0.035 . 1 . . . . . 905 GLN NE2 . 51078 1 232 . 1 . 1 32 32 GLU H H 1 7.531 0.002 . 1 . . . . . 906 GLU H . 51078 1 233 . 1 . 1 32 32 GLU HA H 1 4.343 0.000 . 1 . . . . . 906 GLU HA . 51078 1 234 . 1 . 1 32 32 GLU HB2 H 1 1.933 0.000 . 2 . . . . . 906 GLU HB2 . 51078 1 235 . 1 . 1 32 32 GLU HB3 H 1 1.739 0.000 . 2 . . . . . 906 GLU HB3 . 51078 1 236 . 1 . 1 32 32 GLU HG2 H 1 2.239 0.000 . 2 . . . . . 906 GLU HG2 . 51078 1 237 . 1 . 1 32 32 GLU HG3 H 1 2.239 0.000 . 2 . . . . . 906 GLU HG3 . 51078 1 238 . 1 . 1 32 32 GLU C C 13 176.602 0.000 . 1 . . . . . 906 GLU C . 51078 1 239 . 1 . 1 32 32 GLU CA C 13 56.726 0.063 . 1 . . . . . 906 GLU CA . 51078 1 240 . 1 . 1 32 32 GLU CB C 13 31.606 0.032 . 1 . . . . . 906 GLU CB . 51078 1 241 . 1 . 1 32 32 GLU CG C 13 35.612 0.000 . 1 . . . . . 906 GLU CG . 51078 1 242 . 1 . 1 32 32 GLU N N 15 116.487 0.015 . 1 . . . . . 906 GLU N . 51078 1 243 . 1 . 1 33 33 LEU H H 1 7.704 0.006 . 1 . . . . . 907 LEU H . 51078 1 244 . 1 . 1 33 33 LEU HA H 1 4.740 0.000 . 1 . . . . . 907 LEU HA . 51078 1 245 . 1 . 1 33 33 LEU HB2 H 1 1.551 0.000 . 2 . . . . . 907 LEU HB2 . 51078 1 246 . 1 . 1 33 33 LEU HB3 H 1 1.551 0.000 . 2 . . . . . 907 LEU HB3 . 51078 1 247 . 1 . 1 33 33 LEU HG H 1 1.790 0.000 . 1 . . . . . 907 LEU HG . 51078 1 248 . 1 . 1 33 33 LEU HD11 H 1 0.625 0.000 . 2 . . . . . 907 LEU HD1 . 51078 1 249 . 1 . 1 33 33 LEU HD12 H 1 0.625 0.000 . 2 . . . . . 907 LEU HD1 . 51078 1 250 . 1 . 1 33 33 LEU HD13 H 1 0.625 0.000 . 2 . . . . . 907 LEU HD1 . 51078 1 251 . 1 . 1 33 33 LEU HD21 H 1 0.625 0.000 . 2 . . . . . 907 LEU HD2 . 51078 1 252 . 1 . 1 33 33 LEU HD22 H 1 0.625 0.000 . 2 . . . . . 907 LEU HD2 . 51078 1 253 . 1 . 1 33 33 LEU HD23 H 1 0.625 0.000 . 2 . . . . . 907 LEU HD2 . 51078 1 254 . 1 . 1 33 33 LEU C C 13 177.690 0.000 . 1 . . . . . 907 LEU C . 51078 1 255 . 1 . 1 33 33 LEU CA C 13 53.872 0.001 . 1 . . . . . 907 LEU CA . 51078 1 256 . 1 . 1 33 33 LEU CB C 13 44.102 0.036 . 1 . . . . . 907 LEU CB . 51078 1 257 . 1 . 1 33 33 LEU CG C 13 25.808 0.000 . 1 . . . . . 907 LEU CG . 51078 1 258 . 1 . 1 33 33 LEU CD1 C 13 22.631 0.000 . 2 . . . . . 907 LEU CD1 . 51078 1 259 . 1 . 1 33 33 LEU CD2 C 13 22.631 0.000 . 2 . . . . . 907 LEU CD2 . 51078 1 260 . 1 . 1 33 33 LEU N N 15 118.055 0.019 . 1 . . . . . 907 LEU N . 51078 1 261 . 1 . 1 34 34 SER H H 1 8.670 0.014 . 1 . . . . . 908 SER H . 51078 1 262 . 1 . 1 34 34 SER HA H 1 4.434 0.000 . 1 . . . . . 908 SER HA . 51078 1 263 . 1 . 1 34 34 SER HB2 H 1 4.046 0.000 . 2 . . . . . 908 SER HB2 . 51078 1 264 . 1 . 1 34 34 SER HB3 H 1 4.046 0.000 . 2 . . . . . 908 SER HB3 . 51078 1 265 . 1 . 1 34 34 SER C C 13 174.634 0.000 . 1 . . . . . 908 SER C . 51078 1 266 . 1 . 1 34 34 SER CA C 13 57.146 0.013 . 1 . . . . . 908 SER CA . 51078 1 267 . 1 . 1 34 34 SER CB C 13 64.661 0.012 . 1 . . . . . 908 SER CB . 51078 1 268 . 1 . 1 34 34 SER N N 15 116.506 0.030 . 1 . . . . . 908 SER N . 51078 1 269 . 1 . 1 35 35 GLN H H 1 9.097 0.001 . 1 . . . . . 909 GLN H . 51078 1 270 . 1 . 1 35 35 GLN HA H 1 4.058 0.000 . 1 . . . . . 909 GLN HA . 51078 1 271 . 1 . 1 35 35 GLN HB2 H 1 2.164 0.000 . 2 . . . . . 909 GLN HB2 . 51078 1 272 . 1 . 1 35 35 GLN HB3 H 1 2.164 0.000 . 2 . . . . . 909 GLN HB3 . 51078 1 273 . 1 . 1 35 35 GLN HG2 H 1 2.496 0.000 . 2 . . . . . 909 GLN HG2 . 51078 1 274 . 1 . 1 35 35 GLN HG3 H 1 2.496 0.000 . 2 . . . . . 909 GLN HG3 . 51078 1 275 . 1 . 1 35 35 GLN C C 13 179.216 0.000 . 1 . . . . . 909 GLN C . 51078 1 276 . 1 . 1 35 35 GLN CA C 13 60.236 0.012 . 1 . . . . . 909 GLN CA . 51078 1 277 . 1 . 1 35 35 GLN CB C 13 28.256 0.053 . 1 . . . . . 909 GLN CB . 51078 1 278 . 1 . 1 35 35 GLN CG C 13 34.046 0.000 . 1 . . . . . 909 GLN CG . 51078 1 279 . 1 . 1 35 35 GLN N N 15 122.206 0.020 . 1 . . . . . 909 GLN N . 51078 1 280 . 1 . 1 36 36 ALA H H 1 8.733 0.001 . 1 . . . . . 910 ALA H . 51078 1 281 . 1 . 1 36 36 ALA HA H 1 4.180 0.000 . 1 . . . . . 910 ALA HA . 51078 1 282 . 1 . 1 36 36 ALA HB1 H 1 1.318 0.000 . 1 . . . . . 910 ALA HB . 51078 1 283 . 1 . 1 36 36 ALA HB2 H 1 1.318 0.000 . 1 . . . . . 910 ALA HB . 51078 1 284 . 1 . 1 36 36 ALA HB3 H 1 1.318 0.000 . 1 . . . . . 910 ALA HB . 51078 1 285 . 1 . 1 36 36 ALA C C 13 180.378 0.000 . 1 . . . . . 910 ALA C . 51078 1 286 . 1 . 1 36 36 ALA CA C 13 55.082 0.037 . 1 . . . . . 910 ALA CA . 51078 1 287 . 1 . 1 36 36 ALA CB C 13 18.435 0.092 . 1 . . . . . 910 ALA CB . 51078 1 288 . 1 . 1 36 36 ALA N N 15 120.995 0.012 . 1 . . . . . 910 ALA N . 51078 1 289 . 1 . 1 37 37 ASN H H 1 7.844 0.001 . 1 . . . . . 911 ASN H . 51078 1 290 . 1 . 1 37 37 ASN HA H 1 4.571 0.000 . 1 . . . . . 911 ASN HA . 51078 1 291 . 1 . 1 37 37 ASN HB2 H 1 2.948 0.000 . 2 . . . . . 911 ASN HB2 . 51078 1 292 . 1 . 1 37 37 ASN HB3 H 1 2.476 0.000 . 2 . . . . . 911 ASN HB3 . 51078 1 293 . 1 . 1 37 37 ASN HD22 H 1 7.156 0.000 . 2 . . . . . 911 ASN HD22 . 51078 1 294 . 1 . 1 37 37 ASN C C 13 177.219 0.000 . 1 . . . . . 911 ASN C . 51078 1 295 . 1 . 1 37 37 ASN CA C 13 55.131 0.031 . 1 . . . . . 911 ASN CA . 51078 1 296 . 1 . 1 37 37 ASN CB C 13 37.585 0.041 . 1 . . . . . 911 ASN CB . 51078 1 297 . 1 . 1 37 37 ASN N N 15 116.902 0.013 . 1 . . . . . 911 ASN N . 51078 1 298 . 1 . 1 37 37 ASN ND2 N 15 113.236 0.000 . 1 . . . . . 911 ASN ND2 . 51078 1 299 . 1 . 1 38 38 PHE H H 1 9.380 0.001 . 1 . . . . . 912 PHE H . 51078 1 300 . 1 . 1 38 38 PHE HA H 1 4.171 0.000 . 1 . . . . . 912 PHE HA . 51078 1 301 . 1 . 1 38 38 PHE HB2 H 1 3.130 0.000 . 2 . . . . . 912 PHE HB2 . 51078 1 302 . 1 . 1 38 38 PHE HB3 H 1 3.130 0.000 . 2 . . . . . 912 PHE HB3 . 51078 1 303 . 1 . 1 38 38 PHE C C 13 177.568 0.000 . 1 . . . . . 912 PHE C . 51078 1 304 . 1 . 1 38 38 PHE CA C 13 62.171 0.026 . 1 . . . . . 912 PHE CA . 51078 1 305 . 1 . 1 38 38 PHE CB C 13 39.325 0.055 . 1 . . . . . 912 PHE CB . 51078 1 306 . 1 . 1 38 38 PHE N N 15 123.773 0.016 . 1 . . . . . 912 PHE N . 51078 1 307 . 1 . 1 39 39 ALA H H 1 8.019 0.002 . 1 . . . . . 913 ALA H . 51078 1 308 . 1 . 1 39 39 ALA HA H 1 4.077 0.000 . 1 . . . . . 913 ALA HA . 51078 1 309 . 1 . 1 39 39 ALA HB1 H 1 1.515 0.000 . 1 . . . . . 913 ALA HB . 51078 1 310 . 1 . 1 39 39 ALA HB2 H 1 1.515 0.000 . 1 . . . . . 913 ALA HB . 51078 1 311 . 1 . 1 39 39 ALA HB3 H 1 1.515 0.000 . 1 . . . . . 913 ALA HB . 51078 1 312 . 1 . 1 39 39 ALA C C 13 180.349 0.000 . 1 . . . . . 913 ALA C . 51078 1 313 . 1 . 1 39 39 ALA CA C 13 55.421 0.023 . 1 . . . . . 913 ALA CA . 51078 1 314 . 1 . 1 39 39 ALA CB C 13 17.501 0.095 . 1 . . . . . 913 ALA CB . 51078 1 315 . 1 . 1 39 39 ALA N N 15 123.800 0.024 . 1 . . . . . 913 ALA N . 51078 1 316 . 1 . 1 40 40 THR H H 1 7.935 0.001 . 1 . . . . . 914 THR H . 51078 1 317 . 1 . 1 40 40 THR HA H 1 3.815 0.000 . 1 . . . . . 914 THR HA . 51078 1 318 . 1 . 1 40 40 THR HB H 1 4.300 0.000 . 1 . . . . . 914 THR HB . 51078 1 319 . 1 . 1 40 40 THR HG21 H 1 1.162 0.000 . 1 . . . . . 914 THR HG2 . 51078 1 320 . 1 . 1 40 40 THR HG22 H 1 1.162 0.000 . 1 . . . . . 914 THR HG2 . 51078 1 321 . 1 . 1 40 40 THR HG23 H 1 1.162 0.000 . 1 . . . . . 914 THR HG2 . 51078 1 322 . 1 . 1 40 40 THR C C 13 176.117 0.000 . 1 . . . . . 914 THR C . 51078 1 323 . 1 . 1 40 40 THR CA C 13 66.578 0.051 . 1 . . . . . 914 THR CA . 51078 1 324 . 1 . 1 40 40 THR CB C 13 68.250 0.122 . 1 . . . . . 914 THR CB . 51078 1 325 . 1 . 1 40 40 THR CG2 C 13 21.934 0.000 . 1 . . . . . 914 THR CG2 . 51078 1 326 . 1 . 1 40 40 THR N N 15 117.442 0.012 . 1 . . . . . 914 THR N . 51078 1 327 . 1 . 1 41 41 PHE H H 1 8.467 0.002 . 1 . . . . . 915 PHE H . 51078 1 328 . 1 . 1 41 41 PHE HA H 1 3.832 0.000 . 1 . . . . . 915 PHE HA . 51078 1 329 . 1 . 1 41 41 PHE HB2 H 1 2.971 0.000 . 2 . . . . . 915 PHE HB2 . 51078 1 330 . 1 . 1 41 41 PHE HB3 H 1 2.971 0.000 . 2 . . . . . 915 PHE HB3 . 51078 1 331 . 1 . 1 41 41 PHE C C 13 175.352 0.000 . 1 . . . . . 915 PHE C . 51078 1 332 . 1 . 1 41 41 PHE CA C 13 61.295 0.009 . 1 . . . . . 915 PHE CA . 51078 1 333 . 1 . 1 41 41 PHE CB C 13 39.220 0.042 . 1 . . . . . 915 PHE CB . 51078 1 334 . 1 . 1 41 41 PHE N N 15 122.872 0.037 . 1 . . . . . 915 PHE N . 51078 1 335 . 1 . 1 42 42 THR H H 1 8.377 0.001 . 1 . . . . . 916 THR H . 51078 1 336 . 1 . 1 42 42 THR HA H 1 3.235 0.000 . 1 . . . . . 916 THR HA . 51078 1 337 . 1 . 1 42 42 THR HB H 1 3.956 0.000 . 1 . . . . . 916 THR HB . 51078 1 338 . 1 . 1 42 42 THR HG21 H 1 0.856 0.000 . 1 . . . . . 916 THR HG2 . 51078 1 339 . 1 . 1 42 42 THR HG22 H 1 0.856 0.000 . 1 . . . . . 916 THR HG2 . 51078 1 340 . 1 . 1 42 42 THR HG23 H 1 0.856 0.000 . 1 . . . . . 916 THR HG2 . 51078 1 341 . 1 . 1 42 42 THR C C 13 177.223 0.000 . 1 . . . . . 916 THR C . 51078 1 342 . 1 . 1 42 42 THR CA C 13 66.397 0.045 . 1 . . . . . 916 THR CA . 51078 1 343 . 1 . 1 42 42 THR CB C 13 68.422 0.091 . 1 . . . . . 916 THR CB . 51078 1 344 . 1 . 1 42 42 THR CG2 C 13 21.253 0.000 . 1 . . . . . 916 THR CG2 . 51078 1 345 . 1 . 1 42 42 THR N N 15 113.008 0.023 . 1 . . . . . 916 THR N . 51078 1 346 . 1 . 1 43 43 GLN H H 1 7.792 0.007 . 1 . . . . . 917 GLN H . 51078 1 347 . 1 . 1 43 43 GLN HA H 1 3.854 0.000 . 1 . . . . . 917 GLN HA . 51078 1 348 . 1 . 1 43 43 GLN HB2 H 1 2.047 0.000 . 2 . . . . . 917 GLN HB2 . 51078 1 349 . 1 . 1 43 43 GLN HB3 H 1 2.047 0.000 . 2 . . . . . 917 GLN HB3 . 51078 1 350 . 1 . 1 43 43 GLN HG2 H 1 2.322 0.000 . 2 . . . . . 917 GLN HG2 . 51078 1 351 . 1 . 1 43 43 GLN HG3 H 1 2.322 0.000 . 2 . . . . . 917 GLN HG3 . 51078 1 352 . 1 . 1 43 43 GLN HE21 H 1 7.801 0.002 . 2 . . . . . 917 GLN HE21 . 51078 1 353 . 1 . 1 43 43 GLN HE22 H 1 6.745 0.002 . 2 . . . . . 917 GLN HE22 . 51078 1 354 . 1 . 1 43 43 GLN C C 13 177.034 0.000 . 1 . . . . . 917 GLN C . 51078 1 355 . 1 . 1 43 43 GLN CA C 13 58.309 0.021 . 1 . . . . . 917 GLN CA . 51078 1 356 . 1 . 1 43 43 GLN CB C 13 28.348 0.083 . 1 . . . . . 917 GLN CB . 51078 1 357 . 1 . 1 43 43 GLN CG C 13 33.530 0.000 . 1 . . . . . 917 GLN CG . 51078 1 358 . 1 . 1 43 43 GLN N N 15 122.454 0.042 . 1 . . . . . 917 GLN N . 51078 1 359 . 1 . 1 43 43 GLN NE2 N 15 115.378 0.002 . 1 . . . . . 917 GLN NE2 . 51078 1 360 . 1 . 1 44 44 ALA H H 1 8.171 0.002 . 1 . . . . . 918 ALA H . 51078 1 361 . 1 . 1 44 44 ALA HA H 1 4.110 0.000 . 1 . . . . . 918 ALA HA . 51078 1 362 . 1 . 1 44 44 ALA HB1 H 1 1.358 0.000 . 1 . . . . . 918 ALA HB . 51078 1 363 . 1 . 1 44 44 ALA HB2 H 1 1.358 0.000 . 1 . . . . . 918 ALA HB . 51078 1 364 . 1 . 1 44 44 ALA HB3 H 1 1.358 0.000 . 1 . . . . . 918 ALA HB . 51078 1 365 . 1 . 1 44 44 ALA C C 13 181.278 0.000 . 1 . . . . . 918 ALA C . 51078 1 366 . 1 . 1 44 44 ALA CA C 13 54.947 0.041 . 1 . . . . . 918 ALA CA . 51078 1 367 . 1 . 1 44 44 ALA CB C 13 18.042 0.071 . 1 . . . . . 918 ALA CB . 51078 1 368 . 1 . 1 44 44 ALA N N 15 122.312 0.064 . 1 . . . . . 918 ALA N . 51078 1 369 . 1 . 1 45 45 LEU H H 1 7.972 0.001 . 1 . . . . . 919 LEU H . 51078 1 370 . 1 . 1 45 45 LEU HA H 1 3.937 0.000 . 1 . . . . . 919 LEU HA . 51078 1 371 . 1 . 1 45 45 LEU HB2 H 1 1.483 0.011 . 2 . . . . . 919 LEU HB2 . 51078 1 372 . 1 . 1 45 45 LEU HB3 H 1 1.090 0.003 . 2 . . . . . 919 LEU HB3 . 51078 1 373 . 1 . 1 45 45 LEU HD11 H 1 0.518 0.000 . 2 . . . . . 919 LEU HD1 . 51078 1 374 . 1 . 1 45 45 LEU HD12 H 1 0.518 0.000 . 2 . . . . . 919 LEU HD1 . 51078 1 375 . 1 . 1 45 45 LEU HD13 H 1 0.518 0.000 . 2 . . . . . 919 LEU HD1 . 51078 1 376 . 1 . 1 45 45 LEU HD21 H 1 0.518 0.000 . 2 . . . . . 919 LEU HD2 . 51078 1 377 . 1 . 1 45 45 LEU HD22 H 1 0.518 0.000 . 2 . . . . . 919 LEU HD2 . 51078 1 378 . 1 . 1 45 45 LEU HD23 H 1 0.518 0.000 . 2 . . . . . 919 LEU HD2 . 51078 1 379 . 1 . 1 45 45 LEU C C 13 178.538 0.000 . 1 . . . . . 919 LEU C . 51078 1 380 . 1 . 1 45 45 LEU CA C 13 58.135 0.026 . 1 . . . . . 919 LEU CA . 51078 1 381 . 1 . 1 45 45 LEU CB C 13 41.437 0.072 . 1 . . . . . 919 LEU CB . 51078 1 382 . 1 . 1 45 45 LEU CG C 13 27.218 0.000 . 1 . . . . . 919 LEU CG . 51078 1 383 . 1 . 1 45 45 LEU CD1 C 13 24.357 0.000 . 2 . . . . . 919 LEU CD1 . 51078 1 384 . 1 . 1 45 45 LEU CD2 C 13 23.355 0.000 . 2 . . . . . 919 LEU CD2 . 51078 1 385 . 1 . 1 45 45 LEU N N 15 119.856 0.023 . 1 . . . . . 919 LEU N . 51078 1 386 . 1 . 1 46 46 GLN H H 1 7.737 0.001 . 1 . . . . . 920 GLN H . 51078 1 387 . 1 . 1 46 46 GLN HA H 1 3.932 0.000 . 1 . . . . . 920 GLN HA . 51078 1 388 . 1 . 1 46 46 GLN HB2 H 1 2.138 0.000 . 2 . . . . . 920 GLN HB2 . 51078 1 389 . 1 . 1 46 46 GLN HB3 H 1 2.138 0.000 . 2 . . . . . 920 GLN HB3 . 51078 1 390 . 1 . 1 46 46 GLN HG2 H 1 2.376 0.000 . 2 . . . . . 920 GLN HG2 . 51078 1 391 . 1 . 1 46 46 GLN HG3 H 1 2.376 0.000 . 2 . . . . . 920 GLN HG3 . 51078 1 392 . 1 . 1 46 46 GLN HE21 H 1 7.434 0.000 . 2 . . . . . 920 GLN HE21 . 51078 1 393 . 1 . 1 46 46 GLN C C 13 179.295 0.000 . 1 . . . . . 920 GLN C . 51078 1 394 . 1 . 1 46 46 GLN CA C 13 58.999 0.115 . 1 . . . . . 920 GLN CA . 51078 1 395 . 1 . 1 46 46 GLN CB C 13 28.260 0.096 . 1 . . . . . 920 GLN CB . 51078 1 396 . 1 . 1 46 46 GLN CG C 13 33.717 0.040 . 1 . . . . . 920 GLN CG . 51078 1 397 . 1 . 1 46 46 GLN N N 15 119.897 0.037 . 1 . . . . . 920 GLN N . 51078 1 398 . 1 . 1 46 46 GLN NE2 N 15 111.385 0.000 . 1 . . . . . 920 GLN NE2 . 51078 1 399 . 1 . 1 47 47 ASP H H 1 8.868 0.001 . 1 . . . . . 921 ASP H . 51078 1 400 . 1 . 1 47 47 ASP HA H 1 4.417 0.000 . 1 . . . . . 921 ASP HA . 51078 1 401 . 1 . 1 47 47 ASP HB2 H 1 2.749 0.000 . 2 . . . . . 921 ASP HB2 . 51078 1 402 . 1 . 1 47 47 ASP HB3 H 1 2.749 0.000 . 2 . . . . . 921 ASP HB3 . 51078 1 403 . 1 . 1 47 47 ASP C C 13 179.517 0.000 . 1 . . . . . 921 ASP C . 51078 1 404 . 1 . 1 47 47 ASP CA C 13 57.253 0.002 . 1 . . . . . 921 ASP CA . 51078 1 405 . 1 . 1 47 47 ASP CB C 13 39.739 0.060 . 1 . . . . . 921 ASP CB . 51078 1 406 . 1 . 1 47 47 ASP N N 15 121.629 0.055 . 1 . . . . . 921 ASP N . 51078 1 407 . 1 . 1 48 48 TYR H H 1 8.248 0.003 . 1 . . . . . 922 TYR H . 51078 1 408 . 1 . 1 48 48 TYR HA H 1 4.670 0.000 . 1 . . . . . 922 TYR HA . 51078 1 409 . 1 . 1 48 48 TYR HB2 H 1 3.204 0.000 . 2 . . . . . 922 TYR HB2 . 51078 1 410 . 1 . 1 48 48 TYR HB3 H 1 3.054 0.000 . 2 . . . . . 922 TYR HB3 . 51078 1 411 . 1 . 1 48 48 TYR C C 13 178.346 0.000 . 1 . . . . . 922 TYR C . 51078 1 412 . 1 . 1 48 48 TYR CA C 13 60.214 0.179 . 1 . . . . . 922 TYR CA . 51078 1 413 . 1 . 1 48 48 TYR CB C 13 39.430 0.069 . 1 . . . . . 922 TYR CB . 51078 1 414 . 1 . 1 48 48 TYR N N 15 124.032 0.031 . 1 . . . . . 922 TYR N . 51078 1 415 . 1 . 1 49 49 LYS H H 1 8.354 0.005 . 1 . . . . . 923 LYS H . 51078 1 416 . 1 . 1 49 49 LYS HA H 1 3.754 0.000 . 1 . . . . . 923 LYS HA . 51078 1 417 . 1 . 1 49 49 LYS HB2 H 1 1.907 0.000 . 2 . . . . . 923 LYS HB2 . 51078 1 418 . 1 . 1 49 49 LYS HB3 H 1 1.907 0.000 . 2 . . . . . 923 LYS HB3 . 51078 1 419 . 1 . 1 49 49 LYS HG2 H 1 1.481 0.000 . 2 . . . . . 923 LYS HG2 . 51078 1 420 . 1 . 1 49 49 LYS HG3 H 1 1.481 0.000 . 2 . . . . . 923 LYS HG3 . 51078 1 421 . 1 . 1 49 49 LYS HD2 H 1 1.654 0.000 . 2 . . . . . 923 LYS HD2 . 51078 1 422 . 1 . 1 49 49 LYS HD3 H 1 1.654 0.000 . 2 . . . . . 923 LYS HD3 . 51078 1 423 . 1 . 1 49 49 LYS HE2 H 1 2.904 0.000 . 2 . . . . . 923 LYS HE2 . 51078 1 424 . 1 . 1 49 49 LYS HE3 H 1 2.904 0.000 . 2 . . . . . 923 LYS HE3 . 51078 1 425 . 1 . 1 49 49 LYS C C 13 179.162 0.000 . 1 . . . . . 923 LYS C . 51078 1 426 . 1 . 1 49 49 LYS CA C 13 59.161 0.021 . 1 . . . . . 923 LYS CA . 51078 1 427 . 1 . 1 49 49 LYS CB C 13 32.051 0.118 . 1 . . . . . 923 LYS CB . 51078 1 428 . 1 . 1 49 49 LYS CG C 13 25.262 0.000 . 1 . . . . . 923 LYS CG . 51078 1 429 . 1 . 1 49 49 LYS CD C 13 29.618 0.000 . 1 . . . . . 923 LYS CD . 51078 1 430 . 1 . 1 49 49 LYS CE C 13 41.820 0.000 . 1 . . . . . 923 LYS CE . 51078 1 431 . 1 . 1 49 49 LYS N N 15 120.933 0.117 . 1 . . . . . 923 LYS N . 51078 1 432 . 1 . 1 50 50 GLY H H 1 7.813 0.004 . 1 . . . . . 924 GLY H . 51078 1 433 . 1 . 1 50 50 GLY HA2 H 1 4.071 0.000 . 2 . . . . . 924 GLY HA2 . 51078 1 434 . 1 . 1 50 50 GLY HA3 H 1 3.948 0.000 . 2 . . . . . 924 GLY HA3 . 51078 1 435 . 1 . 1 50 50 GLY C C 13 174.740 0.000 . 1 . . . . . 924 GLY C . 51078 1 436 . 1 . 1 50 50 GLY CA C 13 46.448 0.030 . 1 . . . . . 924 GLY CA . 51078 1 437 . 1 . 1 50 50 GLY N N 15 102.807 0.016 . 1 . . . . . 924 GLY N . 51078 1 438 . 1 . 1 51 51 SER H H 1 8.259 0.001 . 1 . . . . . 925 SER H . 51078 1 439 . 1 . 1 51 51 SER HA H 1 4.549 0.000 . 1 . . . . . 925 SER HA . 51078 1 440 . 1 . 1 51 51 SER HB2 H 1 3.963 0.000 . 2 . . . . . 925 SER HB2 . 51078 1 441 . 1 . 1 51 51 SER HB3 H 1 3.963 0.000 . 2 . . . . . 925 SER HB3 . 51078 1 442 . 1 . 1 51 51 SER C C 13 175.701 0.000 . 1 . . . . . 925 SER C . 51078 1 443 . 1 . 1 51 51 SER CA C 13 59.449 0.023 . 1 . . . . . 925 SER CA . 51078 1 444 . 1 . 1 51 51 SER CB C 13 66.101 0.034 . 1 . . . . . 925 SER CB . 51078 1 445 . 1 . 1 51 51 SER N N 15 115.239 0.024 . 1 . . . . . 925 SER N . 51078 1 446 . 1 . 1 52 52 ASP H H 1 8.929 0.001 . 1 . . . . . 926 ASP H . 51078 1 447 . 1 . 1 52 52 ASP HA H 1 4.169 0.000 . 1 . . . . . 926 ASP HA . 51078 1 448 . 1 . 1 52 52 ASP HB2 H 1 3.312 0.000 . 2 . . . . . 926 ASP HB2 . 51078 1 449 . 1 . 1 52 52 ASP HB3 H 1 2.373 0.000 . 2 . . . . . 926 ASP HB3 . 51078 1 450 . 1 . 1 52 52 ASP C C 13 175.045 0.000 . 1 . . . . . 926 ASP C . 51078 1 451 . 1 . 1 52 52 ASP CA C 13 56.094 0.006 . 1 . . . . . 926 ASP CA . 51078 1 452 . 1 . 1 52 52 ASP CB C 13 42.911 0.038 . 1 . . . . . 926 ASP CB . 51078 1 453 . 1 . 1 52 52 ASP N N 15 124.127 0.029 . 1 . . . . . 926 ASP N . 51078 1 454 . 1 . 1 53 53 ASP H H 1 8.110 0.001 . 1 . . . . . 927 ASP H . 51078 1 455 . 1 . 1 53 53 ASP HA H 1 4.858 0.000 . 1 . . . . . 927 ASP HA . 51078 1 456 . 1 . 1 53 53 ASP HB2 H 1 3.029 0.000 . 2 . . . . . 927 ASP HB2 . 51078 1 457 . 1 . 1 53 53 ASP HB3 H 1 2.398 0.000 . 2 . . . . . 927 ASP HB3 . 51078 1 458 . 1 . 1 53 53 ASP C C 13 176.884 0.000 . 1 . . . . . 927 ASP C . 51078 1 459 . 1 . 1 53 53 ASP CA C 13 53.060 0.035 . 1 . . . . . 927 ASP CA . 51078 1 460 . 1 . 1 53 53 ASP CB C 13 40.268 0.047 . 1 . . . . . 927 ASP CB . 51078 1 461 . 1 . 1 53 53 ASP N N 15 115.905 0.026 . 1 . . . . . 927 ASP N . 51078 1 462 . 1 . 1 54 54 PHE H H 1 8.535 0.006 . 1 . . . . . 928 PHE H . 51078 1 463 . 1 . 1 54 54 PHE HA H 1 3.764 0.000 . 1 . . . . . 928 PHE HA . 51078 1 464 . 1 . 1 54 54 PHE HB2 H 1 2.509 0.000 . 2 . . . . . 928 PHE HB2 . 51078 1 465 . 1 . 1 54 54 PHE HB3 H 1 1.627 0.000 . 2 . . . . . 928 PHE HB3 . 51078 1 466 . 1 . 1 54 54 PHE C C 13 175.502 0.000 . 1 . . . . . 928 PHE C . 51078 1 467 . 1 . 1 54 54 PHE CA C 13 61.626 0.014 . 1 . . . . . 928 PHE CA . 51078 1 468 . 1 . 1 54 54 PHE CB C 13 38.260 0.048 . 1 . . . . . 928 PHE CB . 51078 1 469 . 1 . 1 54 54 PHE N N 15 127.957 0.192 . 1 . . . . . 928 PHE N . 51078 1 470 . 1 . 1 55 55 ALA H H 1 8.158 0.001 . 1 . . . . . 929 ALA H . 51078 1 471 . 1 . 1 55 55 ALA HA H 1 3.850 0.000 . 1 . . . . . 929 ALA HA . 51078 1 472 . 1 . 1 55 55 ALA HB1 H 1 1.474 0.000 . 1 . . . . . 929 ALA HB . 51078 1 473 . 1 . 1 55 55 ALA HB2 H 1 1.474 0.000 . 1 . . . . . 929 ALA HB . 51078 1 474 . 1 . 1 55 55 ALA HB3 H 1 1.474 0.000 . 1 . . . . . 929 ALA HB . 51078 1 475 . 1 . 1 55 55 ALA C C 13 180.911 0.000 . 1 . . . . . 929 ALA C . 51078 1 476 . 1 . 1 55 55 ALA CA C 13 55.408 0.029 . 1 . . . . . 929 ALA CA . 51078 1 477 . 1 . 1 55 55 ALA CB C 13 17.736 0.069 . 1 . . . . . 929 ALA CB . 51078 1 478 . 1 . 1 55 55 ALA N N 15 121.461 0.031 . 1 . . . . . 929 ALA N . 51078 1 479 . 1 . 1 56 56 ALA H H 1 7.608 0.000 . 1 . . . . . 930 ALA H . 51078 1 480 . 1 . 1 56 56 ALA HA H 1 3.956 0.000 . 1 . . . . . 930 ALA HA . 51078 1 481 . 1 . 1 56 56 ALA HB1 H 1 1.249 0.000 . 1 . . . . . 930 ALA HB . 51078 1 482 . 1 . 1 56 56 ALA HB2 H 1 1.249 0.000 . 1 . . . . . 930 ALA HB . 51078 1 483 . 1 . 1 56 56 ALA HB3 H 1 1.249 0.000 . 1 . . . . . 930 ALA HB . 51078 1 484 . 1 . 1 56 56 ALA C C 13 179.839 0.000 . 1 . . . . . 930 ALA C . 51078 1 485 . 1 . 1 56 56 ALA CA C 13 54.390 0.069 . 1 . . . . . 930 ALA CA . 51078 1 486 . 1 . 1 56 56 ALA CB C 13 18.245 0.092 . 1 . . . . . 930 ALA CB . 51078 1 487 . 1 . 1 56 56 ALA N N 15 120.541 0.000 . 1 . . . . . 930 ALA N . 51078 1 488 . 1 . 1 57 57 LEU H H 1 6.811 0.001 . 1 . . . . . 931 LEU H . 51078 1 489 . 1 . 1 57 57 LEU HA H 1 4.017 0.000 . 1 . . . . . 931 LEU HA . 51078 1 490 . 1 . 1 57 57 LEU HB2 H 1 1.325 0.000 . 2 . . . . . 931 LEU HB2 . 51078 1 491 . 1 . 1 57 57 LEU HB3 H 1 1.157 0.000 . 2 . . . . . 931 LEU HB3 . 51078 1 492 . 1 . 1 57 57 LEU HG H 1 0.915 0.000 . 1 . . . . . 931 LEU HG . 51078 1 493 . 1 . 1 57 57 LEU HD11 H 1 0.494 0.000 . 2 . . . . . 931 LEU HD1 . 51078 1 494 . 1 . 1 57 57 LEU HD12 H 1 0.494 0.000 . 2 . . . . . 931 LEU HD1 . 51078 1 495 . 1 . 1 57 57 LEU HD13 H 1 0.494 0.000 . 2 . . . . . 931 LEU HD1 . 51078 1 496 . 1 . 1 57 57 LEU HD21 H 1 0.170 0.000 . 2 . . . . . 931 LEU HD2 . 51078 1 497 . 1 . 1 57 57 LEU HD22 H 1 0.170 0.000 . 2 . . . . . 931 LEU HD2 . 51078 1 498 . 1 . 1 57 57 LEU HD23 H 1 0.170 0.000 . 2 . . . . . 931 LEU HD2 . 51078 1 499 . 1 . 1 57 57 LEU C C 13 178.877 0.000 . 1 . . . . . 931 LEU C . 51078 1 500 . 1 . 1 57 57 LEU CA C 13 57.638 0.017 . 1 . . . . . 931 LEU CA . 51078 1 501 . 1 . 1 57 57 LEU CB C 13 40.907 0.077 . 1 . . . . . 931 LEU CB . 51078 1 502 . 1 . 1 57 57 LEU CG C 13 27.088 0.000 . 1 . . . . . 931 LEU CG . 51078 1 503 . 1 . 1 57 57 LEU CD1 C 13 23.850 0.000 . 2 . . . . . 931 LEU CD1 . 51078 1 504 . 1 . 1 57 57 LEU CD2 C 13 22.176 0.000 . 2 . . . . . 931 LEU CD2 . 51078 1 505 . 1 . 1 57 57 LEU N N 15 120.367 0.013 . 1 . . . . . 931 LEU N . 51078 1 506 . 1 . 1 58 58 ALA H H 1 8.434 0.001 . 1 . . . . . 932 ALA H . 51078 1 507 . 1 . 1 58 58 ALA HA H 1 3.414 0.000 . 1 . . . . . 932 ALA HA . 51078 1 508 . 1 . 1 58 58 ALA HB1 H 1 1.105 0.000 . 1 . . . . . 932 ALA HB . 51078 1 509 . 1 . 1 58 58 ALA HB2 H 1 1.105 0.000 . 1 . . . . . 932 ALA HB . 51078 1 510 . 1 . 1 58 58 ALA HB3 H 1 1.105 0.000 . 1 . . . . . 932 ALA HB . 51078 1 511 . 1 . 1 58 58 ALA C C 13 179.837 0.000 . 1 . . . . . 932 ALA C . 51078 1 512 . 1 . 1 58 58 ALA CA C 13 55.301 0.000 . 1 . . . . . 932 ALA CA . 51078 1 513 . 1 . 1 58 58 ALA CB C 13 17.717 0.000 . 1 . . . . . 932 ALA CB . 51078 1 514 . 1 . 1 58 58 ALA N N 15 121.266 0.037 . 1 . . . . . 932 ALA N . 51078 1 515 . 1 . 1 59 59 ALA H H 1 7.505 0.000 . 1 . . . . . 933 ALA H . 51078 1 516 . 1 . 1 59 59 ALA HA H 1 4.048 0.000 . 1 . . . . . 933 ALA HA . 51078 1 517 . 1 . 1 59 59 ALA HB1 H 1 1.420 0.000 . 1 . . . . . 933 ALA HB . 51078 1 518 . 1 . 1 59 59 ALA HB2 H 1 1.420 0.000 . 1 . . . . . 933 ALA HB . 51078 1 519 . 1 . 1 59 59 ALA HB3 H 1 1.420 0.000 . 1 . . . . . 933 ALA HB . 51078 1 520 . 1 . 1 59 59 ALA C C 13 178.885 0.000 . 1 . . . . . 933 ALA C . 51078 1 521 . 1 . 1 59 59 ALA CA C 13 54.188 0.038 . 1 . . . . . 933 ALA CA . 51078 1 522 . 1 . 1 59 59 ALA CB C 13 18.158 0.048 . 1 . . . . . 933 ALA CB . 51078 1 523 . 1 . 1 59 59 ALA N N 15 118.115 0.000 . 1 . . . . . 933 ALA N . 51078 1 524 . 1 . 1 60 60 CYS H H 1 7.410 0.001 . 1 . . . . . 934 CYS H . 51078 1 525 . 1 . 1 60 60 CYS HA H 1 4.317 0.000 . 1 . . . . . 934 CYS HA . 51078 1 526 . 1 . 1 60 60 CYS HB2 H 1 2.904 0.000 . 2 . . . . . 934 CYS HB2 . 51078 1 527 . 1 . 1 60 60 CYS HB3 H 1 2.686 0.000 . 2 . . . . . 934 CYS HB3 . 51078 1 528 . 1 . 1 60 60 CYS C C 13 176.075 0.000 . 1 . . . . . 934 CYS C . 51078 1 529 . 1 . 1 60 60 CYS CA C 13 60.260 0.036 . 1 . . . . . 934 CYS CA . 51078 1 530 . 1 . 1 60 60 CYS CB C 13 27.548 0.061 . 1 . . . . . 934 CYS CB . 51078 1 531 . 1 . 1 60 60 CYS N N 15 114.738 0.007 . 1 . . . . . 934 CYS N . 51078 1 532 . 1 . 1 61 61 LEU H H 1 7.910 0.001 . 1 . . . . . 935 LEU H . 51078 1 533 . 1 . 1 61 61 LEU HA H 1 3.830 0.000 . 1 . . . . . 935 LEU HA . 51078 1 534 . 1 . 1 61 61 LEU HB2 H 1 1.621 0.000 . 2 . . . . . 935 LEU HB2 . 51078 1 535 . 1 . 1 61 61 LEU HB3 H 1 1.206 0.000 . 2 . . . . . 935 LEU HB3 . 51078 1 536 . 1 . 1 61 61 LEU HG H 1 0.707 0.000 . 1 . . . . . 935 LEU HG . 51078 1 537 . 1 . 1 61 61 LEU HD11 H 1 0.464 0.000 . 2 . . . . . 935 LEU HD1 . 51078 1 538 . 1 . 1 61 61 LEU HD12 H 1 0.464 0.000 . 2 . . . . . 935 LEU HD1 . 51078 1 539 . 1 . 1 61 61 LEU HD13 H 1 0.464 0.000 . 2 . . . . . 935 LEU HD1 . 51078 1 540 . 1 . 1 61 61 LEU HD21 H 1 0.464 0.000 . 2 . . . . . 935 LEU HD2 . 51078 1 541 . 1 . 1 61 61 LEU HD22 H 1 0.464 0.000 . 2 . . . . . 935 LEU HD2 . 51078 1 542 . 1 . 1 61 61 LEU HD23 H 1 0.464 0.000 . 2 . . . . . 935 LEU HD2 . 51078 1 543 . 1 . 1 61 61 LEU C C 13 178.530 0.000 . 1 . . . . . 935 LEU C . 51078 1 544 . 1 . 1 61 61 LEU CA C 13 57.553 0.010 . 1 . . . . . 935 LEU CA . 51078 1 545 . 1 . 1 61 61 LEU CB C 13 42.183 0.046 . 1 . . . . . 935 LEU CB . 51078 1 546 . 1 . 1 61 61 LEU CG C 13 25.506 0.000 . 1 . . . . . 935 LEU CG . 51078 1 547 . 1 . 1 61 61 LEU CD1 C 13 21.759 0.000 . 2 . . . . . 935 LEU CD1 . 51078 1 548 . 1 . 1 61 61 LEU CD2 C 13 21.759 0.000 . 2 . . . . . 935 LEU CD2 . 51078 1 549 . 1 . 1 61 61 LEU N N 15 116.906 0.019 . 1 . . . . . 935 LEU N . 51078 1 550 . 1 . 1 62 62 GLY H H 1 7.933 0.002 . 1 . . . . . 936 GLY H . 51078 1 551 . 1 . 1 62 62 GLY HA2 H 1 4.097 0.000 . 2 . . . . . 936 GLY HA2 . 51078 1 552 . 1 . 1 62 62 GLY HA3 H 1 3.738 0.000 . 2 . . . . . 936 GLY HA3 . 51078 1 553 . 1 . 1 62 62 GLY C C 13 173.950 0.000 . 1 . . . . . 936 GLY C . 51078 1 554 . 1 . 1 62 62 GLY CA C 13 48.775 0.000 . 1 . . . . . 936 GLY CA . 51078 1 555 . 1 . 1 62 62 GLY N N 15 104.319 0.040 . 1 . . . . . 936 GLY N . 51078 1 556 . 1 . 1 63 63 PRO HA H 1 4.242 0.000 . 1 . . . . . 937 PRO HA . 51078 1 557 . 1 . 1 63 63 PRO HB2 H 1 2.361 0.000 . 2 . . . . . 937 PRO HB2 . 51078 1 558 . 1 . 1 63 63 PRO HB3 H 1 1.747 0.000 . 2 . . . . . 937 PRO HB3 . 51078 1 559 . 1 . 1 63 63 PRO C C 13 178.501 0.000 . 1 . . . . . 937 PRO C . 51078 1 560 . 1 . 1 63 63 PRO CA C 13 64.649 0.020 . 1 . . . . . 937 PRO CA . 51078 1 561 . 1 . 1 63 63 PRO CB C 13 32.105 0.015 . 1 . . . . . 937 PRO CB . 51078 1 562 . 1 . 1 63 63 PRO CG C 13 27.995 0.000 . 1 . . . . . 937 PRO CG . 51078 1 563 . 1 . 1 63 63 PRO CD C 13 50.764 0.000 . 1 . . . . . 937 PRO CD . 51078 1 564 . 1 . 1 64 64 LEU H H 1 6.944 0.003 . 1 . . . . . 938 LEU H . 51078 1 565 . 1 . 1 64 64 LEU HA H 1 3.952 0.000 . 1 . . . . . 938 LEU HA . 51078 1 566 . 1 . 1 64 64 LEU HB2 H 1 1.433 0.000 . 2 . . . . . 938 LEU HB2 . 51078 1 567 . 1 . 1 64 64 LEU HB3 H 1 0.671 0.000 . 2 . . . . . 938 LEU HB3 . 51078 1 568 . 1 . 1 64 64 LEU HG H 1 0.668 0.000 . 1 . . . . . 938 LEU HG . 51078 1 569 . 1 . 1 64 64 LEU HD11 H 1 0.618 0.000 . 2 . . . . . 938 LEU HD1 . 51078 1 570 . 1 . 1 64 64 LEU HD12 H 1 0.618 0.000 . 2 . . . . . 938 LEU HD1 . 51078 1 571 . 1 . 1 64 64 LEU HD13 H 1 0.618 0.000 . 2 . . . . . 938 LEU HD1 . 51078 1 572 . 1 . 1 64 64 LEU HD21 H 1 0.618 0.000 . 2 . . . . . 938 LEU HD2 . 51078 1 573 . 1 . 1 64 64 LEU HD22 H 1 0.618 0.000 . 2 . . . . . 938 LEU HD2 . 51078 1 574 . 1 . 1 64 64 LEU HD23 H 1 0.618 0.000 . 2 . . . . . 938 LEU HD2 . 51078 1 575 . 1 . 1 64 64 LEU C C 13 178.223 0.000 . 1 . . . . . 938 LEU C . 51078 1 576 . 1 . 1 64 64 LEU CA C 13 56.912 0.062 . 1 . . . . . 938 LEU CA . 51078 1 577 . 1 . 1 64 64 LEU CB C 13 42.352 0.074 . 1 . . . . . 938 LEU CB . 51078 1 578 . 1 . 1 64 64 LEU CG C 13 25.629 0.000 . 1 . . . . . 938 LEU CG . 51078 1 579 . 1 . 1 64 64 LEU CD1 C 13 23.387 0.000 . 2 . . . . . 938 LEU CD1 . 51078 1 580 . 1 . 1 64 64 LEU CD2 C 13 23.387 0.000 . 2 . . . . . 938 LEU CD2 . 51078 1 581 . 1 . 1 64 64 LEU N N 15 113.616 0.035 . 1 . . . . . 938 LEU N . 51078 1 582 . 1 . 1 65 65 PHE H H 1 7.776 0.003 . 1 . . . . . 939 PHE H . 51078 1 583 . 1 . 1 65 65 PHE HA H 1 4.867 0.000 . 1 . . . . . 939 PHE HA . 51078 1 584 . 1 . 1 65 65 PHE HB2 H 1 3.356 0.000 . 2 . . . . . 939 PHE HB2 . 51078 1 585 . 1 . 1 65 65 PHE HB3 H 1 2.753 0.000 . 2 . . . . . 939 PHE HB3 . 51078 1 586 . 1 . 1 65 65 PHE C C 13 175.232 0.000 . 1 . . . . . 939 PHE C . 51078 1 587 . 1 . 1 65 65 PHE CA C 13 57.203 0.190 . 1 . . . . . 939 PHE CA . 51078 1 588 . 1 . 1 65 65 PHE CB C 13 41.189 0.012 . 1 . . . . . 939 PHE CB . 51078 1 589 . 1 . 1 65 65 PHE N N 15 113.271 0.058 . 1 . . . . . 939 PHE N . 51078 1 590 . 1 . 1 66 66 ALA H H 1 8.178 0.002 . 1 . . . . . 940 ALA H . 51078 1 591 . 1 . 1 66 66 ALA HA H 1 4.225 0.000 . 1 . . . . . 940 ALA HA . 51078 1 592 . 1 . 1 66 66 ALA HB1 H 1 1.514 0.000 . 1 . . . . . 940 ALA HB . 51078 1 593 . 1 . 1 66 66 ALA HB2 H 1 1.514 0.000 . 1 . . . . . 940 ALA HB . 51078 1 594 . 1 . 1 66 66 ALA HB3 H 1 1.514 0.000 . 1 . . . . . 940 ALA HB . 51078 1 595 . 1 . 1 66 66 ALA C C 13 179.329 0.000 . 1 . . . . . 940 ALA C . 51078 1 596 . 1 . 1 66 66 ALA CA C 13 54.454 0.101 . 1 . . . . . 940 ALA CA . 51078 1 597 . 1 . 1 66 66 ALA CB C 13 20.759 0.224 . 1 . . . . . 940 ALA CB . 51078 1 598 . 1 . 1 66 66 ALA N N 15 118.709 0.054 . 1 . . . . . 940 ALA N . 51078 1 599 . 1 . 1 67 67 GLU H H 1 8.056 0.009 . 1 . . . . . 941 GLU H . 51078 1 600 . 1 . 1 67 67 GLU HA H 1 4.133 0.005 . 1 . . . . . 941 GLU HA . 51078 1 601 . 1 . 1 67 67 GLU HB2 H 1 2.037 0.000 . 2 . . . . . 941 GLU HB2 . 51078 1 602 . 1 . 1 67 67 GLU HB3 H 1 2.037 0.000 . 2 . . . . . 941 GLU HB3 . 51078 1 603 . 1 . 1 67 67 GLU HG2 H 1 2.269 0.000 . 2 . . . . . 941 GLU HG2 . 51078 1 604 . 1 . 1 67 67 GLU HG3 H 1 2.269 0.000 . 2 . . . . . 941 GLU HG3 . 51078 1 605 . 1 . 1 67 67 GLU C C 13 175.623 0.000 . 1 . . . . . 941 GLU C . 51078 1 606 . 1 . 1 67 67 GLU CA C 13 58.362 0.000 . 1 . . . . . 941 GLU CA . 51078 1 607 . 1 . 1 67 67 GLU CB C 13 30.121 0.000 . 1 . . . . . 941 GLU CB . 51078 1 608 . 1 . 1 67 67 GLU N N 15 116.156 0.215 . 1 . . . . . 941 GLU N . 51078 1 609 . 1 . 1 68 68 ASP H H 1 7.329 0.003 . 1 . . . . . 942 ASP H . 51078 1 610 . 1 . 1 68 68 ASP N N 15 117.093 0.066 . 1 . . . . . 942 ASP N . 51078 1 611 . 1 . 1 71 71 LYS H H 1 7.998 0.000 . 1 . . . . . 945 LYS H . 51078 1 612 . 1 . 1 71 71 LYS N N 15 117.332 0.000 . 1 . . . . . 945 LYS N . 51078 1 613 . 1 . 1 75 75 LEU HA H 1 3.906 0.000 . 1 . . . . . 949 LEU HA . 51078 1 614 . 1 . 1 75 75 LEU HB2 H 1 1.849 0.000 . 2 . . . . . 949 LEU HB2 . 51078 1 615 . 1 . 1 75 75 LEU HB3 H 1 1.613 0.000 . 2 . . . . . 949 LEU HB3 . 51078 1 616 . 1 . 1 75 75 LEU HD11 H 1 0.715 0.000 . 2 . . . . . 949 LEU HD1 . 51078 1 617 . 1 . 1 75 75 LEU HD12 H 1 0.715 0.000 . 2 . . . . . 949 LEU HD1 . 51078 1 618 . 1 . 1 75 75 LEU HD13 H 1 0.715 0.000 . 2 . . . . . 949 LEU HD1 . 51078 1 619 . 1 . 1 75 75 LEU HD21 H 1 0.715 0.000 . 2 . . . . . 949 LEU HD2 . 51078 1 620 . 1 . 1 75 75 LEU HD22 H 1 0.715 0.000 . 2 . . . . . 949 LEU HD2 . 51078 1 621 . 1 . 1 75 75 LEU HD23 H 1 0.715 0.000 . 2 . . . . . 949 LEU HD2 . 51078 1 622 . 1 . 1 75 75 LEU CA C 13 58.231 0.034 . 1 . . . . . 949 LEU CA . 51078 1 623 . 1 . 1 75 75 LEU CB C 13 41.503 0.028 . 1 . . . . . 949 LEU CB . 51078 1 624 . 1 . 1 75 75 LEU CG C 13 25.038 0.000 . 1 . . . . . 949 LEU CG . 51078 1 625 . 1 . 1 76 76 GLN H H 1 7.856 0.002 . 1 . . . . . 950 GLN H . 51078 1 626 . 1 . 1 76 76 GLN HA H 1 4.111 0.000 . 1 . . . . . 950 GLN HA . 51078 1 627 . 1 . 1 76 76 GLN HB2 H 1 2.165 0.000 . 2 . . . . . 950 GLN HB2 . 51078 1 628 . 1 . 1 76 76 GLN HB3 H 1 2.165 0.000 . 2 . . . . . 950 GLN HB3 . 51078 1 629 . 1 . 1 76 76 GLN HG2 H 1 2.382 0.000 . 2 . . . . . 950 GLN HG2 . 51078 1 630 . 1 . 1 76 76 GLN HG3 H 1 2.382 0.000 . 2 . . . . . 950 GLN HG3 . 51078 1 631 . 1 . 1 76 76 GLN HE21 H 1 7.577 0.000 . 2 . . . . . 950 GLN HE21 . 51078 1 632 . 1 . 1 76 76 GLN HE22 H 1 6.900 0.000 . 2 . . . . . 950 GLN HE22 . 51078 1 633 . 1 . 1 76 76 GLN C C 13 179.281 0.000 . 1 . . . . . 950 GLN C . 51078 1 634 . 1 . 1 76 76 GLN CA C 13 59.286 0.029 . 1 . . . . . 950 GLN CA . 51078 1 635 . 1 . 1 76 76 GLN CB C 13 28.114 0.055 . 1 . . . . . 950 GLN CB . 51078 1 636 . 1 . 1 76 76 GLN CG C 13 33.959 0.036 . 1 . . . . . 950 GLN CG . 51078 1 637 . 1 . 1 76 76 GLN N N 15 114.998 0.050 . 1 . . . . . 950 GLN N . 51078 1 638 . 1 . 1 76 76 GLN NE2 N 15 111.937 0.017 . 1 . . . . . 950 GLN NE2 . 51078 1 639 . 1 . 1 77 77 GLY H H 1 7.973 0.004 . 1 . . . . . 951 GLY H . 51078 1 640 . 1 . 1 77 77 GLY HA2 H 1 3.875 0.002 . 2 . . . . . 951 GLY HA2 . 51078 1 641 . 1 . 1 77 77 GLY HA3 H 1 3.733 0.006 . 2 . . . . . 951 GLY HA3 . 51078 1 642 . 1 . 1 77 77 GLY C C 13 174.400 0.000 . 1 . . . . . 951 GLY C . 51078 1 643 . 1 . 1 77 77 GLY CA C 13 46.593 0.018 . 1 . . . . . 951 GLY CA . 51078 1 644 . 1 . 1 77 77 GLY N N 15 105.730 0.025 . 1 . . . . . 951 GLY N . 51078 1 645 . 1 . 1 78 78 PHE H H 1 8.049 0.002 . 1 . . . . . 952 PHE H . 51078 1 646 . 1 . 1 78 78 PHE HA H 1 3.733 0.000 . 1 . . . . . 952 PHE HA . 51078 1 647 . 1 . 1 78 78 PHE HB2 H 1 3.281 0.000 . 2 . . . . . 952 PHE HB2 . 51078 1 648 . 1 . 1 78 78 PHE HB3 H 1 3.281 0.000 . 2 . . . . . 952 PHE HB3 . 51078 1 649 . 1 . 1 78 78 PHE C C 13 174.819 0.000 . 1 . . . . . 952 PHE C . 51078 1 650 . 1 . 1 78 78 PHE CA C 13 59.273 0.001 . 1 . . . . . 952 PHE CA . 51078 1 651 . 1 . 1 78 78 PHE CB C 13 39.265 0.047 . 1 . . . . . 952 PHE CB . 51078 1 652 . 1 . 1 78 78 PHE N N 15 121.334 0.022 . 1 . . . . . 952 PHE N . 51078 1 653 . 1 . 1 79 79 TYR H H 1 7.483 0.003 . 1 . . . . . 953 TYR H . 51078 1 654 . 1 . 1 79 79 TYR HA H 1 3.386 0.000 . 1 . . . . . 953 TYR HA . 51078 1 655 . 1 . 1 79 79 TYR HB2 H 1 3.180 0.000 . 2 . . . . . 953 TYR HB2 . 51078 1 656 . 1 . 1 79 79 TYR HB3 H 1 2.905 0.000 . 2 . . . . . 953 TYR HB3 . 51078 1 657 . 1 . 1 79 79 TYR C C 13 176.465 0.000 . 1 . . . . . 953 TYR C . 51078 1 658 . 1 . 1 79 79 TYR CA C 13 61.107 0.049 . 1 . . . . . 953 TYR CA . 51078 1 659 . 1 . 1 79 79 TYR CB C 13 39.082 0.005 . 1 . . . . . 953 TYR CB . 51078 1 660 . 1 . 1 79 79 TYR N N 15 117.521 0.026 . 1 . . . . . 953 TYR N . 51078 1 661 . 1 . 1 80 80 GLN H H 1 6.887 0.003 . 1 . . . . . 954 GLN H . 51078 1 662 . 1 . 1 80 80 GLN HA H 1 3.732 0.000 . 1 . . . . . 954 GLN HA . 51078 1 663 . 1 . 1 80 80 GLN HB2 H 1 1.538 0.000 . 2 . . . . . 954 GLN HB2 . 51078 1 664 . 1 . 1 80 80 GLN HB3 H 1 1.538 0.000 . 2 . . . . . 954 GLN HB3 . 51078 1 665 . 1 . 1 80 80 GLN C C 13 175.522 0.000 . 1 . . . . . 954 GLN C . 51078 1 666 . 1 . 1 80 80 GLN CA C 13 57.005 0.039 . 1 . . . . . 954 GLN CA . 51078 1 667 . 1 . 1 80 80 GLN CB C 13 28.691 0.011 . 1 . . . . . 954 GLN CB . 51078 1 668 . 1 . 1 80 80 GLN CG C 13 32.371 0.000 . 1 . . . . . 954 GLN CG . 51078 1 669 . 1 . 1 80 80 GLN N N 15 113.383 0.087 . 1 . . . . . 954 GLN N . 51078 1 670 . 1 . 1 81 81 PHE H H 1 7.655 0.003 . 1 . . . . . 955 PHE H . 51078 1 671 . 1 . 1 81 81 PHE HA H 1 4.249 0.000 . 1 . . . . . 955 PHE HA . 51078 1 672 . 1 . 1 81 81 PHE HB2 H 1 2.871 0.000 . 2 . . . . . 955 PHE HB2 . 51078 1 673 . 1 . 1 81 81 PHE HB3 H 1 1.751 0.000 . 2 . . . . . 955 PHE HB3 . 51078 1 674 . 1 . 1 81 81 PHE C C 13 175.110 0.000 . 1 . . . . . 955 PHE C . 51078 1 675 . 1 . 1 81 81 PHE CA C 13 57.836 0.081 . 1 . . . . . 955 PHE CA . 51078 1 676 . 1 . 1 81 81 PHE CB C 13 39.485 0.079 . 1 . . . . . 955 PHE CB . 51078 1 677 . 1 . 1 81 81 PHE N N 15 118.044 0.047 . 1 . . . . . 955 PHE N . 51078 1 678 . 1 . 1 82 82 VAL H H 1 6.857 0.003 . 1 . . . . . 956 VAL H . 51078 1 679 . 1 . 1 82 82 VAL HA H 1 3.703 0.006 . 1 . . . . . 956 VAL HA . 51078 1 680 . 1 . 1 82 82 VAL HB H 1 1.564 0.000 . 1 . . . . . 956 VAL HB . 51078 1 681 . 1 . 1 82 82 VAL HG11 H 1 0.769 0.000 . 2 . . . . . 956 VAL HG1 . 51078 1 682 . 1 . 1 82 82 VAL HG12 H 1 0.769 0.000 . 2 . . . . . 956 VAL HG1 . 51078 1 683 . 1 . 1 82 82 VAL HG13 H 1 0.769 0.000 . 2 . . . . . 956 VAL HG1 . 51078 1 684 . 1 . 1 82 82 VAL HG21 H 1 0.769 0.000 . 2 . . . . . 956 VAL HG2 . 51078 1 685 . 1 . 1 82 82 VAL HG22 H 1 0.769 0.000 . 2 . . . . . 956 VAL HG2 . 51078 1 686 . 1 . 1 82 82 VAL HG23 H 1 0.769 0.000 . 2 . . . . . 956 VAL HG2 . 51078 1 687 . 1 . 1 82 82 VAL C C 13 176.253 0.000 . 1 . . . . . 956 VAL C . 51078 1 688 . 1 . 1 82 82 VAL CA C 13 62.993 0.000 . 1 . . . . . 956 VAL CA . 51078 1 689 . 1 . 1 82 82 VAL CB C 13 32.222 0.000 . 1 . . . . . 956 VAL CB . 51078 1 690 . 1 . 1 82 82 VAL CG1 C 13 21.918 0.000 . 2 . . . . . 956 VAL CG1 . 51078 1 691 . 1 . 1 82 82 VAL CG2 C 13 21.918 0.000 . 2 . . . . . 956 VAL CG2 . 51078 1 692 . 1 . 1 82 82 VAL N N 15 119.079 0.060 . 1 . . . . . 956 VAL N . 51078 1 693 . 1 . 1 83 83 ARG H H 1 8.663 0.006 . 1 . . . . . 957 ARG H . 51078 1 694 . 1 . 1 83 83 ARG HA H 1 4.259 0.000 . 1 . . . . . 957 ARG HA . 51078 1 695 . 1 . 1 83 83 ARG C C 13 176.060 0.000 . 1 . . . . . 957 ARG C . 51078 1 696 . 1 . 1 83 83 ARG CA C 13 56.121 0.000 . 1 . . . . . 957 ARG CA . 51078 1 697 . 1 . 1 83 83 ARG CB C 13 28.572 0.000 . 1 . . . . . 957 ARG CB . 51078 1 698 . 1 . 1 83 83 ARG N N 15 127.776 0.073 . 1 . . . . . 957 ARG N . 51078 1 699 . 1 . 1 85 85 HIS HA H 1 4.587 0.000 . 1 . . . . . 959 HIS HA . 51078 1 700 . 1 . 1 85 85 HIS HB2 H 1 3.215 0.000 . 2 . . . . . 959 HIS HB2 . 51078 1 701 . 1 . 1 85 85 HIS HB3 H 1 2.869 0.000 . 2 . . . . . 959 HIS HB3 . 51078 1 702 . 1 . 1 85 85 HIS C C 13 175.581 0.000 . 1 . . . . . 959 HIS C . 51078 1 703 . 1 . 1 85 85 HIS CA C 13 56.726 0.000 . 1 . . . . . 959 HIS CA . 51078 1 704 . 1 . 1 85 85 HIS CB C 13 28.701 0.000 . 1 . . . . . 959 HIS CB . 51078 1 705 . 1 . 1 86 86 HIS H H 1 7.897 0.000 . 1 . . . . . 960 HIS H . 51078 1 706 . 1 . 1 86 86 HIS HA H 1 4.969 0.000 . 1 . . . . . 960 HIS HA . 51078 1 707 . 1 . 1 86 86 HIS HB2 H 1 2.815 0.000 . 2 . . . . . 960 HIS HB2 . 51078 1 708 . 1 . 1 86 86 HIS HB3 H 1 2.676 0.000 . 2 . . . . . 960 HIS HB3 . 51078 1 709 . 1 . 1 86 86 HIS C C 13 175.361 0.007 . 1 . . . . . 960 HIS C . 51078 1 710 . 1 . 1 86 86 HIS CA C 13 54.655 0.016 . 1 . . . . . 960 HIS CA . 51078 1 711 . 1 . 1 86 86 HIS CB C 13 33.760 0.082 . 1 . . . . . 960 HIS CB . 51078 1 712 . 1 . 1 86 86 HIS N N 15 119.985 0.000 . 1 . . . . . 960 HIS N . 51078 1 713 . 1 . 1 87 87 LYS H H 1 7.277 0.002 . 1 . . . . . 961 LYS H . 51078 1 714 . 1 . 1 87 87 LYS HA H 1 3.695 0.000 . 1 . . . . . 961 LYS HA . 51078 1 715 . 1 . 1 87 87 LYS HB2 H 1 1.952 0.000 . 2 . . . . . 961 LYS HB2 . 51078 1 716 . 1 . 1 87 87 LYS HB3 H 1 1.952 0.000 . 2 . . . . . 961 LYS HB3 . 51078 1 717 . 1 . 1 87 87 LYS HG2 H 1 1.339 0.000 . 2 . . . . . 961 LYS HG2 . 51078 1 718 . 1 . 1 87 87 LYS HG3 H 1 1.339 0.000 . 2 . . . . . 961 LYS HG3 . 51078 1 719 . 1 . 1 87 87 LYS C C 13 178.156 0.000 . 1 . . . . . 961 LYS C . 51078 1 720 . 1 . 1 87 87 LYS CA C 13 60.988 0.052 . 1 . . . . . 961 LYS CA . 51078 1 721 . 1 . 1 87 87 LYS CB C 13 32.524 0.116 . 1 . . . . . 961 LYS CB . 51078 1 722 . 1 . 1 87 87 LYS CG C 13 25.667 0.000 . 1 . . . . . 961 LYS CG . 51078 1 723 . 1 . 1 87 87 LYS CD C 13 28.801 0.000 . 1 . . . . . 961 LYS CD . 51078 1 724 . 1 . 1 87 87 LYS CE C 13 42.348 0.000 . 1 . . . . . 961 LYS CE . 51078 1 725 . 1 . 1 87 87 LYS N N 15 120.925 0.033 . 1 . . . . . 961 LYS N . 51078 1 726 . 1 . 1 88 88 GLN H H 1 8.640 0.003 . 1 . . . . . 962 GLN H . 51078 1 727 . 1 . 1 88 88 GLN HA H 1 4.081 0.000 . 1 . . . . . 962 GLN HA . 51078 1 728 . 1 . 1 88 88 GLN HB2 H 1 2.059 0.000 . 2 . . . . . 962 GLN HB2 . 51078 1 729 . 1 . 1 88 88 GLN HB3 H 1 2.059 0.000 . 2 . . . . . 962 GLN HB3 . 51078 1 730 . 1 . 1 88 88 GLN HG2 H 1 2.389 0.000 . 2 . . . . . 962 GLN HG2 . 51078 1 731 . 1 . 1 88 88 GLN HG3 H 1 2.389 0.000 . 2 . . . . . 962 GLN HG3 . 51078 1 732 . 1 . 1 88 88 GLN HE21 H 1 7.718 0.000 . 2 . . . . . 962 GLN HE21 . 51078 1 733 . 1 . 1 88 88 GLN HE22 H 1 7.678 0.000 . 2 . . . . . 962 GLN HE22 . 51078 1 734 . 1 . 1 88 88 GLN C C 13 178.562 0.000 . 1 . . . . . 962 GLN C . 51078 1 735 . 1 . 1 88 88 GLN CA C 13 59.256 0.031 . 1 . . . . . 962 GLN CA . 51078 1 736 . 1 . 1 88 88 GLN CB C 13 27.608 0.062 . 1 . . . . . 962 GLN CB . 51078 1 737 . 1 . 1 88 88 GLN CG C 13 33.893 0.024 . 1 . . . . . 962 GLN CG . 51078 1 738 . 1 . 1 88 88 GLN N N 15 118.684 0.021 . 1 . . . . . 962 GLN N . 51078 1 739 . 1 . 1 88 88 GLN NE2 N 15 112.582 0.174 . 1 . . . . . 962 GLN NE2 . 51078 1 740 . 1 . 1 89 89 GLN H H 1 8.007 0.002 . 1 . . . . . 963 GLN H . 51078 1 741 . 1 . 1 89 89 GLN HA H 1 3.945 0.000 . 1 . . . . . 963 GLN HA . 51078 1 742 . 1 . 1 89 89 GLN HB2 H 1 1.751 0.000 . 2 . . . . . 963 GLN HB2 . 51078 1 743 . 1 . 1 89 89 GLN HB3 H 1 1.435 0.000 . 2 . . . . . 963 GLN HB3 . 51078 1 744 . 1 . 1 89 89 GLN HG2 H 1 2.339 0.000 . 2 . . . . . 963 GLN HG2 . 51078 1 745 . 1 . 1 89 89 GLN HG3 H 1 2.339 0.000 . 2 . . . . . 963 GLN HG3 . 51078 1 746 . 1 . 1 89 89 GLN HE22 H 1 6.900 0.006 . 2 . . . . . 963 GLN HE22 . 51078 1 747 . 1 . 1 89 89 GLN C C 13 178.901 0.000 . 1 . . . . . 963 GLN C . 51078 1 748 . 1 . 1 89 89 GLN CA C 13 59.176 0.018 . 1 . . . . . 963 GLN CA . 51078 1 749 . 1 . 1 89 89 GLN CB C 13 28.862 0.095 . 1 . . . . . 963 GLN CB . 51078 1 750 . 1 . 1 89 89 GLN CG C 13 35.356 0.081 . 1 . . . . . 963 GLN CG . 51078 1 751 . 1 . 1 89 89 GLN N N 15 119.880 0.019 . 1 . . . . . 963 GLN N . 51078 1 752 . 1 . 1 89 89 GLN NE2 N 15 110.177 0.006 . 1 . . . . . 963 GLN NE2 . 51078 1 753 . 1 . 1 90 90 PHE H H 1 8.360 0.003 . 1 . . . . . 964 PHE H . 51078 1 754 . 1 . 1 90 90 PHE HA H 1 4.411 0.000 . 1 . . . . . 964 PHE HA . 51078 1 755 . 1 . 1 90 90 PHE HB2 H 1 3.196 0.000 . 2 . . . . . 964 PHE HB2 . 51078 1 756 . 1 . 1 90 90 PHE HB3 H 1 3.196 0.000 . 2 . . . . . 964 PHE HB3 . 51078 1 757 . 1 . 1 90 90 PHE C C 13 176.181 0.000 . 1 . . . . . 964 PHE C . 51078 1 758 . 1 . 1 90 90 PHE CA C 13 61.480 0.046 . 1 . . . . . 964 PHE CA . 51078 1 759 . 1 . 1 90 90 PHE CB C 13 39.298 0.021 . 1 . . . . . 964 PHE CB . 51078 1 760 . 1 . 1 90 90 PHE N N 15 121.455 0.082 . 1 . . . . . 964 PHE N . 51078 1 761 . 1 . 1 91 91 GLU H H 1 8.398 0.005 . 1 . . . . . 965 GLU H . 51078 1 762 . 1 . 1 91 91 GLU HA H 1 4.516 0.000 . 1 . . . . . 965 GLU HA . 51078 1 763 . 1 . 1 91 91 GLU HB2 H 1 2.173 0.000 . 2 . . . . . 965 GLU HB2 . 51078 1 764 . 1 . 1 91 91 GLU HB3 H 1 2.173 0.000 . 2 . . . . . 965 GLU HB3 . 51078 1 765 . 1 . 1 91 91 GLU HG2 H 1 2.439 0.000 . 2 . . . . . 965 GLU HG2 . 51078 1 766 . 1 . 1 91 91 GLU HG3 H 1 2.439 0.000 . 2 . . . . . 965 GLU HG3 . 51078 1 767 . 1 . 1 91 91 GLU C C 13 178.901 0.000 . 1 . . . . . 965 GLU C . 51078 1 768 . 1 . 1 91 91 GLU CA C 13 59.455 0.008 . 1 . . . . . 965 GLU CA . 51078 1 769 . 1 . 1 91 91 GLU CB C 13 29.166 0.000 . 1 . . . . . 965 GLU CB . 51078 1 770 . 1 . 1 91 91 GLU CG C 13 34.700 0.000 . 1 . . . . . 965 GLU CG . 51078 1 771 . 1 . 1 91 91 GLU N N 15 120.927 0.053 . 1 . . . . . 965 GLU N . 51078 1 772 . 1 . 1 92 92 GLU H H 1 7.511 0.000 . 1 . . . . . 966 GLU H . 51078 1 773 . 1 . 1 92 92 GLU HA H 1 3.926 0.000 . 1 . . . . . 966 GLU HA . 51078 1 774 . 1 . 1 92 92 GLU HB2 H 1 2.059 0.000 . 2 . . . . . 966 GLU HB2 . 51078 1 775 . 1 . 1 92 92 GLU HB3 H 1 2.059 0.000 . 2 . . . . . 966 GLU HB3 . 51078 1 776 . 1 . 1 92 92 GLU HG2 H 1 2.452 0.000 . 2 . . . . . 966 GLU HG2 . 51078 1 777 . 1 . 1 92 92 GLU HG3 H 1 2.257 0.000 . 2 . . . . . 966 GLU HG3 . 51078 1 778 . 1 . 1 92 92 GLU C C 13 179.265 0.000 . 1 . . . . . 966 GLU C . 51078 1 779 . 1 . 1 92 92 GLU CA C 13 59.517 0.013 . 1 . . . . . 966 GLU CA . 51078 1 780 . 1 . 1 92 92 GLU CB C 13 29.173 0.038 . 1 . . . . . 966 GLU CB . 51078 1 781 . 1 . 1 92 92 GLU CG C 13 36.397 0.000 . 1 . . . . . 966 GLU CG . 51078 1 782 . 1 . 1 92 92 GLU N N 15 116.125 0.070 . 1 . . . . . 966 GLU N . 51078 1 783 . 1 . 1 93 93 VAL H H 1 7.593 0.002 . 1 . . . . . 967 VAL H . 51078 1 784 . 1 . 1 93 93 VAL HA H 1 3.687 0.002 . 1 . . . . . 967 VAL HA . 51078 1 785 . 1 . 1 93 93 VAL HB H 1 2.267 0.000 . 1 . . . . . 967 VAL HB . 51078 1 786 . 1 . 1 93 93 VAL HG11 H 1 0.812 0.000 . 1 . . . . . 967 VAL HG . 51078 1 787 . 1 . 1 93 93 VAL HG12 H 1 0.812 0.000 . 1 . . . . . 967 VAL HG . 51078 1 788 . 1 . 1 93 93 VAL HG13 H 1 0.812 0.000 . 1 . . . . . 967 VAL HG . 51078 1 789 . 1 . 1 93 93 VAL HG21 H 1 0.812 0.000 . 1 . . . . . 967 VAL HG . 51078 1 790 . 1 . 1 93 93 VAL HG22 H 1 0.812 0.000 . 1 . . . . . 967 VAL HG . 51078 1 791 . 1 . 1 93 93 VAL HG23 H 1 0.812 0.000 . 1 . . . . . 967 VAL HG . 51078 1 792 . 1 . 1 93 93 VAL C C 13 177.729 0.000 . 1 . . . . . 967 VAL C . 51078 1 793 . 1 . 1 93 93 VAL CA C 13 66.383 0.025 . 1 . . . . . 967 VAL CA . 51078 1 794 . 1 . 1 93 93 VAL CB C 13 31.114 0.055 . 1 . . . . . 967 VAL CB . 51078 1 795 . 1 . 1 93 93 VAL N N 15 122.063 0.018 . 1 . . . . . 967 VAL N . 51078 1 796 . 1 . 1 94 94 CYS H H 1 8.400 0.002 . 1 . . . . . 968 CYS H . 51078 1 797 . 1 . 1 94 94 CYS HA H 1 3.632 0.000 . 1 . . . . . 968 CYS HA . 51078 1 798 . 1 . 1 94 94 CYS HB2 H 1 3.427 0.000 . 2 . . . . . 968 CYS HB2 . 51078 1 799 . 1 . 1 94 94 CYS HB3 H 1 3.427 0.000 . 2 . . . . . 968 CYS HB3 . 51078 1 800 . 1 . 1 94 94 CYS C C 13 177.847 0.000 . 1 . . . . . 968 CYS C . 51078 1 801 . 1 . 1 94 94 CYS CA C 13 61.747 0.028 . 1 . . . . . 968 CYS CA . 51078 1 802 . 1 . 1 94 94 CYS CB C 13 44.980 0.122 . 1 . . . . . 968 CYS CB . 51078 1 803 . 1 . 1 94 94 CYS N N 15 118.966 0.072 . 1 . . . . . 968 CYS N . 51078 1 804 . 1 . 1 95 95 ILE H H 1 8.335 0.003 . 1 . . . . . 969 ILE H . 51078 1 805 . 1 . 1 95 95 ILE HA H 1 3.299 0.019 . 1 . . . . . 969 ILE HA . 51078 1 806 . 1 . 1 95 95 ILE HB H 1 1.656 0.000 . 1 . . . . . 969 ILE HB . 51078 1 807 . 1 . 1 95 95 ILE HG21 H 1 0.711 0.000 . 1 . . . . . 969 ILE HG2 . 51078 1 808 . 1 . 1 95 95 ILE HG22 H 1 0.711 0.000 . 1 . . . . . 969 ILE HG2 . 51078 1 809 . 1 . 1 95 95 ILE HG23 H 1 0.711 0.000 . 1 . . . . . 969 ILE HG2 . 51078 1 810 . 1 . 1 95 95 ILE C C 13 179.223 0.000 . 1 . . . . . 969 ILE C . 51078 1 811 . 1 . 1 95 95 ILE CA C 13 65.312 0.058 . 1 . . . . . 969 ILE CA . 51078 1 812 . 1 . 1 95 95 ILE CB C 13 38.060 0.040 . 1 . . . . . 969 ILE CB . 51078 1 813 . 1 . 1 95 95 ILE CG1 C 13 29.348 0.000 . 1 . . . . . 969 ILE CG1 . 51078 1 814 . 1 . 1 95 95 ILE CG2 C 13 17.077 0.000 . 1 . . . . . 969 ILE CG2 . 51078 1 815 . 1 . 1 95 95 ILE CD1 C 13 13.442 0.000 . 1 . . . . . 969 ILE CD1 . 51078 1 816 . 1 . 1 95 95 ILE N N 15 123.911 0.078 . 1 . . . . . 969 ILE N . 51078 1 817 . 1 . 1 96 96 GLN H H 1 8.311 0.002 . 1 . . . . . 970 GLN H . 51078 1 818 . 1 . 1 96 96 GLN HA H 1 3.872 0.000 . 1 . . . . . 970 GLN HA . 51078 1 819 . 1 . 1 96 96 GLN HB2 H 1 2.151 0.000 . 2 . . . . . 970 GLN HB2 . 51078 1 820 . 1 . 1 96 96 GLN HB3 H 1 2.151 0.000 . 2 . . . . . 970 GLN HB3 . 51078 1 821 . 1 . 1 96 96 GLN HG2 H 1 2.407 0.000 . 2 . . . . . 970 GLN HG2 . 51078 1 822 . 1 . 1 96 96 GLN HG3 H 1 2.407 0.000 . 2 . . . . . 970 GLN HG3 . 51078 1 823 . 1 . 1 96 96 GLN HE21 H 1 7.434 0.000 . 2 . . . . . 970 GLN HE21 . 51078 1 824 . 1 . 1 96 96 GLN HE22 H 1 6.723 0.000 . 2 . . . . . 970 GLN HE22 . 51078 1 825 . 1 . 1 96 96 GLN C C 13 178.191 0.000 . 1 . . . . . 970 GLN C . 51078 1 826 . 1 . 1 96 96 GLN CA C 13 59.132 0.023 . 1 . . . . . 970 GLN CA . 51078 1 827 . 1 . 1 96 96 GLN CB C 13 28.568 0.106 . 1 . . . . . 970 GLN CB . 51078 1 828 . 1 . 1 96 96 GLN CG C 13 33.728 0.000 . 1 . . . . . 970 GLN CG . 51078 1 829 . 1 . 1 96 96 GLN N N 15 121.841 0.084 . 1 . . . . . 970 GLN N . 51078 1 830 . 1 . 1 96 96 GLN NE2 N 15 110.831 0.000 . 1 . . . . . 970 GLN NE2 . 51078 1 831 . 1 . 1 97 97 LEU H H 1 8.288 0.003 . 1 . . . . . 971 LEU H . 51078 1 832 . 1 . 1 97 97 LEU HA H 1 4.246 0.000 . 1 . . . . . 971 LEU HA . 51078 1 833 . 1 . 1 97 97 LEU HB2 H 1 1.570 0.000 . 2 . . . . . 971 LEU HB2 . 51078 1 834 . 1 . 1 97 97 LEU HB3 H 1 1.104 0.000 . 2 . . . . . 971 LEU HB3 . 51078 1 835 . 1 . 1 97 97 LEU HD11 H 1 0.733 0.000 . 2 . . . . . 971 LEU HD1 . 51078 1 836 . 1 . 1 97 97 LEU HD12 H 1 0.733 0.000 . 2 . . . . . 971 LEU HD1 . 51078 1 837 . 1 . 1 97 97 LEU HD13 H 1 0.733 0.000 . 2 . . . . . 971 LEU HD1 . 51078 1 838 . 1 . 1 97 97 LEU HD21 H 1 0.733 0.000 . 2 . . . . . 971 LEU HD2 . 51078 1 839 . 1 . 1 97 97 LEU HD22 H 1 0.733 0.000 . 2 . . . . . 971 LEU HD2 . 51078 1 840 . 1 . 1 97 97 LEU HD23 H 1 0.733 0.000 . 2 . . . . . 971 LEU HD2 . 51078 1 841 . 1 . 1 97 97 LEU C C 13 178.396 0.000 . 1 . . . . . 971 LEU C . 51078 1 842 . 1 . 1 97 97 LEU CA C 13 56.766 0.018 . 1 . . . . . 971 LEU CA . 51078 1 843 . 1 . 1 97 97 LEU CB C 13 43.412 0.121 . 1 . . . . . 971 LEU CB . 51078 1 844 . 1 . 1 97 97 LEU CG C 13 25.787 0.000 . 1 . . . . . 971 LEU CG . 51078 1 845 . 1 . 1 97 97 LEU CD1 C 13 22.321 0.000 . 2 . . . . . 971 LEU CD1 . 51078 1 846 . 1 . 1 97 97 LEU CD2 C 13 22.321 0.000 . 2 . . . . . 971 LEU CD2 . 51078 1 847 . 1 . 1 97 97 LEU N N 15 114.699 0.147 . 1 . . . . . 971 LEU N . 51078 1 848 . 1 . 1 98 98 THR H H 1 8.192 0.004 . 1 . . . . . 972 THR H . 51078 1 849 . 1 . 1 98 98 THR HA H 1 4.539 0.000 . 1 . . . . . 972 THR HA . 51078 1 850 . 1 . 1 98 98 THR HB H 1 4.144 0.000 . 1 . . . . . 972 THR HB . 51078 1 851 . 1 . 1 98 98 THR HG21 H 1 0.750 0.000 . 1 . . . . . 972 THR HG2 . 51078 1 852 . 1 . 1 98 98 THR HG22 H 1 0.750 0.000 . 1 . . . . . 972 THR HG2 . 51078 1 853 . 1 . 1 98 98 THR HG23 H 1 0.750 0.000 . 1 . . . . . 972 THR HG2 . 51078 1 854 . 1 . 1 98 98 THR C C 13 175.413 0.000 . 1 . . . . . 972 THR C . 51078 1 855 . 1 . 1 98 98 THR CA C 13 61.572 0.052 . 1 . . . . . 972 THR CA . 51078 1 856 . 1 . 1 98 98 THR CB C 13 72.245 0.073 . 1 . . . . . 972 THR CB . 51078 1 857 . 1 . 1 98 98 THR CG2 C 13 20.897 0.000 . 1 . . . . . 972 THR CG2 . 51078 1 858 . 1 . 1 98 98 THR N N 15 105.801 0.034 . 1 . . . . . 972 THR N . 51078 1 859 . 1 . 1 99 99 GLY H H 1 8.254 0.001 . 1 . . . . . 973 GLY H . 51078 1 860 . 1 . 1 99 99 GLY HA2 H 1 4.322 0.000 . 2 . . . . . 973 GLY HA2 . 51078 1 861 . 1 . 1 99 99 GLY HA3 H 1 3.736 0.000 . 2 . . . . . 973 GLY HA3 . 51078 1 862 . 1 . 1 99 99 GLY C C 13 172.731 0.000 . 1 . . . . . 973 GLY C . 51078 1 863 . 1 . 1 99 99 GLY CA C 13 45.641 0.066 . 1 . . . . . 973 GLY CA . 51078 1 864 . 1 . 1 99 99 GLY N N 15 112.084 0.029 . 1 . . . . . 973 GLY N . 51078 1 865 . 1 . 1 100 100 ARG H H 1 7.933 0.008 . 1 . . . . . 974 ARG H . 51078 1 866 . 1 . 1 100 100 ARG HA H 1 4.543 0.000 . 1 . . . . . 974 ARG HA . 51078 1 867 . 1 . 1 100 100 ARG HB2 H 1 1.609 0.000 . 2 . . . . . 974 ARG HB2 . 51078 1 868 . 1 . 1 100 100 ARG HB3 H 1 1.609 0.000 . 2 . . . . . 974 ARG HB3 . 51078 1 869 . 1 . 1 100 100 ARG HG2 H 1 1.544 0.000 . 2 . . . . . 974 ARG HG2 . 51078 1 870 . 1 . 1 100 100 ARG HG3 H 1 1.544 0.000 . 2 . . . . . 974 ARG HG3 . 51078 1 871 . 1 . 1 100 100 ARG HD2 H 1 3.061 0.000 . 2 . . . . . 974 ARG HD2 . 51078 1 872 . 1 . 1 100 100 ARG HD3 H 1 3.061 0.000 . 2 . . . . . 974 ARG HD3 . 51078 1 873 . 1 . 1 100 100 ARG C C 13 173.130 0.000 . 1 . . . . . 974 ARG C . 51078 1 874 . 1 . 1 100 100 ARG CA C 13 54.422 0.029 . 1 . . . . . 974 ARG CA . 51078 1 875 . 1 . 1 100 100 ARG CB C 13 33.338 0.065 . 1 . . . . . 974 ARG CB . 51078 1 876 . 1 . 1 100 100 ARG CG C 13 26.051 0.000 . 1 . . . . . 974 ARG CG . 51078 1 877 . 1 . 1 100 100 ARG CD C 13 43.431 0.000 . 1 . . . . . 974 ARG CD . 51078 1 878 . 1 . 1 100 100 ARG N N 15 119.788 0.065 . 1 . . . . . 974 ARG N . 51078 1 879 . 1 . 1 101 101 GLY H H 1 8.074 0.002 . 1 . . . . . 975 GLY H . 51078 1 880 . 1 . 1 101 101 GLY HA2 H 1 3.888 0.000 . 2 . . . . . 975 GLY HA2 . 51078 1 881 . 1 . 1 101 101 GLY HA3 H 1 3.888 0.000 . 2 . . . . . 975 GLY HA3 . 51078 1 882 . 1 . 1 101 101 GLY C C 13 174.686 0.000 . 1 . . . . . 975 GLY C . 51078 1 883 . 1 . 1 101 101 GLY CA C 13 45.034 0.037 . 1 . . . . . 975 GLY CA . 51078 1 884 . 1 . 1 101 101 GLY N N 15 102.884 0.033 . 1 . . . . . 975 GLY N . 51078 1 885 . 1 . 1 102 102 CYS H H 1 9.312 0.034 . 1 . . . . . 976 CYS H . 51078 1 886 . 1 . 1 102 102 CYS HA H 1 4.449 0.000 . 1 . . . . . 976 CYS HA . 51078 1 887 . 1 . 1 102 102 CYS HB2 H 1 2.937 0.000 . 2 . . . . . 976 CYS HB2 . 51078 1 888 . 1 . 1 102 102 CYS HB3 H 1 2.937 0.000 . 2 . . . . . 976 CYS HB3 . 51078 1 889 . 1 . 1 102 102 CYS C C 13 174.760 0.000 . 1 . . . . . 976 CYS C . 51078 1 890 . 1 . 1 102 102 CYS CA C 13 57.447 0.046 . 1 . . . . . 976 CYS CA . 51078 1 891 . 1 . 1 102 102 CYS CB C 13 29.230 0.000 . 1 . . . . . 976 CYS CB . 51078 1 892 . 1 . 1 102 102 CYS N N 15 118.242 0.025 . 1 . . . . . 976 CYS N . 51078 1 893 . 1 . 1 103 103 GLY H H 1 8.826 0.000 . 1 . . . . . 977 GLY H . 51078 1 894 . 1 . 1 103 103 GLY HA2 H 1 3.554 0.000 . 2 . . . . . 977 GLY HA2 . 51078 1 895 . 1 . 1 103 103 GLY HA3 H 1 3.426 0.000 . 2 . . . . . 977 GLY HA3 . 51078 1 896 . 1 . 1 103 103 GLY C C 13 172.877 0.000 . 1 . . . . . 977 GLY C . 51078 1 897 . 1 . 1 103 103 GLY CA C 13 45.298 0.035 . 1 . . . . . 977 GLY CA . 51078 1 898 . 1 . 1 103 103 GLY N N 15 108.403 0.042 . 1 . . . . . 977 GLY N . 51078 1 899 . 1 . 1 104 104 TYR H H 1 7.370 0.001 . 1 . . . . . 978 TYR H . 51078 1 900 . 1 . 1 104 104 TYR HA H 1 4.198 0.000 . 1 . . . . . 978 TYR HA . 51078 1 901 . 1 . 1 104 104 TYR HB2 H 1 2.865 0.000 . 2 . . . . . 978 TYR HB2 . 51078 1 902 . 1 . 1 104 104 TYR HB3 H 1 2.566 0.000 . 2 . . . . . 978 TYR HB3 . 51078 1 903 . 1 . 1 104 104 TYR C C 13 180.293 0.000 . 1 . . . . . 978 TYR C . 51078 1 904 . 1 . 1 104 104 TYR CA C 13 59.118 0.000 . 1 . . . . . 978 TYR CA . 51078 1 905 . 1 . 1 104 104 TYR CB C 13 39.484 0.000 . 1 . . . . . 978 TYR CB . 51078 1 906 . 1 . 1 104 104 TYR N N 15 124.766 0.014 . 1 . . . . . 978 TYR N . 51078 1 stop_ save_