data_30985 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30985 _Entry.Title ; Solution structure of the phosphatidylinositol 3-phosphate binding domain from the Legionella effector SetA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-01-24 _Entry.Accession_date 2022-01-24 _Entry.Last_release_date 2022-02-21 _Entry.Original_release_date 2022-02-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 W. Beck W. H.J. . . 30985 2 T. Enoki T. A. . . 30985 3 G. Feigenson G. W. . . 30985 4 L. Nicholson L. . . . 30985 5 R. Oswald R. . . . 30985 6 Y. Mao Y. . . . 30985 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'LIPID BINDING PROTEIN' . 30985 'SetA membrane interacting motif' . 30985 phosphatidylinositol-3-phosphate . 30985 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30985 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 467 30985 '15N chemical shifts' 122 30985 '1H chemical shifts' 797 30985 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 . . 2023-01-31 . original BMRB . 30985 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7TOD 'BMRB Entry Tracking System' 30985 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30985 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution structure of the phosphatidylinositol 3-phosphate binding domain from the Legionella effector SetA ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 W. Beck W. H.J. . . 30985 1 2 T. Enoki T. A. . . 30985 1 3 G. Feigenson G. W. . . 30985 1 4 L. Nicholson L. . . . 30985 1 5 R. Oswald R. . . . 30985 1 6 Y. Mao Y. . . . 30985 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30985 _Assembly.ID 1 _Assembly.Name 'Subversion of eukaryotic traffic protein A' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 30985 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30985 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SDEKIKTAHDLIDEIIQDVI QLDGKLGLLGGNTRQLEDGR VINIPNGAAMIFDDYKKYKQ GELTAESALESMIKIAKLSN QLNRHTFFNQRQPETGQFYK KVAAIDLQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'C-terminal domain, residues 522-629' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12192.811 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID SetA common 30985 1 stop_ 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 . SER . 30985 1 2 . ASP . 30985 1 3 . GLU . 30985 1 4 . LYS . 30985 1 5 . ILE . 30985 1 6 . LYS . 30985 1 7 . THR . 30985 1 8 . ALA . 30985 1 9 . HIS . 30985 1 10 . ASP . 30985 1 11 . LEU . 30985 1 12 . ILE . 30985 1 13 . ASP . 30985 1 14 . GLU . 30985 1 15 . ILE . 30985 1 16 . ILE . 30985 1 17 . GLN . 30985 1 18 . ASP . 30985 1 19 . VAL . 30985 1 20 . ILE . 30985 1 21 . GLN . 30985 1 22 . LEU . 30985 1 23 . ASP . 30985 1 24 . GLY . 30985 1 25 . LYS . 30985 1 26 . LEU . 30985 1 27 . GLY . 30985 1 28 . LEU . 30985 1 29 . LEU . 30985 1 30 . GLY . 30985 1 31 . GLY . 30985 1 32 . ASN . 30985 1 33 . THR . 30985 1 34 . ARG . 30985 1 35 . GLN . 30985 1 36 . LEU . 30985 1 37 . GLU . 30985 1 38 . ASP . 30985 1 39 . GLY . 30985 1 40 . ARG . 30985 1 41 . VAL . 30985 1 42 . ILE . 30985 1 43 . ASN . 30985 1 44 . ILE . 30985 1 45 . PRO . 30985 1 46 . ASN . 30985 1 47 . GLY . 30985 1 48 . ALA . 30985 1 49 . ALA . 30985 1 50 . MET . 30985 1 51 . ILE . 30985 1 52 . PHE . 30985 1 53 . ASP . 30985 1 54 . ASP . 30985 1 55 . TYR . 30985 1 56 . LYS . 30985 1 57 . LYS . 30985 1 58 . TYR . 30985 1 59 . LYS . 30985 1 60 . GLN . 30985 1 61 . GLY . 30985 1 62 . GLU . 30985 1 63 . LEU . 30985 1 64 . THR . 30985 1 65 . ALA . 30985 1 66 . GLU . 30985 1 67 . SER . 30985 1 68 . ALA . 30985 1 69 . LEU . 30985 1 70 . GLU . 30985 1 71 . SER . 30985 1 72 . MET . 30985 1 73 . ILE . 30985 1 74 . LYS . 30985 1 75 . ILE . 30985 1 76 . ALA . 30985 1 77 . LYS . 30985 1 78 . LEU . 30985 1 79 . SER . 30985 1 80 . ASN . 30985 1 81 . GLN . 30985 1 82 . LEU . 30985 1 83 . ASN . 30985 1 84 . ARG . 30985 1 85 . HIS . 30985 1 86 . THR . 30985 1 87 . PHE . 30985 1 88 . PHE . 30985 1 89 . ASN . 30985 1 90 . GLN . 30985 1 91 . ARG . 30985 1 92 . GLN . 30985 1 93 . PRO . 30985 1 94 . GLU . 30985 1 95 . THR . 30985 1 96 . GLY . 30985 1 97 . GLN . 30985 1 98 . PHE . 30985 1 99 . TYR . 30985 1 100 . LYS . 30985 1 101 . LYS . 30985 1 102 . VAL . 30985 1 103 . ALA . 30985 1 104 . ALA . 30985 1 105 . ILE . 30985 1 106 . ASP . 30985 1 107 . LEU . 30985 1 108 . GLN . 30985 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 . SER 1 1 30985 1 . ASP 2 2 30985 1 . GLU 3 3 30985 1 . LYS 4 4 30985 1 . ILE 5 5 30985 1 . LYS 6 6 30985 1 . THR 7 7 30985 1 . ALA 8 8 30985 1 . HIS 9 9 30985 1 . ASP 10 10 30985 1 . LEU 11 11 30985 1 . ILE 12 12 30985 1 . ASP 13 13 30985 1 . GLU 14 14 30985 1 . ILE 15 15 30985 1 . ILE 16 16 30985 1 . GLN 17 17 30985 1 . ASP 18 18 30985 1 . VAL 19 19 30985 1 . ILE 20 20 30985 1 . GLN 21 21 30985 1 . LEU 22 22 30985 1 . ASP 23 23 30985 1 . GLY 24 24 30985 1 . LYS 25 25 30985 1 . LEU 26 26 30985 1 . GLY 27 27 30985 1 . LEU 28 28 30985 1 . LEU 29 29 30985 1 . GLY 30 30 30985 1 . GLY 31 31 30985 1 . ASN 32 32 30985 1 . THR 33 33 30985 1 . ARG 34 34 30985 1 . GLN 35 35 30985 1 . LEU 36 36 30985 1 . GLU 37 37 30985 1 . ASP 38 38 30985 1 . GLY 39 39 30985 1 . ARG 40 40 30985 1 . VAL 41 41 30985 1 . ILE 42 42 30985 1 . ASN 43 43 30985 1 . ILE 44 44 30985 1 . PRO 45 45 30985 1 . ASN 46 46 30985 1 . GLY 47 47 30985 1 . ALA 48 48 30985 1 . ALA 49 49 30985 1 . MET 50 50 30985 1 . ILE 51 51 30985 1 . PHE 52 52 30985 1 . ASP 53 53 30985 1 . ASP 54 54 30985 1 . TYR 55 55 30985 1 . LYS 56 56 30985 1 . LYS 57 57 30985 1 . TYR 58 58 30985 1 . LYS 59 59 30985 1 . GLN 60 60 30985 1 . GLY 61 61 30985 1 . GLU 62 62 30985 1 . LEU 63 63 30985 1 . THR 64 64 30985 1 . ALA 65 65 30985 1 . GLU 66 66 30985 1 . SER 67 67 30985 1 . ALA 68 68 30985 1 . LEU 69 69 30985 1 . GLU 70 70 30985 1 . SER 71 71 30985 1 . MET 72 72 30985 1 . ILE 73 73 30985 1 . LYS 74 74 30985 1 . ILE 75 75 30985 1 . ALA 76 76 30985 1 . LYS 77 77 30985 1 . LEU 78 78 30985 1 . SER 79 79 30985 1 . ASN 80 80 30985 1 . GLN 81 81 30985 1 . LEU 82 82 30985 1 . ASN 83 83 30985 1 . ARG 84 84 30985 1 . HIS 85 85 30985 1 . THR 86 86 30985 1 . PHE 87 87 30985 1 . PHE 88 88 30985 1 . ASN 89 89 30985 1 . GLN 90 90 30985 1 . ARG 91 91 30985 1 . GLN 92 92 30985 1 . PRO 93 93 30985 1 . GLU 94 94 30985 1 . THR 95 95 30985 1 . GLY 96 96 30985 1 . GLN 97 97 30985 1 . PHE 98 98 30985 1 . TYR 99 99 30985 1 . LYS 100 100 30985 1 . LYS 101 101 30985 1 . VAL 102 102 30985 1 . ALA 103 103 30985 1 . ALA 104 104 30985 1 . ILE 105 105 30985 1 . ASP 106 106 30985 1 . LEU 107 107 30985 1 . GLN 108 108 30985 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30985 _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 . 446 organism . 'Legionella pneumophila' 'Legionella pneumophila' . . Bacteria . Legionella pneumophila . . . . . . . . . . . C3927_09165 . 30985 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30985 _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 'BL21-Gold(DE3)pLysS AG'" . . 866768 . . . . . . . . . . . . 30985 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30985 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '6 mg/mL [U-100% 13C; U-100% 15N; U-80% 2H] protein, 20 mM sodium phosphate buffer, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 6 . . mg/mL 0.3 . . . 30985 1 2 'sodium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 30985 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 30985 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 30985 1 pH 6.0 0.2 pH 30985 1 pressure 1 . atm 30985 1 temperature 298 0.2 K 30985 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30985 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30985 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30985 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30985 _Software.ID 2 _Software.Type . _Software.Name PONDEROSA-C/S _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Woonghee Lee' . . 30985 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30985 2 'structure calculation' . 30985 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30985 _Software.ID 3 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30985 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30985 3 'peak picking' . 30985 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 30985 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30985 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 500 . . . 30985 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30985 _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 . . . . . . . . . . . . . . . . . 30985 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30985 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30985 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30985 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30985 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30985 1 7 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30985 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30985 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30985 1 10 '3D 1H-15N-NOESYHSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30985 1 11 '3D 1H-13C-NOESYHSQC (aromatic)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30985 1 12 '3D 1H-13C-NOESYHSQC (aliphatic)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30985 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 30985 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 30985 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30985 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30985 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 30985 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30985 1 2 '2D 1H-13C HSQC' . . . 30985 1 3 '3D HNCO' . . . 30985 1 4 '3D HN(CO)CA' . . . 30985 1 5 '3D HNCA' . . . 30985 1 6 '3D HNCACB' . . . 30985 1 7 '3D HCACO' . . . 30985 1 8 '3D CBCA(CO)NH' . . . 30985 1 9 '3D HCCH-TOCSY' . . . 30985 1 10 '3D 1H-15N-NOESYHSQC' . . . 30985 1 11 '3D 1H-13C-NOESYHSQC (aromatic)' . . . 30985 1 12 '3D 1H-13C-NOESYHSQC (aliphatic)' . . . 30985 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ASP HA H 1 4.652 0.011 . . . . . . A 2 ASP HA . 30985 1 2 . 1 . 1 2 2 ASP HB2 H 1 2.748 0.011 . . . . . . A 2 ASP HB2 . 30985 1 3 . 1 . 1 2 2 ASP HB3 H 1 2.611 0.009 . . . . . . A 2 ASP HB3 . 30985 1 4 . 1 . 1 2 2 ASP C C 13 175.904 0.000 . . . . . . A 2 ASP C . 30985 1 5 . 1 . 1 2 2 ASP CA C 13 54.762 0.088 . . . . . . A 2 ASP CA . 30985 1 6 . 1 . 1 2 2 ASP CB C 13 41.396 0.144 . . . . . . A 2 ASP CB . 30985 1 7 . 1 . 1 3 3 GLU H H 1 8.519 0.004 . . . . . . A 3 GLU H . 30985 1 8 . 1 . 1 3 3 GLU HA H 1 4.236 0.008 . . . . . . A 3 GLU HA . 30985 1 9 . 1 . 1 3 3 GLU HB2 H 1 2.014 0.029 . . . . . . A 3 GLU HB2 . 30985 1 10 . 1 . 1 3 3 GLU HB3 H 1 1.921 0.010 . . . . . . A 3 GLU HB3 . 30985 1 11 . 1 . 1 3 3 GLU HG2 H 1 2.267 0.010 . . . . . . A 3 GLU HG2 . 30985 1 12 . 1 . 1 3 3 GLU HG3 H 1 2.267 0.010 . . . . . . A 3 GLU HG3 . 30985 1 13 . 1 . 1 3 3 GLU C C 13 176.468 0.000 . . . . . . A 3 GLU C . 30985 1 14 . 1 . 1 3 3 GLU CA C 13 57.028 0.046 . . . . . . A 3 GLU CA . 30985 1 15 . 1 . 1 3 3 GLU CB C 13 30.132 0.200 . . . . . . A 3 GLU CB . 30985 1 16 . 1 . 1 3 3 GLU CG C 13 36.324 0.186 . . . . . . A 3 GLU CG . 30985 1 17 . 1 . 1 3 3 GLU N N 15 121.382 0.044 . . . . . . A 3 GLU N . 30985 1 18 . 1 . 1 4 4 LYS H H 1 8.375 0.002 . . . . . . A 4 LYS H . 30985 1 19 . 1 . 1 4 4 LYS HA H 1 4.313 0.009 . . . . . . A 4 LYS HA . 30985 1 20 . 1 . 1 4 4 LYS HB2 H 1 1.786 0.004 . . . . . . A 4 LYS HB2 . 30985 1 21 . 1 . 1 4 4 LYS HB3 H 1 1.786 0.004 . . . . . . A 4 LYS HB3 . 30985 1 22 . 1 . 1 4 4 LYS HG2 H 1 1.405 0.008 . . . . . . A 4 LYS HG2 . 30985 1 23 . 1 . 1 4 4 LYS HG3 H 1 1.405 0.008 . . . . . . A 4 LYS HG3 . 30985 1 24 . 1 . 1 4 4 LYS HD2 H 1 1.685 0.012 . . . . . . A 4 LYS HD2 . 30985 1 25 . 1 . 1 4 4 LYS HD3 H 1 1.685 0.012 . . . . . . A 4 LYS HD3 . 30985 1 26 . 1 . 1 4 4 LYS HE2 H 1 2.993 0.023 . . . . . . A 4 LYS HE2 . 30985 1 27 . 1 . 1 4 4 LYS HE3 H 1 2.993 0.023 . . . . . . A 4 LYS HE3 . 30985 1 28 . 1 . 1 4 4 LYS C C 13 176.413 0.000 . . . . . . A 4 LYS C . 30985 1 29 . 1 . 1 4 4 LYS CA C 13 56.414 0.084 . . . . . . A 4 LYS CA . 30985 1 30 . 1 . 1 4 4 LYS CB C 13 33.170 0.101 . . . . . . A 4 LYS CB . 30985 1 31 . 1 . 1 4 4 LYS CG C 13 24.933 0.076 . . . . . . A 4 LYS CG . 30985 1 32 . 1 . 1 4 4 LYS CD C 13 29.257 0.006 . . . . . . A 4 LYS CD . 30985 1 33 . 1 . 1 4 4 LYS CE C 13 42.399 0.000 . . . . . . A 4 LYS CE . 30985 1 34 . 1 . 1 4 4 LYS N N 15 122.422 0.024 . . . . . . A 4 LYS N . 30985 1 35 . 1 . 1 5 5 ILE H H 1 8.170 0.005 . . . . . . A 5 ILE H . 30985 1 36 . 1 . 1 5 5 ILE HA H 1 4.133 0.007 . . . . . . A 5 ILE HA . 30985 1 37 . 1 . 1 5 5 ILE HB H 1 1.845 0.006 . . . . . . A 5 ILE HB . 30985 1 38 . 1 . 1 5 5 ILE HG12 H 1 1.485 0.007 . . . . . . A 5 ILE HG12 . 30985 1 39 . 1 . 1 5 5 ILE HG13 H 1 1.196 0.008 . . . . . . A 5 ILE HG13 . 30985 1 40 . 1 . 1 5 5 ILE HG21 H 1 0.893 0.007 . . . . . . A 5 ILE HG21 . 30985 1 41 . 1 . 1 5 5 ILE HG22 H 1 0.893 0.007 . . . . . . A 5 ILE HG22 . 30985 1 42 . 1 . 1 5 5 ILE HG23 H 1 0.893 0.007 . . . . . . A 5 ILE HG23 . 30985 1 43 . 1 . 1 5 5 ILE HD11 H 1 0.857 0.005 . . . . . . A 5 ILE HD11 . 30985 1 44 . 1 . 1 5 5 ILE HD12 H 1 0.857 0.005 . . . . . . A 5 ILE HD12 . 30985 1 45 . 1 . 1 5 5 ILE HD13 H 1 0.857 0.005 . . . . . . A 5 ILE HD13 . 30985 1 46 . 1 . 1 5 5 ILE C C 13 176.241 0.000 . . . . . . A 5 ILE C . 30985 1 47 . 1 . 1 5 5 ILE CA C 13 61.257 0.151 . . . . . . A 5 ILE CA . 30985 1 48 . 1 . 1 5 5 ILE CB C 13 38.593 0.143 . . . . . . A 5 ILE CB . 30985 1 49 . 1 . 1 5 5 ILE CG1 C 13 27.454 0.066 . . . . . . A 5 ILE CG1 . 30985 1 50 . 1 . 1 5 5 ILE CG2 C 13 17.562 0.104 . . . . . . A 5 ILE CG2 . 30985 1 51 . 1 . 1 5 5 ILE CD1 C 13 12.730 0.044 . . . . . . A 5 ILE CD1 . 30985 1 52 . 1 . 1 5 5 ILE N N 15 123.002 0.018 . . . . . . A 5 ILE N . 30985 1 53 . 1 . 1 6 6 LYS H H 1 8.378 0.003 . . . . . . A 6 LYS H . 30985 1 54 . 1 . 1 6 6 LYS HA H 1 4.563 0.008 . . . . . . A 6 LYS HA . 30985 1 55 . 1 . 1 6 6 LYS HB2 H 1 1.777 0.006 . . . . . . A 6 LYS HB2 . 30985 1 56 . 1 . 1 6 6 LYS HB3 H 1 1.732 0.009 . . . . . . A 6 LYS HB3 . 30985 1 57 . 1 . 1 6 6 LYS HG2 H 1 1.528 0.004 . . . . . . A 6 LYS HG2 . 30985 1 58 . 1 . 1 6 6 LYS HG3 H 1 1.414 0.005 . . . . . . A 6 LYS HG3 . 30985 1 59 . 1 . 1 6 6 LYS HD2 H 1 1.647 0.008 . . . . . . A 6 LYS HD2 . 30985 1 60 . 1 . 1 6 6 LYS HD3 H 1 1.647 0.008 . . . . . . A 6 LYS HD3 . 30985 1 61 . 1 . 1 6 6 LYS HE2 H 1 2.939 0.009 . . . . . . A 6 LYS HE2 . 30985 1 62 . 1 . 1 6 6 LYS HE3 H 1 2.939 0.009 . . . . . . A 6 LYS HE3 . 30985 1 63 . 1 . 1 6 6 LYS C C 13 176.695 0.000 . . . . . . A 6 LYS C . 30985 1 64 . 1 . 1 6 6 LYS CA C 13 56.351 0.050 . . . . . . A 6 LYS CA . 30985 1 65 . 1 . 1 6 6 LYS CB C 13 33.942 0.052 . . . . . . A 6 LYS CB . 30985 1 66 . 1 . 1 6 6 LYS CG C 13 25.592 0.045 . . . . . . A 6 LYS CG . 30985 1 67 . 1 . 1 6 6 LYS CD C 13 29.900 0.000 . . . . . . A 6 LYS CD . 30985 1 68 . 1 . 1 6 6 LYS CE C 13 42.272 0.062 . . . . . . A 6 LYS CE . 30985 1 69 . 1 . 1 6 6 LYS N N 15 126.164 0.025 . . . . . . A 6 LYS N . 30985 1 70 . 1 . 1 7 7 THR H H 1 8.760 0.004 . . . . . . A 7 THR H . 30985 1 71 . 1 . 1 7 7 THR HA H 1 4.484 0.022 . . . . . . A 7 THR HA . 30985 1 72 . 1 . 1 7 7 THR HB H 1 4.659 0.016 . . . . . . A 7 THR HB . 30985 1 73 . 1 . 1 7 7 THR HG21 H 1 1.349 0.005 . . . . . . A 7 THR HG21 . 30985 1 74 . 1 . 1 7 7 THR HG22 H 1 1.349 0.005 . . . . . . A 7 THR HG22 . 30985 1 75 . 1 . 1 7 7 THR HG23 H 1 1.349 0.005 . . . . . . A 7 THR HG23 . 30985 1 76 . 1 . 1 7 7 THR C C 13 175.429 0.000 . . . . . . A 7 THR C . 30985 1 77 . 1 . 1 7 7 THR CA C 13 60.661 0.079 . . . . . . A 7 THR CA . 30985 1 78 . 1 . 1 7 7 THR CB C 13 72.000 0.000 . . . . . . A 7 THR CB . 30985 1 79 . 1 . 1 7 7 THR CG2 C 13 21.840 0.016 . . . . . . A 7 THR CG2 . 30985 1 80 . 1 . 1 7 7 THR N N 15 113.755 0.034 . . . . . . A 7 THR N . 30985 1 81 . 1 . 1 8 8 ALA H H 1 9.055 0.008 . . . . . . A 8 ALA H . 30985 1 82 . 1 . 1 8 8 ALA HA H 1 4.023 0.011 . . . . . . A 8 ALA HA . 30985 1 83 . 1 . 1 8 8 ALA HB1 H 1 1.284 0.007 . . . . . . A 8 ALA HB1 . 30985 1 84 . 1 . 1 8 8 ALA HB2 H 1 1.284 0.007 . . . . . . A 8 ALA HB2 . 30985 1 85 . 1 . 1 8 8 ALA HB3 H 1 1.284 0.007 . . . . . . A 8 ALA HB3 . 30985 1 86 . 1 . 1 8 8 ALA C C 13 178.758 0.000 . . . . . . A 8 ALA C . 30985 1 87 . 1 . 1 8 8 ALA CA C 13 55.677 0.159 . . . . . . A 8 ALA CA . 30985 1 88 . 1 . 1 8 8 ALA CB C 13 17.882 0.004 . . . . . . A 8 ALA CB . 30985 1 89 . 1 . 1 8 8 ALA N N 15 122.613 0.061 . . . . . . A 8 ALA N . 30985 1 90 . 1 . 1 9 9 HIS H H 1 8.224 0.007 . . . . . . A 9 HIS H . 30985 1 91 . 1 . 1 9 9 HIS HA H 1 3.935 0.008 . . . . . . A 9 HIS HA . 30985 1 92 . 1 . 1 9 9 HIS HB2 H 1 3.252 0.011 . . . . . . A 9 HIS HB2 . 30985 1 93 . 1 . 1 9 9 HIS HB3 H 1 3.176 0.008 . . . . . . A 9 HIS HB3 . 30985 1 94 . 1 . 1 9 9 HIS HD2 H 1 7.350 0.007 . . . . . . A 9 HIS HD2 . 30985 1 95 . 1 . 1 9 9 HIS C C 13 176.715 0.000 . . . . . . A 9 HIS C . 30985 1 96 . 1 . 1 9 9 HIS CA C 13 59.499 0.029 . . . . . . A 9 HIS CA . 30985 1 97 . 1 . 1 9 9 HIS CB C 13 29.244 0.012 . . . . . . A 9 HIS CB . 30985 1 98 . 1 . 1 9 9 HIS N N 15 113.971 0.058 . . . . . . A 9 HIS N . 30985 1 99 . 1 . 1 10 10 ASP H H 1 7.584 0.007 . . . . . . A 10 ASP H . 30985 1 100 . 1 . 1 10 10 ASP HA H 1 4.381 0.015 . . . . . . A 10 ASP HA . 30985 1 101 . 1 . 1 10 10 ASP HB2 H 1 2.912 0.018 . . . . . . A 10 ASP HB2 . 30985 1 102 . 1 . 1 10 10 ASP HB3 H 1 2.763 0.022 . . . . . . A 10 ASP HB3 . 30985 1 103 . 1 . 1 10 10 ASP C C 13 179.090 0.000 . . . . . . A 10 ASP C . 30985 1 104 . 1 . 1 10 10 ASP CA C 13 57.413 0.072 . . . . . . A 10 ASP CA . 30985 1 105 . 1 . 1 10 10 ASP CB C 13 40.550 0.000 . . . . . . A 10 ASP CB . 30985 1 106 . 1 . 1 10 10 ASP N N 15 119.358 0.035 . . . . . . A 10 ASP N . 30985 1 107 . 1 . 1 11 11 LEU H H 1 8.160 0.013 . . . . . . A 11 LEU H . 30985 1 108 . 1 . 1 11 11 LEU HA H 1 4.083 0.013 . . . . . . A 11 LEU HA . 30985 1 109 . 1 . 1 11 11 LEU HB2 H 1 1.944 0.010 . . . . . . A 11 LEU HB2 . 30985 1 110 . 1 . 1 11 11 LEU HB3 H 1 1.332 0.012 . . . . . . A 11 LEU HB3 . 30985 1 111 . 1 . 1 11 11 LEU HG H 1 1.655 0.012 . . . . . . A 11 LEU HG . 30985 1 112 . 1 . 1 11 11 LEU HD11 H 1 0.859 0.010 . . . . . . A 11 LEU HD11 . 30985 1 113 . 1 . 1 11 11 LEU HD12 H 1 0.859 0.010 . . . . . . A 11 LEU HD12 . 30985 1 114 . 1 . 1 11 11 LEU HD13 H 1 0.859 0.010 . . . . . . A 11 LEU HD13 . 30985 1 115 . 1 . 1 11 11 LEU HD21 H 1 0.813 0.009 . . . . . . A 11 LEU HD21 . 30985 1 116 . 1 . 1 11 11 LEU HD22 H 1 0.813 0.009 . . . . . . A 11 LEU HD22 . 30985 1 117 . 1 . 1 11 11 LEU HD23 H 1 0.813 0.009 . . . . . . A 11 LEU HD23 . 30985 1 118 . 1 . 1 11 11 LEU C C 13 178.874 0.000 . . . . . . A 11 LEU C . 30985 1 119 . 1 . 1 11 11 LEU CA C 13 57.930 0.133 . . . . . . A 11 LEU CA . 30985 1 120 . 1 . 1 11 11 LEU CB C 13 42.068 0.224 . . . . . . A 11 LEU CB . 30985 1 121 . 1 . 1 11 11 LEU CG C 13 27.453 0.055 . . . . . . A 11 LEU CG . 30985 1 122 . 1 . 1 11 11 LEU CD1 C 13 24.039 0.240 . . . . . . A 11 LEU CD1 . 30985 1 123 . 1 . 1 11 11 LEU CD2 C 13 25.613 0.188 . . . . . . A 11 LEU CD2 . 30985 1 124 . 1 . 1 11 11 LEU N N 15 121.453 0.044 . . . . . . A 11 LEU N . 30985 1 125 . 1 . 1 12 12 ILE H H 1 8.300 0.017 . . . . . . A 12 ILE H . 30985 1 126 . 1 . 1 12 12 ILE HA H 1 3.530 0.012 . . . . . . A 12 ILE HA . 30985 1 127 . 1 . 1 12 12 ILE HB H 1 1.820 0.011 . . . . . . A 12 ILE HB . 30985 1 128 . 1 . 1 12 12 ILE HG12 H 1 1.775 0.012 . . . . . . A 12 ILE HG12 . 30985 1 129 . 1 . 1 12 12 ILE HG13 H 1 0.844 0.005 . . . . . . A 12 ILE HG13 . 30985 1 130 . 1 . 1 12 12 ILE HG21 H 1 0.988 0.004 . . . . . . A 12 ILE HG21 . 30985 1 131 . 1 . 1 12 12 ILE HG22 H 1 0.988 0.004 . . . . . . A 12 ILE HG22 . 30985 1 132 . 1 . 1 12 12 ILE HG23 H 1 0.988 0.004 . . . . . . A 12 ILE HG23 . 30985 1 133 . 1 . 1 12 12 ILE HD11 H 1 0.343 0.005 . . . . . . A 12 ILE HD11 . 30985 1 134 . 1 . 1 12 12 ILE HD12 H 1 0.343 0.005 . . . . . . A 12 ILE HD12 . 30985 1 135 . 1 . 1 12 12 ILE HD13 H 1 0.343 0.005 . . . . . . A 12 ILE HD13 . 30985 1 136 . 1 . 1 12 12 ILE C C 13 176.960 0.000 . . . . . . A 12 ILE C . 30985 1 137 . 1 . 1 12 12 ILE CA C 13 66.390 0.016 . . . . . . A 12 ILE CA . 30985 1 138 . 1 . 1 12 12 ILE CB C 13 38.076 0.033 . . . . . . A 12 ILE CB . 30985 1 139 . 1 . 1 12 12 ILE CG1 C 13 29.958 0.136 . . . . . . A 12 ILE CG1 . 30985 1 140 . 1 . 1 12 12 ILE CG2 C 13 18.692 0.068 . . . . . . A 12 ILE CG2 . 30985 1 141 . 1 . 1 12 12 ILE CD1 C 13 13.734 0.141 . . . . . . A 12 ILE CD1 . 30985 1 142 . 1 . 1 12 12 ILE N N 15 118.892 0.061 . . . . . . A 12 ILE N . 30985 1 143 . 1 . 1 13 13 ASP H H 1 7.464 0.006 . . . . . . A 13 ASP H . 30985 1 144 . 1 . 1 13 13 ASP HA H 1 4.407 0.008 . . . . . . A 13 ASP HA . 30985 1 145 . 1 . 1 13 13 ASP HB2 H 1 2.794 0.008 . . . . . . A 13 ASP HB2 . 30985 1 146 . 1 . 1 13 13 ASP HB3 H 1 2.687 0.020 . . . . . . A 13 ASP HB3 . 30985 1 147 . 1 . 1 13 13 ASP C C 13 178.929 0.000 . . . . . . A 13 ASP C . 30985 1 148 . 1 . 1 13 13 ASP CA C 13 57.552 0.111 . . . . . . A 13 ASP CA . 30985 1 149 . 1 . 1 13 13 ASP CB C 13 40.630 0.000 . . . . . . A 13 ASP CB . 30985 1 150 . 1 . 1 13 13 ASP N N 15 118.692 0.027 . . . . . . A 13 ASP N . 30985 1 151 . 1 . 1 14 14 GLU H H 1 7.659 0.005 . . . . . . A 14 GLU H . 30985 1 152 . 1 . 1 14 14 GLU HA H 1 3.953 0.010 . . . . . . A 14 GLU HA . 30985 1 153 . 1 . 1 14 14 GLU HB2 H 1 2.195 0.010 . . . . . . A 14 GLU HB2 . 30985 1 154 . 1 . 1 14 14 GLU HB3 H 1 2.118 0.010 . . . . . . A 14 GLU HB3 . 30985 1 155 . 1 . 1 14 14 GLU HG2 H 1 2.491 0.006 . . . . . . A 14 GLU HG2 . 30985 1 156 . 1 . 1 14 14 GLU HG3 H 1 2.136 0.024 . . . . . . A 14 GLU HG3 . 30985 1 157 . 1 . 1 14 14 GLU C C 13 178.795 0.000 . . . . . . A 14 GLU C . 30985 1 158 . 1 . 1 14 14 GLU CA C 13 59.742 0.150 . . . . . . A 14 GLU CA . 30985 1 159 . 1 . 1 14 14 GLU CB C 13 29.380 0.098 . . . . . . A 14 GLU CB . 30985 1 160 . 1 . 1 14 14 GLU CG C 13 35.840 0.000 . . . . . . A 14 GLU CG . 30985 1 161 . 1 . 1 14 14 GLU N N 15 120.082 0.053 . . . . . . A 14 GLU N . 30985 1 162 . 1 . 1 15 15 ILE H H 1 8.406 0.009 . . . . . . A 15 ILE H . 30985 1 163 . 1 . 1 15 15 ILE HA H 1 3.856 0.008 . . . . . . A 15 ILE HA . 30985 1 164 . 1 . 1 15 15 ILE HB H 1 2.038 0.012 . . . . . . A 15 ILE HB . 30985 1 165 . 1 . 1 15 15 ILE HG12 H 1 1.926 0.016 . . . . . . A 15 ILE HG12 . 30985 1 166 . 1 . 1 15 15 ILE HG13 H 1 0.885 0.012 . . . . . . A 15 ILE HG13 . 30985 1 167 . 1 . 1 15 15 ILE HG21 H 1 1.023 0.009 . . . . . . A 15 ILE HG21 . 30985 1 168 . 1 . 1 15 15 ILE HG22 H 1 1.023 0.009 . . . . . . A 15 ILE HG22 . 30985 1 169 . 1 . 1 15 15 ILE HG23 H 1 1.023 0.009 . . . . . . A 15 ILE HG23 . 30985 1 170 . 1 . 1 15 15 ILE HD11 H 1 0.722 0.008 . . . . . . A 15 ILE HD11 . 30985 1 171 . 1 . 1 15 15 ILE HD12 H 1 0.722 0.008 . . . . . . A 15 ILE HD12 . 30985 1 172 . 1 . 1 15 15 ILE HD13 H 1 0.722 0.008 . . . . . . A 15 ILE HD13 . 30985 1 173 . 1 . 1 15 15 ILE C C 13 178.491 0.000 . . . . . . A 15 ILE C . 30985 1 174 . 1 . 1 15 15 ILE CA C 13 65.713 0.079 . . . . . . A 15 ILE CA . 30985 1 175 . 1 . 1 15 15 ILE CB C 13 38.341 0.179 . . . . . . A 15 ILE CB . 30985 1 176 . 1 . 1 15 15 ILE CG1 C 13 29.979 0.135 . . . . . . A 15 ILE CG1 . 30985 1 177 . 1 . 1 15 15 ILE CG2 C 13 17.989 0.094 . . . . . . A 15 ILE CG2 . 30985 1 178 . 1 . 1 15 15 ILE CD1 C 13 14.913 0.047 . . . . . . A 15 ILE CD1 . 30985 1 179 . 1 . 1 15 15 ILE N N 15 121.052 0.081 . . . . . . A 15 ILE N . 30985 1 180 . 1 . 1 16 16 ILE H H 1 8.360 0.006 . . . . . . A 16 ILE H . 30985 1 181 . 1 . 1 16 16 ILE HA H 1 3.878 0.006 . . . . . . A 16 ILE HA . 30985 1 182 . 1 . 1 16 16 ILE HB H 1 1.586 0.011 . . . . . . A 16 ILE HB . 30985 1 183 . 1 . 1 16 16 ILE HG12 H 1 0.945 0.013 . . . . . . A 16 ILE HG12 . 30985 1 184 . 1 . 1 16 16 ILE HG13 H 1 0.392 0.009 . . . . . . A 16 ILE HG13 . 30985 1 185 . 1 . 1 16 16 ILE HG21 H 1 0.638 0.007 . . . . . . A 16 ILE HG21 . 30985 1 186 . 1 . 1 16 16 ILE HG22 H 1 0.638 0.007 . . . . . . A 16 ILE HG22 . 30985 1 187 . 1 . 1 16 16 ILE HG23 H 1 0.638 0.007 . . . . . . A 16 ILE HG23 . 30985 1 188 . 1 . 1 16 16 ILE HD11 H 1 0.489 0.014 . . . . . . A 16 ILE HD11 . 30985 1 189 . 1 . 1 16 16 ILE HD12 H 1 0.489 0.014 . . . . . . A 16 ILE HD12 . 30985 1 190 . 1 . 1 16 16 ILE HD13 H 1 0.489 0.014 . . . . . . A 16 ILE HD13 . 30985 1 191 . 1 . 1 16 16 ILE C C 13 177.623 0.000 . . . . . . A 16 ILE C . 30985 1 192 . 1 . 1 16 16 ILE CA C 13 60.720 0.119 . . . . . . A 16 ILE CA . 30985 1 193 . 1 . 1 16 16 ILE CB C 13 35.748 0.123 . . . . . . A 16 ILE CB . 30985 1 194 . 1 . 1 16 16 ILE CG1 C 13 26.853 0.096 . . . . . . A 16 ILE CG1 . 30985 1 195 . 1 . 1 16 16 ILE CG2 C 13 17.545 0.123 . . . . . . A 16 ILE CG2 . 30985 1 196 . 1 . 1 16 16 ILE CD1 C 13 11.197 0.070 . . . . . . A 16 ILE CD1 . 30985 1 197 . 1 . 1 16 16 ILE N N 15 118.906 0.030 . . . . . . A 16 ILE N . 30985 1 198 . 1 . 1 17 17 GLN H H 1 7.683 0.006 . . . . . . A 17 GLN H . 30985 1 199 . 1 . 1 17 17 GLN HA H 1 3.984 0.011 . . . . . . A 17 GLN HA . 30985 1 200 . 1 . 1 17 17 GLN HB2 H 1 2.237 0.010 . . . . . . A 17 GLN HB2 . 30985 1 201 . 1 . 1 17 17 GLN HB3 H 1 2.135 0.012 . . . . . . A 17 GLN HB3 . 30985 1 202 . 1 . 1 17 17 GLN HG2 H 1 2.519 0.008 . . . . . . A 17 GLN HG2 . 30985 1 203 . 1 . 1 17 17 GLN HG3 H 1 2.442 0.014 . . . . . . A 17 GLN HG3 . 30985 1 204 . 1 . 1 17 17 GLN HE21 H 1 7.552 0.003 . . . . . . A 17 GLN HE21 . 30985 1 205 . 1 . 1 17 17 GLN HE22 H 1 6.799 0.002 . . . . . . A 17 GLN HE22 . 30985 1 206 . 1 . 1 17 17 GLN C C 13 179.202 0.000 . . . . . . A 17 GLN C . 30985 1 207 . 1 . 1 17 17 GLN CA C 13 59.284 0.101 . . . . . . A 17 GLN CA . 30985 1 208 . 1 . 1 17 17 GLN CB C 13 28.017 0.082 . . . . . . A 17 GLN CB . 30985 1 209 . 1 . 1 17 17 GLN CG C 13 33.900 0.055 . . . . . . A 17 GLN CG . 30985 1 210 . 1 . 1 17 17 GLN N N 15 120.201 0.018 . . . . . . A 17 GLN N . 30985 1 211 . 1 . 1 17 17 GLN NE2 N 15 112.880 0.051 . . . . . . A 17 GLN NE2 . 30985 1 212 . 1 . 1 18 18 ASP H H 1 7.738 0.009 . . . . . . A 18 ASP H . 30985 1 213 . 1 . 1 18 18 ASP HA H 1 4.380 0.004 . . . . . . A 18 ASP HA . 30985 1 214 . 1 . 1 18 18 ASP HB2 H 1 3.275 0.006 . . . . . . A 18 ASP HB2 . 30985 1 215 . 1 . 1 18 18 ASP HB3 H 1 2.666 0.004 . . . . . . A 18 ASP HB3 . 30985 1 216 . 1 . 1 18 18 ASP C C 13 179.038 0.000 . . . . . . A 18 ASP C . 30985 1 217 . 1 . 1 18 18 ASP CA C 13 57.273 0.053 . . . . . . A 18 ASP CA . 30985 1 218 . 1 . 1 18 18 ASP CB C 13 39.983 0.043 . . . . . . A 18 ASP CB . 30985 1 219 . 1 . 1 18 18 ASP N N 15 120.391 0.044 . . . . . . A 18 ASP N . 30985 1 220 . 1 . 1 19 19 VAL H H 1 8.379 0.004 . . . . . . A 19 VAL H . 30985 1 221 . 1 . 1 19 19 VAL HA H 1 2.872 0.012 . . . . . . A 19 VAL HA . 30985 1 222 . 1 . 1 19 19 VAL HB H 1 2.449 0.009 . . . . . . A 19 VAL HB . 30985 1 223 . 1 . 1 19 19 VAL HG11 H 1 0.770 0.007 . . . . . . A 19 VAL HG11 . 30985 1 224 . 1 . 1 19 19 VAL HG12 H 1 0.770 0.007 . . . . . . A 19 VAL HG12 . 30985 1 225 . 1 . 1 19 19 VAL HG13 H 1 0.770 0.007 . . . . . . A 19 VAL HG13 . 30985 1 226 . 1 . 1 19 19 VAL HG21 H 1 1.045 0.007 . . . . . . A 19 VAL HG21 . 30985 1 227 . 1 . 1 19 19 VAL HG22 H 1 1.045 0.007 . . . . . . A 19 VAL HG22 . 30985 1 228 . 1 . 1 19 19 VAL HG23 H 1 1.045 0.007 . . . . . . A 19 VAL HG23 . 30985 1 229 . 1 . 1 19 19 VAL C C 13 177.835 0.000 . . . . . . A 19 VAL C . 30985 1 230 . 1 . 1 19 19 VAL CA C 13 66.800 0.102 . . . . . . A 19 VAL CA . 30985 1 231 . 1 . 1 19 19 VAL CB C 13 31.077 0.082 . . . . . . A 19 VAL CB . 30985 1 232 . 1 . 1 19 19 VAL CG1 C 13 22.950 0.050 . . . . . . A 19 VAL CG1 . 30985 1 233 . 1 . 1 19 19 VAL CG2 C 13 25.561 0.041 . . . . . . A 19 VAL CG2 . 30985 1 234 . 1 . 1 19 19 VAL N N 15 122.076 0.064 . . . . . . A 19 VAL N . 30985 1 235 . 1 . 1 20 20 ILE H H 1 8.010 0.007 . . . . . . A 20 ILE H . 30985 1 236 . 1 . 1 20 20 ILE HA H 1 3.372 0.008 . . . . . . A 20 ILE HA . 30985 1 237 . 1 . 1 20 20 ILE HB H 1 1.867 0.011 . . . . . . A 20 ILE HB . 30985 1 238 . 1 . 1 20 20 ILE HG12 H 1 1.824 0.014 . . . . . . A 20 ILE HG12 . 30985 1 239 . 1 . 1 20 20 ILE HG13 H 1 0.962 0.010 . . . . . . A 20 ILE HG13 . 30985 1 240 . 1 . 1 20 20 ILE HG21 H 1 0.876 0.007 . . . . . . A 20 ILE HG21 . 30985 1 241 . 1 . 1 20 20 ILE HG22 H 1 0.876 0.007 . . . . . . A 20 ILE HG22 . 30985 1 242 . 1 . 1 20 20 ILE HG23 H 1 0.876 0.007 . . . . . . A 20 ILE HG23 . 30985 1 243 . 1 . 1 20 20 ILE HD11 H 1 0.868 0.006 . . . . . . A 20 ILE HD11 . 30985 1 244 . 1 . 1 20 20 ILE HD12 H 1 0.868 0.006 . . . . . . A 20 ILE HD12 . 30985 1 245 . 1 . 1 20 20 ILE HD13 H 1 0.868 0.006 . . . . . . A 20 ILE HD13 . 30985 1 246 . 1 . 1 20 20 ILE C C 13 179.090 0.000 . . . . . . A 20 ILE C . 30985 1 247 . 1 . 1 20 20 ILE CA C 13 65.645 0.039 . . . . . . A 20 ILE CA . 30985 1 248 . 1 . 1 20 20 ILE CB C 13 38.129 0.083 . . . . . . A 20 ILE CB . 30985 1 249 . 1 . 1 20 20 ILE CG1 C 13 30.239 0.002 . . . . . . A 20 ILE CG1 . 30985 1 250 . 1 . 1 20 20 ILE CG2 C 13 17.456 0.063 . . . . . . A 20 ILE CG2 . 30985 1 251 . 1 . 1 20 20 ILE CD1 C 13 14.449 0.073 . . . . . . A 20 ILE CD1 . 30985 1 252 . 1 . 1 20 20 ILE N N 15 118.995 0.068 . . . . . . A 20 ILE N . 30985 1 253 . 1 . 1 21 21 GLN H H 1 7.329 0.012 . . . . . . A 21 GLN H . 30985 1 254 . 1 . 1 21 21 GLN HA H 1 4.117 0.005 . . . . . . A 21 GLN HA . 30985 1 255 . 1 . 1 21 21 GLN HB2 H 1 2.293 0.009 . . . . . . A 21 GLN HB2 . 30985 1 256 . 1 . 1 21 21 GLN HB3 H 1 2.105 0.009 . . . . . . A 21 GLN HB3 . 30985 1 257 . 1 . 1 21 21 GLN HG2 H 1 2.605 0.015 . . . . . . A 21 GLN HG2 . 30985 1 258 . 1 . 1 21 21 GLN HG3 H 1 2.501 0.005 . . . . . . A 21 GLN HG3 . 30985 1 259 . 1 . 1 21 21 GLN HE21 H 1 7.511 0.002 . . . . . . A 21 GLN HE21 . 30985 1 260 . 1 . 1 21 21 GLN HE22 H 1 6.871 0.002 . . . . . . A 21 GLN HE22 . 30985 1 261 . 1 . 1 21 21 GLN C C 13 176.865 0.000 . . . . . . A 21 GLN C . 30985 1 262 . 1 . 1 21 21 GLN CA C 13 57.287 0.146 . . . . . . A 21 GLN CA . 30985 1 263 . 1 . 1 21 21 GLN CB C 13 28.625 0.046 . . . . . . A 21 GLN CB . 30985 1 264 . 1 . 1 21 21 GLN CG C 13 34.060 0.000 . . . . . . A 21 GLN CG . 30985 1 265 . 1 . 1 21 21 GLN N N 15 116.692 0.063 . . . . . . A 21 GLN N . 30985 1 266 . 1 . 1 21 21 GLN NE2 N 15 112.636 0.028 . . . . . . A 21 GLN NE2 . 30985 1 267 . 1 . 1 22 22 LEU H H 1 7.690 0.006 . . . . . . A 22 LEU H . 30985 1 268 . 1 . 1 22 22 LEU HA H 1 4.097 0.007 . . . . . . A 22 LEU HA . 30985 1 269 . 1 . 1 22 22 LEU HB2 H 1 1.888 0.018 . . . . . . A 22 LEU HB2 . 30985 1 270 . 1 . 1 22 22 LEU HB3 H 1 1.378 0.022 . . . . . . A 22 LEU HB3 . 30985 1 271 . 1 . 1 22 22 LEU HG H 1 1.630 0.007 . . . . . . A 22 LEU HG . 30985 1 272 . 1 . 1 22 22 LEU HD11 H 1 0.177 0.007 . . . . . . A 22 LEU HD11 . 30985 1 273 . 1 . 1 22 22 LEU HD12 H 1 0.177 0.007 . . . . . . A 22 LEU HD12 . 30985 1 274 . 1 . 1 22 22 LEU HD13 H 1 0.177 0.007 . . . . . . A 22 LEU HD13 . 30985 1 275 . 1 . 1 22 22 LEU HD21 H 1 0.511 0.005 . . . . . . A 22 LEU HD21 . 30985 1 276 . 1 . 1 22 22 LEU HD22 H 1 0.511 0.005 . . . . . . A 22 LEU HD22 . 30985 1 277 . 1 . 1 22 22 LEU HD23 H 1 0.511 0.005 . . . . . . A 22 LEU HD23 . 30985 1 278 . 1 . 1 22 22 LEU C C 13 176.129 0.000 . . . . . . A 22 LEU C . 30985 1 279 . 1 . 1 22 22 LEU CA C 13 55.010 0.060 . . . . . . A 22 LEU CA . 30985 1 280 . 1 . 1 22 22 LEU CB C 13 41.740 0.000 . . . . . . A 22 LEU CB . 30985 1 281 . 1 . 1 22 22 LEU CG C 13 25.483 0.126 . . . . . . A 22 LEU CG . 30985 1 282 . 1 . 1 22 22 LEU CD1 C 13 25.613 0.041 . . . . . . A 22 LEU CD1 . 30985 1 283 . 1 . 1 22 22 LEU CD2 C 13 22.052 0.134 . . . . . . A 22 LEU CD2 . 30985 1 284 . 1 . 1 22 22 LEU N N 15 119.438 0.051 . . . . . . A 22 LEU N . 30985 1 285 . 1 . 1 23 23 ASP H H 1 7.125 0.013 . . . . . . A 23 ASP H . 30985 1 286 . 1 . 1 23 23 ASP HA H 1 4.296 0.012 . . . . . . A 23 ASP HA . 30985 1 287 . 1 . 1 23 23 ASP HB2 H 1 2.717 0.010 . . . . . . A 23 ASP HB2 . 30985 1 288 . 1 . 1 23 23 ASP HB3 H 1 2.650 0.008 . . . . . . A 23 ASP HB3 . 30985 1 289 . 1 . 1 23 23 ASP C C 13 177.835 0.000 . . . . . . A 23 ASP C . 30985 1 290 . 1 . 1 23 23 ASP CA C 13 55.717 0.120 . . . . . . A 23 ASP CA . 30985 1 291 . 1 . 1 23 23 ASP CB C 13 42.000 0.000 . . . . . . A 23 ASP CB . 30985 1 292 . 1 . 1 23 23 ASP N N 15 117.502 0.022 . . . . . . A 23 ASP N . 30985 1 293 . 1 . 1 24 24 GLY H H 1 9.325 0.011 . . . . . . A 24 GLY H . 30985 1 294 . 1 . 1 24 24 GLY HA2 H 1 4.190 0.003 . . . . . . A 24 GLY HA2 . 30985 1 295 . 1 . 1 24 24 GLY HA3 H 1 3.789 0.008 . . . . . . A 24 GLY HA3 . 30985 1 296 . 1 . 1 24 24 GLY C C 13 175.374 0.000 . . . . . . A 24 GLY C . 30985 1 297 . 1 . 1 24 24 GLY CA C 13 45.998 0.003 . . . . . . A 24 GLY CA . 30985 1 298 . 1 . 1 24 24 GLY N N 15 114.399 0.041 . . . . . . A 24 GLY N . 30985 1 299 . 1 . 1 25 25 LYS H H 1 8.366 0.007 . . . . . . A 25 LYS H . 30985 1 300 . 1 . 1 25 25 LYS HA H 1 4.445 0.012 . . . . . . A 25 LYS HA . 30985 1 301 . 1 . 1 25 25 LYS HB2 H 1 1.676 0.005 . . . . . . A 25 LYS HB2 . 30985 1 302 . 1 . 1 25 25 LYS HB3 H 1 1.631 0.007 . . . . . . A 25 LYS HB3 . 30985 1 303 . 1 . 1 25 25 LYS HG2 H 1 1.311 0.007 . . . . . . A 25 LYS HG2 . 30985 1 304 . 1 . 1 25 25 LYS HG3 H 1 1.252 0.004 . . . . . . A 25 LYS HG3 . 30985 1 305 . 1 . 1 25 25 LYS HD2 H 1 1.586 0.002 . . . . . . A 25 LYS HD2 . 30985 1 306 . 1 . 1 25 25 LYS HD3 H 1 1.515 0.006 . . . . . . A 25 LYS HD3 . 30985 1 307 . 1 . 1 25 25 LYS HE2 H 1 2.975 0.009 . . . . . . A 25 LYS HE2 . 30985 1 308 . 1 . 1 25 25 LYS HE3 H 1 2.975 0.009 . . . . . . A 25 LYS HE3 . 30985 1 309 . 1 . 1 25 25 LYS C C 13 176.249 0.000 . . . . . . A 25 LYS C . 30985 1 310 . 1 . 1 25 25 LYS CA C 13 55.491 0.067 . . . . . . A 25 LYS CA . 30985 1 311 . 1 . 1 25 25 LYS CB C 13 30.070 0.000 . . . . . . A 25 LYS CB . 30985 1 312 . 1 . 1 25 25 LYS CG C 13 25.041 0.003 . . . . . . A 25 LYS CG . 30985 1 313 . 1 . 1 25 25 LYS CD C 13 28.835 0.035 . . . . . . A 25 LYS CD . 30985 1 314 . 1 . 1 25 25 LYS CE C 13 42.140 0.000 . . . . . . A 25 LYS CE . 30985 1 315 . 1 . 1 25 25 LYS N N 15 122.878 0.042 . . . . . . A 25 LYS N . 30985 1 316 . 1 . 1 26 26 LEU H H 1 7.770 0.012 . . . . . . A 26 LEU H . 30985 1 317 . 1 . 1 26 26 LEU HA H 1 4.323 0.006 . . . . . . A 26 LEU HA . 30985 1 318 . 1 . 1 26 26 LEU HB2 H 1 1.653 0.008 . . . . . . A 26 LEU HB2 . 30985 1 319 . 1 . 1 26 26 LEU HB3 H 1 1.540 0.016 . . . . . . A 26 LEU HB3 . 30985 1 320 . 1 . 1 26 26 LEU HG H 1 1.440 0.019 . . . . . . A 26 LEU HG . 30985 1 321 . 1 . 1 26 26 LEU HD11 H 1 0.764 0.005 . . . . . . A 26 LEU HD11 . 30985 1 322 . 1 . 1 26 26 LEU HD12 H 1 0.764 0.005 . . . . . . A 26 LEU HD12 . 30985 1 323 . 1 . 1 26 26 LEU HD13 H 1 0.764 0.005 . . . . . . A 26 LEU HD13 . 30985 1 324 . 1 . 1 26 26 LEU HD21 H 1 0.657 0.007 . . . . . . A 26 LEU HD21 . 30985 1 325 . 1 . 1 26 26 LEU HD22 H 1 0.657 0.007 . . . . . . A 26 LEU HD22 . 30985 1 326 . 1 . 1 26 26 LEU HD23 H 1 0.657 0.007 . . . . . . A 26 LEU HD23 . 30985 1 327 . 1 . 1 26 26 LEU C C 13 178.373 0.000 . . . . . . A 26 LEU C . 30985 1 328 . 1 . 1 26 26 LEU CA C 13 55.008 0.084 . . . . . . A 26 LEU CA . 30985 1 329 . 1 . 1 26 26 LEU CB C 13 43.000 0.000 . . . . . . A 26 LEU CB . 30985 1 330 . 1 . 1 26 26 LEU CG C 13 27.370 0.000 . . . . . . A 26 LEU CG . 30985 1 331 . 1 . 1 26 26 LEU CD1 C 13 25.270 0.000 . . . . . . A 26 LEU CD1 . 30985 1 332 . 1 . 1 26 26 LEU CD2 C 13 22.915 0.094 . . . . . . A 26 LEU CD2 . 30985 1 333 . 1 . 1 26 26 LEU N N 15 118.950 0.062 . . . . . . A 26 LEU N . 30985 1 334 . 1 . 1 27 27 GLY H H 1 8.441 0.013 . . . . . . A 27 GLY H . 30985 1 335 . 1 . 1 27 27 GLY HA2 H 1 4.012 0.007 . . . . . . A 27 GLY HA2 . 30985 1 336 . 1 . 1 27 27 GLY HA3 H 1 3.965 0.008 . . . . . . A 27 GLY HA3 . 30985 1 337 . 1 . 1 27 27 GLY C C 13 174.950 0.000 . . . . . . A 27 GLY C . 30985 1 338 . 1 . 1 27 27 GLY CA C 13 45.710 0.023 . . . . . . A 27 GLY CA . 30985 1 339 . 1 . 1 27 27 GLY N N 15 109.196 0.043 . . . . . . A 27 GLY N . 30985 1 340 . 1 . 1 28 28 LEU H H 1 8.570 0.008 . . . . . . A 28 LEU H . 30985 1 341 . 1 . 1 28 28 LEU HA H 1 4.223 0.016 . . . . . . A 28 LEU HA . 30985 1 342 . 1 . 1 28 28 LEU HB2 H 1 1.645 0.009 . . . . . . A 28 LEU HB2 . 30985 1 343 . 1 . 1 28 28 LEU HB3 H 1 1.645 0.009 . . . . . . A 28 LEU HB3 . 30985 1 344 . 1 . 1 28 28 LEU HG H 1 1.633 0.006 . . . . . . A 28 LEU HG . 30985 1 345 . 1 . 1 28 28 LEU HD11 H 1 0.882 0.016 . . . . . . A 28 LEU HD11 . 30985 1 346 . 1 . 1 28 28 LEU HD12 H 1 0.882 0.016 . . . . . . A 28 LEU HD12 . 30985 1 347 . 1 . 1 28 28 LEU HD13 H 1 0.882 0.016 . . . . . . A 28 LEU HD13 . 30985 1 348 . 1 . 1 28 28 LEU HD21 H 1 0.835 0.012 . . . . . . A 28 LEU HD21 . 30985 1 349 . 1 . 1 28 28 LEU HD22 H 1 0.835 0.012 . . . . . . A 28 LEU HD22 . 30985 1 350 . 1 . 1 28 28 LEU HD23 H 1 0.835 0.012 . . . . . . A 28 LEU HD23 . 30985 1 351 . 1 . 1 28 28 LEU C C 13 177.710 0.000 . . . . . . A 28 LEU C . 30985 1 352 . 1 . 1 28 28 LEU CA C 13 56.158 0.052 . . . . . . A 28 LEU CA . 30985 1 353 . 1 . 1 28 28 LEU CB C 13 42.212 0.080 . . . . . . A 28 LEU CB . 30985 1 354 . 1 . 1 28 28 LEU CG C 13 27.109 0.097 . . . . . . A 28 LEU CG . 30985 1 355 . 1 . 1 28 28 LEU CD1 C 13 23.383 0.343 . . . . . . A 28 LEU CD1 . 30985 1 356 . 1 . 1 28 28 LEU CD2 C 13 23.433 0.000 . . . . . . A 28 LEU CD2 . 30985 1 357 . 1 . 1 28 28 LEU N N 15 122.938 0.089 . . . . . . A 28 LEU N . 30985 1 358 . 1 . 1 29 29 LEU H H 1 8.026 0.009 . . . . . . A 29 LEU H . 30985 1 359 . 1 . 1 29 29 LEU HA H 1 4.439 0.008 . . . . . . A 29 LEU HA . 30985 1 360 . 1 . 1 29 29 LEU HB2 H 1 1.821 0.012 . . . . . . A 29 LEU HB2 . 30985 1 361 . 1 . 1 29 29 LEU HB3 H 1 1.686 0.012 . . . . . . A 29 LEU HB3 . 30985 1 362 . 1 . 1 29 29 LEU HG H 1 1.644 0.022 . . . . . . A 29 LEU HG . 30985 1 363 . 1 . 1 29 29 LEU HD11 H 1 0.968 0.005 . . . . . . A 29 LEU HD11 . 30985 1 364 . 1 . 1 29 29 LEU HD12 H 1 0.968 0.005 . . . . . . A 29 LEU HD12 . 30985 1 365 . 1 . 1 29 29 LEU HD13 H 1 0.968 0.005 . . . . . . A 29 LEU HD13 . 30985 1 366 . 1 . 1 29 29 LEU HD21 H 1 0.859 0.011 . . . . . . A 29 LEU HD21 . 30985 1 367 . 1 . 1 29 29 LEU HD22 H 1 0.859 0.011 . . . . . . A 29 LEU HD22 . 30985 1 368 . 1 . 1 29 29 LEU HD23 H 1 0.859 0.011 . . . . . . A 29 LEU HD23 . 30985 1 369 . 1 . 1 29 29 LEU C C 13 177.416 0.000 . . . . . . A 29 LEU C . 30985 1 370 . 1 . 1 29 29 LEU CA C 13 54.863 0.061 . . . . . . A 29 LEU CA . 30985 1 371 . 1 . 1 29 29 LEU CB C 13 42.331 0.017 . . . . . . A 29 LEU CB . 30985 1 372 . 1 . 1 29 29 LEU CG C 13 27.502 0.000 . . . . . . A 29 LEU CG . 30985 1 373 . 1 . 1 29 29 LEU CD1 C 13 25.559 0.000 . . . . . . A 29 LEU CD1 . 30985 1 374 . 1 . 1 29 29 LEU CD2 C 13 24.168 0.002 . . . . . . A 29 LEU CD2 . 30985 1 375 . 1 . 1 29 29 LEU N N 15 119.485 0.044 . . . . . . A 29 LEU N . 30985 1 376 . 1 . 1 30 30 GLY H H 1 8.058 0.009 . . . . . . A 30 GLY H . 30985 1 377 . 1 . 1 30 30 GLY HA2 H 1 3.929 0.006 . . . . . . A 30 GLY HA2 . 30985 1 378 . 1 . 1 30 30 GLY HA3 H 1 3.837 0.006 . . . . . . A 30 GLY HA3 . 30985 1 379 . 1 . 1 30 30 GLY C C 13 174.043 0.000 . . . . . . A 30 GLY C . 30985 1 380 . 1 . 1 30 30 GLY CA C 13 45.399 0.039 . . . . . . A 30 GLY CA . 30985 1 381 . 1 . 1 30 30 GLY N N 15 107.558 0.043 . . . . . . A 30 GLY N . 30985 1 382 . 1 . 1 31 31 GLY H H 1 8.343 0.007 . . . . . . A 31 GLY H . 30985 1 383 . 1 . 1 31 31 GLY HA2 H 1 4.136 0.008 . . . . . . A 31 GLY HA2 . 30985 1 384 . 1 . 1 31 31 GLY HA3 H 1 3.744 0.006 . . . . . . A 31 GLY HA3 . 30985 1 385 . 1 . 1 31 31 GLY C C 13 172.945 0.000 . . . . . . A 31 GLY C . 30985 1 386 . 1 . 1 31 31 GLY CA C 13 45.284 0.115 . . . . . . A 31 GLY CA . 30985 1 387 . 1 . 1 31 31 GLY N N 15 108.550 0.031 . . . . . . A 31 GLY N . 30985 1 388 . 1 . 1 32 32 ASN H H 1 8.419 0.025 . . . . . . A 32 ASN H . 30985 1 389 . 1 . 1 32 32 ASN HA H 1 5.002 0.009 . . . . . . A 32 ASN HA . 30985 1 390 . 1 . 1 32 32 ASN HB2 H 1 2.595 0.009 . . . . . . A 32 ASN HB2 . 30985 1 391 . 1 . 1 32 32 ASN HB3 H 1 2.316 0.007 . . . . . . A 32 ASN HB3 . 30985 1 392 . 1 . 1 32 32 ASN HD21 H 1 7.615 0.006 . . . . . . A 32 ASN HD21 . 30985 1 393 . 1 . 1 32 32 ASN HD22 H 1 7.354 0.013 . . . . . . A 32 ASN HD22 . 30985 1 394 . 1 . 1 32 32 ASN C C 13 173.834 0.000 . . . . . . A 32 ASN C . 30985 1 395 . 1 . 1 32 32 ASN CA C 13 52.498 0.075 . . . . . . A 32 ASN CA . 30985 1 396 . 1 . 1 32 32 ASN CB C 13 42.253 0.157 . . . . . . A 32 ASN CB . 30985 1 397 . 1 . 1 32 32 ASN N N 15 118.723 0.035 . . . . . . A 32 ASN N . 30985 1 398 . 1 . 1 32 32 ASN ND2 N 15 113.441 0.069 . . . . . . A 32 ASN ND2 . 30985 1 399 . 1 . 1 33 33 THR H H 1 8.730 0.009 . . . . . . A 33 THR H . 30985 1 400 . 1 . 1 33 33 THR HA H 1 5.356 0.007 . . . . . . A 33 THR HA . 30985 1 401 . 1 . 1 33 33 THR HB H 1 3.916 0.005 . . . . . . A 33 THR HB . 30985 1 402 . 1 . 1 33 33 THR HG21 H 1 1.071 0.008 . . . . . . A 33 THR HG21 . 30985 1 403 . 1 . 1 33 33 THR HG22 H 1 1.071 0.008 . . . . . . A 33 THR HG22 . 30985 1 404 . 1 . 1 33 33 THR HG23 H 1 1.071 0.008 . . . . . . A 33 THR HG23 . 30985 1 405 . 1 . 1 33 33 THR C C 13 176.483 0.000 . . . . . . A 33 THR C . 30985 1 406 . 1 . 1 33 33 THR CA C 13 60.787 0.182 . . . . . . A 33 THR CA . 30985 1 407 . 1 . 1 33 33 THR CB C 13 70.073 0.180 . . . . . . A 33 THR CB . 30985 1 408 . 1 . 1 33 33 THR CG2 C 13 22.152 0.090 . . . . . . A 33 THR CG2 . 30985 1 409 . 1 . 1 33 33 THR N N 15 116.114 0.088 . . . . . . A 33 THR N . 30985 1 410 . 1 . 1 34 34 ARG H H 1 8.813 0.008 . . . . . . A 34 ARG H . 30985 1 411 . 1 . 1 34 34 ARG HA H 1 4.572 0.004 . . . . . . A 34 ARG HA . 30985 1 412 . 1 . 1 34 34 ARG HB2 H 1 0.887 0.008 . . . . . . A 34 ARG HB2 . 30985 1 413 . 1 . 1 34 34 ARG HB3 H 1 0.685 0.006 . . . . . . A 34 ARG HB3 . 30985 1 414 . 1 . 1 34 34 ARG HG2 H 1 1.262 0.010 . . . . . . A 34 ARG HG2 . 30985 1 415 . 1 . 1 34 34 ARG HG3 H 1 1.262 0.010 . . . . . . A 34 ARG HG3 . 30985 1 416 . 1 . 1 34 34 ARG HD2 H 1 3.779 0.009 . . . . . . A 34 ARG HD2 . 30985 1 417 . 1 . 1 34 34 ARG HD3 H 1 3.080 0.022 . . . . . . A 34 ARG HD3 . 30985 1 418 . 1 . 1 34 34 ARG HE H 1 9.382 0.010 . . . . . . A 34 ARG HE . 30985 1 419 . 1 . 1 34 34 ARG C C 13 173.167 0.000 . . . . . . A 34 ARG C . 30985 1 420 . 1 . 1 34 34 ARG CA C 13 52.903 0.070 . . . . . . A 34 ARG CA . 30985 1 421 . 1 . 1 34 34 ARG CB C 13 33.956 0.000 . . . . . . A 34 ARG CB . 30985 1 422 . 1 . 1 34 34 ARG CD C 13 42.378 0.067 . . . . . . A 34 ARG CD . 30985 1 423 . 1 . 1 34 34 ARG N N 15 124.981 0.061 . . . . . . A 34 ARG N . 30985 1 424 . 1 . 1 34 34 ARG NE N 15 119.562 0.000 . . . . . . A 34 ARG NE . 30985 1 425 . 1 . 1 35 35 GLN H H 1 8.398 0.006 . . . . . . A 35 GLN H . 30985 1 426 . 1 . 1 35 35 GLN HA H 1 5.014 0.009 . . . . . . A 35 GLN HA . 30985 1 427 . 1 . 1 35 35 GLN HB2 H 1 2.036 0.004 . . . . . . A 35 GLN HB2 . 30985 1 428 . 1 . 1 35 35 GLN HB3 H 1 1.821 0.008 . . . . . . A 35 GLN HB3 . 30985 1 429 . 1 . 1 35 35 GLN HG2 H 1 2.489 0.008 . . . . . . A 35 GLN HG2 . 30985 1 430 . 1 . 1 35 35 GLN HG3 H 1 2.073 0.009 . . . . . . A 35 GLN HG3 . 30985 1 431 . 1 . 1 35 35 GLN HE21 H 1 7.545 0.002 . . . . . . A 35 GLN HE21 . 30985 1 432 . 1 . 1 35 35 GLN HE22 H 1 6.812 0.004 . . . . . . A 35 GLN HE22 . 30985 1 433 . 1 . 1 35 35 GLN C C 13 175.576 0.000 . . . . . . A 35 GLN C . 30985 1 434 . 1 . 1 35 35 GLN CA C 13 54.869 0.175 . . . . . . A 35 GLN CA . 30985 1 435 . 1 . 1 35 35 GLN CB C 13 31.181 0.033 . . . . . . A 35 GLN CB . 30985 1 436 . 1 . 1 35 35 GLN CG C 13 34.246 0.120 . . . . . . A 35 GLN CG . 30985 1 437 . 1 . 1 35 35 GLN N N 15 121.069 0.070 . . . . . . A 35 GLN N . 30985 1 438 . 1 . 1 35 35 GLN NE2 N 15 112.187 0.065 . . . . . . A 35 GLN NE2 . 30985 1 439 . 1 . 1 36 36 LEU H H 1 9.181 0.010 . . . . . . A 36 LEU H . 30985 1 440 . 1 . 1 36 36 LEU HA H 1 4.677 0.017 . . . . . . A 36 LEU HA . 30985 1 441 . 1 . 1 36 36 LEU HB2 H 1 2.149 0.006 . . . . . . A 36 LEU HB2 . 30985 1 442 . 1 . 1 36 36 LEU HB3 H 1 1.802 0.007 . . . . . . A 36 LEU HB3 . 30985 1 443 . 1 . 1 36 36 LEU HG H 1 1.676 0.011 . . . . . . A 36 LEU HG . 30985 1 444 . 1 . 1 36 36 LEU HD11 H 1 0.879 0.004 . . . . . . A 36 LEU HD11 . 30985 1 445 . 1 . 1 36 36 LEU HD12 H 1 0.879 0.004 . . . . . . A 36 LEU HD12 . 30985 1 446 . 1 . 1 36 36 LEU HD13 H 1 0.879 0.004 . . . . . . A 36 LEU HD13 . 30985 1 447 . 1 . 1 36 36 LEU HD21 H 1 0.911 0.010 . . . . . . A 36 LEU HD21 . 30985 1 448 . 1 . 1 36 36 LEU HD22 H 1 0.911 0.010 . . . . . . A 36 LEU HD22 . 30985 1 449 . 1 . 1 36 36 LEU HD23 H 1 0.911 0.010 . . . . . . A 36 LEU HD23 . 30985 1 450 . 1 . 1 36 36 LEU C C 13 179.556 0.000 . . . . . . A 36 LEU C . 30985 1 451 . 1 . 1 36 36 LEU CA C 13 54.444 0.034 . . . . . . A 36 LEU CA . 30985 1 452 . 1 . 1 36 36 LEU CB C 13 42.228 0.045 . . . . . . A 36 LEU CB . 30985 1 453 . 1 . 1 36 36 LEU CG C 13 27.449 0.001 . . . . . . A 36 LEU CG . 30985 1 454 . 1 . 1 36 36 LEU CD1 C 13 22.589 0.113 . . . . . . A 36 LEU CD1 . 30985 1 455 . 1 . 1 36 36 LEU CD2 C 13 25.164 0.129 . . . . . . A 36 LEU CD2 . 30985 1 456 . 1 . 1 36 36 LEU N N 15 125.248 0.054 . . . . . . A 36 LEU N . 30985 1 457 . 1 . 1 37 37 GLU H H 1 9.371 0.006 . . . . . . A 37 GLU H . 30985 1 458 . 1 . 1 37 37 GLU HA H 1 4.087 0.004 . . . . . . A 37 GLU HA . 30985 1 459 . 1 . 1 37 37 GLU HB2 H 1 2.173 0.004 . . . . . . A 37 GLU HB2 . 30985 1 460 . 1 . 1 37 37 GLU HB3 H 1 2.111 0.011 . . . . . . A 37 GLU HB3 . 30985 1 461 . 1 . 1 37 37 GLU HG2 H 1 2.416 0.004 . . . . . . A 37 GLU HG2 . 30985 1 462 . 1 . 1 37 37 GLU HG3 H 1 2.416 0.004 . . . . . . A 37 GLU HG3 . 30985 1 463 . 1 . 1 37 37 GLU C C 13 176.967 0.000 . . . . . . A 37 GLU C . 30985 1 464 . 1 . 1 37 37 GLU CA C 13 59.519 0.083 . . . . . . A 37 GLU CA . 30985 1 465 . 1 . 1 37 37 GLU CB C 13 29.488 0.023 . . . . . . A 37 GLU CB . 30985 1 466 . 1 . 1 37 37 GLU CG C 13 36.738 0.057 . . . . . . A 37 GLU CG . 30985 1 467 . 1 . 1 37 37 GLU N N 15 121.881 0.042 . . . . . . A 37 GLU N . 30985 1 468 . 1 . 1 38 38 ASP H H 1 7.730 0.004 . . . . . . A 38 ASP H . 30985 1 469 . 1 . 1 38 38 ASP HA H 1 4.510 0.008 . . . . . . A 38 ASP HA . 30985 1 470 . 1 . 1 38 38 ASP HB2 H 1 3.069 0.010 . . . . . . A 38 ASP HB2 . 30985 1 471 . 1 . 1 38 38 ASP HB3 H 1 2.580 0.006 . . . . . . A 38 ASP HB3 . 30985 1 472 . 1 . 1 38 38 ASP C C 13 177.068 0.000 . . . . . . A 38 ASP C . 30985 1 473 . 1 . 1 38 38 ASP CA C 13 53.603 0.116 . . . . . . A 38 ASP CA . 30985 1 474 . 1 . 1 38 38 ASP CB C 13 40.442 0.067 . . . . . . A 38 ASP CB . 30985 1 475 . 1 . 1 38 38 ASP N N 15 115.106 0.042 . . . . . . A 38 ASP N . 30985 1 476 . 1 . 1 39 39 GLY H H 1 7.980 0.005 . . . . . . A 39 GLY H . 30985 1 477 . 1 . 1 39 39 GLY HA2 H 1 4.425 0.007 . . . . . . A 39 GLY HA2 . 30985 1 478 . 1 . 1 39 39 GLY HA3 H 1 3.528 0.005 . . . . . . A 39 GLY HA3 . 30985 1 479 . 1 . 1 39 39 GLY C C 13 174.769 0.000 . . . . . . A 39 GLY C . 30985 1 480 . 1 . 1 39 39 GLY CA C 13 44.754 0.055 . . . . . . A 39 GLY CA . 30985 1 481 . 1 . 1 39 39 GLY N N 15 108.220 0.026 . . . . . . A 39 GLY N . 30985 1 482 . 1 . 1 40 40 ARG H H 1 7.995 0.007 . . . . . . A 40 ARG H . 30985 1 483 . 1 . 1 40 40 ARG HA H 1 4.125 0.005 . . . . . . A 40 ARG HA . 30985 1 484 . 1 . 1 40 40 ARG HB2 H 1 1.931 0.009 . . . . . . A 40 ARG HB2 . 30985 1 485 . 1 . 1 40 40 ARG HB3 H 1 1.706 0.014 . . . . . . A 40 ARG HB3 . 30985 1 486 . 1 . 1 40 40 ARG HG2 H 1 1.431 0.008 . . . . . . A 40 ARG HG2 . 30985 1 487 . 1 . 1 40 40 ARG HG3 H 1 1.431 0.008 . . . . . . A 40 ARG HG3 . 30985 1 488 . 1 . 1 40 40 ARG HD2 H 1 3.130 0.006 . . . . . . A 40 ARG HD2 . 30985 1 489 . 1 . 1 40 40 ARG HD3 H 1 3.130 0.006 . . . . . . A 40 ARG HD3 . 30985 1 490 . 1 . 1 40 40 ARG HE H 1 7.832 0.002 . . . . . . A 40 ARG HE . 30985 1 491 . 1 . 1 40 40 ARG HH11 H 1 6.698 0.000 . . . . . . A 40 ARG HH11 . 30985 1 492 . 1 . 1 40 40 ARG HH12 H 1 6.698 0.000 . . . . . . A 40 ARG HH12 . 30985 1 493 . 1 . 1 40 40 ARG HH21 H 1 6.792 0.000 . . . . . . A 40 ARG HH21 . 30985 1 494 . 1 . 1 40 40 ARG HH22 H 1 6.792 0.000 . . . . . . A 40 ARG HH22 . 30985 1 495 . 1 . 1 40 40 ARG C C 13 174.825 0.000 . . . . . . A 40 ARG C . 30985 1 496 . 1 . 1 40 40 ARG CA C 13 57.750 0.125 . . . . . . A 40 ARG CA . 30985 1 497 . 1 . 1 40 40 ARG CB C 13 31.307 0.017 . . . . . . A 40 ARG CB . 30985 1 498 . 1 . 1 40 40 ARG CG C 13 27.290 0.000 . . . . . . A 40 ARG CG . 30985 1 499 . 1 . 1 40 40 ARG CD C 13 44.208 0.018 . . . . . . A 40 ARG CD . 30985 1 500 . 1 . 1 40 40 ARG N N 15 122.692 0.042 . . . . . . A 40 ARG N . 30985 1 501 . 1 . 1 40 40 ARG NE N 15 118.482 0.069 . . . . . . A 40 ARG NE . 30985 1 502 . 1 . 1 41 41 VAL H H 1 8.453 0.007 . . . . . . A 41 VAL H . 30985 1 503 . 1 . 1 41 41 VAL HA H 1 4.630 0.008 . . . . . . A 41 VAL HA . 30985 1 504 . 1 . 1 41 41 VAL HB H 1 1.869 0.009 . . . . . . A 41 VAL HB . 30985 1 505 . 1 . 1 41 41 VAL HG11 H 1 0.784 0.008 . . . . . . A 41 VAL HG11 . 30985 1 506 . 1 . 1 41 41 VAL HG12 H 1 0.784 0.008 . . . . . . A 41 VAL HG12 . 30985 1 507 . 1 . 1 41 41 VAL HG13 H 1 0.784 0.008 . . . . . . A 41 VAL HG13 . 30985 1 508 . 1 . 1 41 41 VAL HG21 H 1 0.920 0.005 . . . . . . A 41 VAL HG21 . 30985 1 509 . 1 . 1 41 41 VAL HG22 H 1 0.920 0.005 . . . . . . A 41 VAL HG22 . 30985 1 510 . 1 . 1 41 41 VAL HG23 H 1 0.920 0.005 . . . . . . A 41 VAL HG23 . 30985 1 511 . 1 . 1 41 41 VAL C C 13 176.577 0.000 . . . . . . A 41 VAL C . 30985 1 512 . 1 . 1 41 41 VAL CA C 13 61.626 0.149 . . . . . . A 41 VAL CA . 30985 1 513 . 1 . 1 41 41 VAL CB C 13 33.263 0.131 . . . . . . A 41 VAL CB . 30985 1 514 . 1 . 1 41 41 VAL CG1 C 13 21.745 0.095 . . . . . . A 41 VAL CG1 . 30985 1 515 . 1 . 1 41 41 VAL CG2 C 13 21.471 0.094 . . . . . . A 41 VAL CG2 . 30985 1 516 . 1 . 1 41 41 VAL N N 15 123.981 0.020 . . . . . . A 41 VAL N . 30985 1 517 . 1 . 1 42 42 ILE H H 1 8.841 0.006 . . . . . . A 42 ILE H . 30985 1 518 . 1 . 1 42 42 ILE HA H 1 4.732 0.003 . . . . . . A 42 ILE HA . 30985 1 519 . 1 . 1 42 42 ILE HB H 1 1.497 0.010 . . . . . . A 42 ILE HB . 30985 1 520 . 1 . 1 42 42 ILE HG12 H 1 1.055 0.006 . . . . . . A 42 ILE HG12 . 30985 1 521 . 1 . 1 42 42 ILE HG13 H 1 0.797 0.005 . . . . . . A 42 ILE HG13 . 30985 1 522 . 1 . 1 42 42 ILE HG21 H 1 0.742 0.004 . . . . . . A 42 ILE HG21 . 30985 1 523 . 1 . 1 42 42 ILE HG22 H 1 0.742 0.004 . . . . . . A 42 ILE HG22 . 30985 1 524 . 1 . 1 42 42 ILE HG23 H 1 0.742 0.004 . . . . . . A 42 ILE HG23 . 30985 1 525 . 1 . 1 42 42 ILE HD11 H 1 0.476 0.007 . . . . . . A 42 ILE HD11 . 30985 1 526 . 1 . 1 42 42 ILE HD12 H 1 0.476 0.007 . . . . . . A 42 ILE HD12 . 30985 1 527 . 1 . 1 42 42 ILE HD13 H 1 0.476 0.007 . . . . . . A 42 ILE HD13 . 30985 1 528 . 1 . 1 42 42 ILE C C 13 173.241 0.000 . . . . . . A 42 ILE C . 30985 1 529 . 1 . 1 42 42 ILE CA C 13 59.145 0.026 . . . . . . A 42 ILE CA . 30985 1 530 . 1 . 1 42 42 ILE CB C 13 41.434 0.129 . . . . . . A 42 ILE CB . 30985 1 531 . 1 . 1 42 42 ILE CG1 C 13 24.900 0.000 . . . . . . A 42 ILE CG1 . 30985 1 532 . 1 . 1 42 42 ILE CG2 C 13 17.613 0.088 . . . . . . A 42 ILE CG2 . 30985 1 533 . 1 . 1 42 42 ILE CD1 C 13 14.714 0.172 . . . . . . A 42 ILE CD1 . 30985 1 534 . 1 . 1 42 42 ILE N N 15 120.763 0.069 . . . . . . A 42 ILE N . 30985 1 535 . 1 . 1 43 43 ASN H H 1 8.889 0.015 . . . . . . A 43 ASN H . 30985 1 536 . 1 . 1 43 43 ASN HA H 1 5.277 0.013 . . . . . . A 43 ASN HA . 30985 1 537 . 1 . 1 43 43 ASN HB2 H 1 2.646 0.008 . . . . . . A 43 ASN HB2 . 30985 1 538 . 1 . 1 43 43 ASN HB3 H 1 2.473 0.005 . . . . . . A 43 ASN HB3 . 30985 1 539 . 1 . 1 43 43 ASN HD21 H 1 7.525 0.004 . . . . . . A 43 ASN HD21 . 30985 1 540 . 1 . 1 43 43 ASN HD22 H 1 6.570 0.005 . . . . . . A 43 ASN HD22 . 30985 1 541 . 1 . 1 43 43 ASN C C 13 174.935 0.000 . . . . . . A 43 ASN C . 30985 1 542 . 1 . 1 43 43 ASN CA C 13 52.440 0.096 . . . . . . A 43 ASN CA . 30985 1 543 . 1 . 1 43 43 ASN CB C 13 40.660 0.103 . . . . . . A 43 ASN CB . 30985 1 544 . 1 . 1 43 43 ASN N N 15 122.191 0.023 . . . . . . A 43 ASN N . 30985 1 545 . 1 . 1 43 43 ASN ND2 N 15 110.907 0.021 . . . . . . A 43 ASN ND2 . 30985 1 546 . 1 . 1 44 44 ILE H H 1 8.669 0.005 . . . . . . A 44 ILE H . 30985 1 547 . 1 . 1 44 44 ILE HA H 1 5.042 0.009 . . . . . . A 44 ILE HA . 30985 1 548 . 1 . 1 44 44 ILE HB H 1 1.737 0.010 . . . . . . A 44 ILE HB . 30985 1 549 . 1 . 1 44 44 ILE HG12 H 1 1.300 0.013 . . . . . . A 44 ILE HG12 . 30985 1 550 . 1 . 1 44 44 ILE HG13 H 1 1.011 0.009 . . . . . . A 44 ILE HG13 . 30985 1 551 . 1 . 1 44 44 ILE HG21 H 1 0.693 0.008 . . . . . . A 44 ILE HG21 . 30985 1 552 . 1 . 1 44 44 ILE HG22 H 1 0.693 0.008 . . . . . . A 44 ILE HG22 . 30985 1 553 . 1 . 1 44 44 ILE HG23 H 1 0.693 0.008 . . . . . . A 44 ILE HG23 . 30985 1 554 . 1 . 1 44 44 ILE HD11 H 1 0.354 0.006 . . . . . . A 44 ILE HD11 . 30985 1 555 . 1 . 1 44 44 ILE HD12 H 1 0.354 0.006 . . . . . . A 44 ILE HD12 . 30985 1 556 . 1 . 1 44 44 ILE HD13 H 1 0.354 0.006 . . . . . . A 44 ILE HD13 . 30985 1 557 . 1 . 1 44 44 ILE CA C 13 58.994 0.157 . . . . . . A 44 ILE CA . 30985 1 558 . 1 . 1 44 44 ILE CB C 13 40.631 0.185 . . . . . . A 44 ILE CB . 30985 1 559 . 1 . 1 44 44 ILE CG1 C 13 24.919 0.045 . . . . . . A 44 ILE CG1 . 30985 1 560 . 1 . 1 44 44 ILE CG2 C 13 19.225 0.140 . . . . . . A 44 ILE CG2 . 30985 1 561 . 1 . 1 44 44 ILE CD1 C 13 13.042 0.070 . . . . . . A 44 ILE CD1 . 30985 1 562 . 1 . 1 44 44 ILE N N 15 115.063 0.072 . . . . . . A 44 ILE N . 30985 1 563 . 1 . 1 45 45 PRO HA H 1 4.748 0.013 . . . . . . A 45 PRO HA . 30985 1 564 . 1 . 1 45 45 PRO HB2 H 1 2.763 0.008 . . . . . . A 45 PRO HB2 . 30985 1 565 . 1 . 1 45 45 PRO HB3 H 1 2.167 0.015 . . . . . . A 45 PRO HB3 . 30985 1 566 . 1 . 1 45 45 PRO HG2 H 1 2.163 0.008 . . . . . . A 45 PRO HG2 . 30985 1 567 . 1 . 1 45 45 PRO HG3 H 1 2.163 0.008 . . . . . . A 45 PRO HG3 . 30985 1 568 . 1 . 1 45 45 PRO HD2 H 1 3.251 0.009 . . . . . . A 45 PRO HD2 . 30985 1 569 . 1 . 1 45 45 PRO HD3 H 1 3.741 0.006 . . . . . . A 45 PRO HD3 . 30985 1 570 . 1 . 1 45 45 PRO C C 13 176.120 0.000 . . . . . . A 45 PRO C . 30985 1 571 . 1 . 1 45 45 PRO CA C 13 62.576 0.024 . . . . . . A 45 PRO CA . 30985 1 572 . 1 . 1 45 45 PRO CB C 13 33.082 0.062 . . . . . . A 45 PRO CB . 30985 1 573 . 1 . 1 45 45 PRO CG C 13 28.082 0.054 . . . . . . A 45 PRO CG . 30985 1 574 . 1 . 1 45 45 PRO CD C 13 50.991 0.163 . . . . . . A 45 PRO CD . 30985 1 575 . 1 . 1 46 46 ASN H H 1 8.961 0.013 . . . . . . A 46 ASN H . 30985 1 576 . 1 . 1 46 46 ASN HA H 1 4.306 0.011 . . . . . . A 46 ASN HA . 30985 1 577 . 1 . 1 46 46 ASN HB2 H 1 2.966 0.015 . . . . . . A 46 ASN HB2 . 30985 1 578 . 1 . 1 46 46 ASN HB3 H 1 2.776 0.011 . . . . . . A 46 ASN HB3 . 30985 1 579 . 1 . 1 46 46 ASN HD21 H 1 7.674 0.017 . . . . . . A 46 ASN HD21 . 30985 1 580 . 1 . 1 46 46 ASN HD22 H 1 7.005 0.005 . . . . . . A 46 ASN HD22 . 30985 1 581 . 1 . 1 46 46 ASN C C 13 177.403 0.000 . . . . . . A 46 ASN C . 30985 1 582 . 1 . 1 46 46 ASN CA C 13 57.957 0.077 . . . . . . A 46 ASN CA . 30985 1 583 . 1 . 1 46 46 ASN CB C 13 38.991 0.016 . . . . . . A 46 ASN CB . 30985 1 584 . 1 . 1 46 46 ASN N N 15 119.774 0.040 . . . . . . A 46 ASN N . 30985 1 585 . 1 . 1 46 46 ASN ND2 N 15 111.901 0.002 . . . . . . A 46 ASN ND2 . 30985 1 586 . 1 . 1 47 47 GLY H H 1 8.592 0.007 . . . . . . A 47 GLY H . 30985 1 587 . 1 . 1 47 47 GLY HA2 H 1 3.910 0.006 . . . . . . A 47 GLY HA2 . 30985 1 588 . 1 . 1 47 47 GLY HA3 H 1 3.723 0.007 . . . . . . A 47 GLY HA3 . 30985 1 589 . 1 . 1 47 47 GLY C C 13 175.736 0.000 . . . . . . A 47 GLY C . 30985 1 590 . 1 . 1 47 47 GLY CA C 13 47.936 0.010 . . . . . . A 47 GLY CA . 30985 1 591 . 1 . 1 47 47 GLY N N 15 108.263 0.057 . . . . . . A 47 GLY N . 30985 1 592 . 1 . 1 48 48 ALA H H 1 7.038 0.007 . . . . . . A 48 ALA H . 30985 1 593 . 1 . 1 48 48 ALA HA H 1 4.255 0.011 . . . . . . A 48 ALA HA . 30985 1 594 . 1 . 1 48 48 ALA HB1 H 1 1.319 0.006 . . . . . . A 48 ALA HB1 . 30985 1 595 . 1 . 1 48 48 ALA HB2 H 1 1.319 0.006 . . . . . . A 48 ALA HB2 . 30985 1 596 . 1 . 1 48 48 ALA HB3 H 1 1.319 0.006 . . . . . . A 48 ALA HB3 . 30985 1 597 . 1 . 1 48 48 ALA C C 13 177.621 0.000 . . . . . . A 48 ALA C . 30985 1 598 . 1 . 1 48 48 ALA CA C 13 54.789 0.081 . . . . . . A 48 ALA CA . 30985 1 599 . 1 . 1 48 48 ALA CB C 13 18.526 0.094 . . . . . . A 48 ALA CB . 30985 1 600 . 1 . 1 48 48 ALA N N 15 122.763 0.046 . . . . . . A 48 ALA N . 30985 1 601 . 1 . 1 49 49 ALA H H 1 8.582 0.013 . . . . . . A 49 ALA H . 30985 1 602 . 1 . 1 49 49 ALA HA H 1 3.950 0.010 . . . . . . A 49 ALA HA . 30985 1 603 . 1 . 1 49 49 ALA HB1 H 1 1.305 0.011 . . . . . . A 49 ALA HB1 . 30985 1 604 . 1 . 1 49 49 ALA HB2 H 1 1.305 0.011 . . . . . . A 49 ALA HB2 . 30985 1 605 . 1 . 1 49 49 ALA HB3 H 1 1.305 0.011 . . . . . . A 49 ALA HB3 . 30985 1 606 . 1 . 1 49 49 ALA C C 13 178.273 0.000 . . . . . . A 49 ALA C . 30985 1 607 . 1 . 1 49 49 ALA CA C 13 55.468 0.116 . . . . . . A 49 ALA CA . 30985 1 608 . 1 . 1 49 49 ALA CB C 13 16.905 0.104 . . . . . . A 49 ALA CB . 30985 1 609 . 1 . 1 49 49 ALA N N 15 121.875 0.044 . . . . . . A 49 ALA N . 30985 1 610 . 1 . 1 50 50 MET H H 1 8.024 0.010 . . . . . . A 50 MET H . 30985 1 611 . 1 . 1 50 50 MET HA H 1 4.260 0.006 . . . . . . A 50 MET HA . 30985 1 612 . 1 . 1 50 50 MET HB2 H 1 2.808 0.019 . . . . . . A 50 MET HB2 . 30985 1 613 . 1 . 1 50 50 MET HB3 H 1 2.622 0.005 . . . . . . A 50 MET HB3 . 30985 1 614 . 1 . 1 50 50 MET HG2 H 1 2.365 0.008 . . . . . . A 50 MET HG2 . 30985 1 615 . 1 . 1 50 50 MET HG3 H 1 2.203 0.005 . . . . . . A 50 MET HG3 . 30985 1 616 . 1 . 1 50 50 MET HE1 H 1 2.059 0.005 . . . . . . A 50 MET HE1 . 30985 1 617 . 1 . 1 50 50 MET HE2 H 1 2.059 0.005 . . . . . . A 50 MET HE2 . 30985 1 618 . 1 . 1 50 50 MET HE3 H 1 2.059 0.005 . . . . . . A 50 MET HE3 . 30985 1 619 . 1 . 1 50 50 MET C C 13 179.530 0.000 . . . . . . A 50 MET C . 30985 1 620 . 1 . 1 50 50 MET CA C 13 59.191 0.082 . . . . . . A 50 MET CA . 30985 1 621 . 1 . 1 50 50 MET CB C 13 32.385 0.065 . . . . . . A 50 MET CB . 30985 1 622 . 1 . 1 50 50 MET CE C 13 17.464 0.009 . . . . . . A 50 MET CE . 30985 1 623 . 1 . 1 50 50 MET N N 15 117.391 0.034 . . . . . . A 50 MET N . 30985 1 624 . 1 . 1 51 51 ILE H H 1 7.998 0.008 . . . . . . A 51 ILE H . 30985 1 625 . 1 . 1 51 51 ILE HA H 1 3.757 0.009 . . . . . . A 51 ILE HA . 30985 1 626 . 1 . 1 51 51 ILE HB H 1 2.304 0.012 . . . . . . A 51 ILE HB . 30985 1 627 . 1 . 1 51 51 ILE HG12 H 1 2.125 0.020 . . . . . . A 51 ILE HG12 . 30985 1 628 . 1 . 1 51 51 ILE HG13 H 1 1.089 0.020 . . . . . . A 51 ILE HG13 . 30985 1 629 . 1 . 1 51 51 ILE HG21 H 1 1.067 0.006 . . . . . . A 51 ILE HG21 . 30985 1 630 . 1 . 1 51 51 ILE HG22 H 1 1.067 0.006 . . . . . . A 51 ILE HG22 . 30985 1 631 . 1 . 1 51 51 ILE HG23 H 1 1.067 0.006 . . . . . . A 51 ILE HG23 . 30985 1 632 . 1 . 1 51 51 ILE HD11 H 1 1.052 0.009 . . . . . . A 51 ILE HD11 . 30985 1 633 . 1 . 1 51 51 ILE HD12 H 1 1.052 0.009 . . . . . . A 51 ILE HD12 . 30985 1 634 . 1 . 1 51 51 ILE HD13 H 1 1.052 0.009 . . . . . . A 51 ILE HD13 . 30985 1 635 . 1 . 1 51 51 ILE C C 13 177.343 0.000 . . . . . . A 51 ILE C . 30985 1 636 . 1 . 1 51 51 ILE CA C 13 66.346 0.095 . . . . . . A 51 ILE CA . 30985 1 637 . 1 . 1 51 51 ILE CB C 13 38.381 0.049 . . . . . . A 51 ILE CB . 30985 1 638 . 1 . 1 51 51 ILE CG1 C 13 31.717 0.042 . . . . . . A 51 ILE CG1 . 30985 1 639 . 1 . 1 51 51 ILE CG2 C 13 16.910 0.061 . . . . . . A 51 ILE CG2 . 30985 1 640 . 1 . 1 51 51 ILE CD1 C 13 13.907 0.073 . . . . . . A 51 ILE CD1 . 30985 1 641 . 1 . 1 51 51 ILE N N 15 122.101 0.003 . . . . . . A 51 ILE N . 30985 1 642 . 1 . 1 52 52 PHE H H 1 8.841 0.006 . . . . . . A 52 PHE H . 30985 1 643 . 1 . 1 52 52 PHE HA H 1 3.967 0.011 . . . . . . A 52 PHE HA . 30985 1 644 . 1 . 1 52 52 PHE HB2 H 1 3.577 0.008 . . . . . . A 52 PHE HB2 . 30985 1 645 . 1 . 1 52 52 PHE HB3 H 1 2.896 0.008 . . . . . . A 52 PHE HB3 . 30985 1 646 . 1 . 1 52 52 PHE HD1 H 1 7.114 0.019 . . . . . . A 52 PHE HD1 . 30985 1 647 . 1 . 1 52 52 PHE HD2 H 1 7.114 0.019 . . . . . . A 52 PHE HD2 . 30985 1 648 . 1 . 1 52 52 PHE HE1 H 1 7.313 0.010 . . . . . . A 52 PHE HE1 . 30985 1 649 . 1 . 1 52 52 PHE HE2 H 1 7.313 0.010 . . . . . . A 52 PHE HE2 . 30985 1 650 . 1 . 1 52 52 PHE C C 13 176.960 0.000 . . . . . . A 52 PHE C . 30985 1 651 . 1 . 1 52 52 PHE CA C 13 62.346 0.075 . . . . . . A 52 PHE CA . 30985 1 652 . 1 . 1 52 52 PHE CB C 13 39.382 0.102 . . . . . . A 52 PHE CB . 30985 1 653 . 1 . 1 52 52 PHE CD1 C 13 131.382 0.040 . . . . . . A 52 PHE CD1 . 30985 1 654 . 1 . 1 52 52 PHE CD2 C 13 131.382 0.040 . . . . . . A 52 PHE CD2 . 30985 1 655 . 1 . 1 52 52 PHE CE1 C 13 131.400 0.000 . . . . . . A 52 PHE CE1 . 30985 1 656 . 1 . 1 52 52 PHE CE2 C 13 131.400 0.000 . . . . . . A 52 PHE CE2 . 30985 1 657 . 1 . 1 52 52 PHE N N 15 122.573 0.058 . . . . . . A 52 PHE N . 30985 1 658 . 1 . 1 53 53 ASP H H 1 8.687 0.012 . . . . . . A 53 ASP H . 30985 1 659 . 1 . 1 53 53 ASP HA H 1 4.509 0.009 . . . . . . A 53 ASP HA . 30985 1 660 . 1 . 1 53 53 ASP HB2 H 1 3.054 0.010 . . . . . . A 53 ASP HB2 . 30985 1 661 . 1 . 1 53 53 ASP HB3 H 1 3.000 0.004 . . . . . . A 53 ASP HB3 . 30985 1 662 . 1 . 1 53 53 ASP C C 13 179.694 0.000 . . . . . . A 53 ASP C . 30985 1 663 . 1 . 1 53 53 ASP CA C 13 57.654 0.037 . . . . . . A 53 ASP CA . 30985 1 664 . 1 . 1 53 53 ASP CB C 13 39.110 0.000 . . . . . . A 53 ASP CB . 30985 1 665 . 1 . 1 53 53 ASP N N 15 120.866 0.040 . . . . . . A 53 ASP N . 30985 1 666 . 1 . 1 54 54 ASP H H 1 7.808 0.011 . . . . . . A 54 ASP H . 30985 1 667 . 1 . 1 54 54 ASP HA H 1 4.601 0.005 . . . . . . A 54 ASP HA . 30985 1 668 . 1 . 1 54 54 ASP HB2 H 1 2.923 0.002 . . . . . . A 54 ASP HB2 . 30985 1 669 . 1 . 1 54 54 ASP HB3 H 1 2.373 0.010 . . . . . . A 54 ASP HB3 . 30985 1 670 . 1 . 1 54 54 ASP C C 13 178.045 0.000 . . . . . . A 54 ASP C . 30985 1 671 . 1 . 1 54 54 ASP CA C 13 57.422 0.075 . . . . . . A 54 ASP CA . 30985 1 672 . 1 . 1 54 54 ASP CB C 13 39.142 0.002 . . . . . . A 54 ASP CB . 30985 1 673 . 1 . 1 54 54 ASP N N 15 122.687 0.026 . . . . . . A 54 ASP N . 30985 1 674 . 1 . 1 55 55 TYR H H 1 8.095 0.007 . . . . . . A 55 TYR H . 30985 1 675 . 1 . 1 55 55 TYR HA H 1 4.080 0.011 . . . . . . A 55 TYR HA . 30985 1 676 . 1 . 1 55 55 TYR HB2 H 1 3.427 0.009 . . . . . . A 55 TYR HB2 . 30985 1 677 . 1 . 1 55 55 TYR HB3 H 1 2.823 0.011 . . . . . . A 55 TYR HB3 . 30985 1 678 . 1 . 1 55 55 TYR HD1 H 1 6.645 0.010 . . . . . . A 55 TYR HD1 . 30985 1 679 . 1 . 1 55 55 TYR HD2 H 1 6.645 0.010 . . . . . . A 55 TYR HD2 . 30985 1 680 . 1 . 1 55 55 TYR HE1 H 1 6.785 0.018 . . . . . . A 55 TYR HE1 . 30985 1 681 . 1 . 1 55 55 TYR HE2 H 1 6.785 0.018 . . . . . . A 55 TYR HE2 . 30985 1 682 . 1 . 1 55 55 TYR C C 13 176.646 0.000 . . . . . . A 55 TYR C . 30985 1 683 . 1 . 1 55 55 TYR CA C 13 61.131 0.158 . . . . . . A 55 TYR CA . 30985 1 684 . 1 . 1 55 55 TYR CB C 13 37.540 0.103 . . . . . . A 55 TYR CB . 30985 1 685 . 1 . 1 55 55 TYR CD1 C 13 133.298 0.051 . . . . . . A 55 TYR CD1 . 30985 1 686 . 1 . 1 55 55 TYR CD2 C 13 133.298 0.051 . . . . . . A 55 TYR CD2 . 30985 1 687 . 1 . 1 55 55 TYR CE1 C 13 117.903 0.004 . . . . . . A 55 TYR CE1 . 30985 1 688 . 1 . 1 55 55 TYR CE2 C 13 117.903 0.004 . . . . . . A 55 TYR CE2 . 30985 1 689 . 1 . 1 55 55 TYR N N 15 123.172 0.047 . . . . . . A 55 TYR N . 30985 1 690 . 1 . 1 56 56 LYS H H 1 8.307 0.007 . . . . . . A 56 LYS H . 30985 1 691 . 1 . 1 56 56 LYS HA H 1 3.479 0.009 . . . . . . A 56 LYS HA . 30985 1 692 . 1 . 1 56 56 LYS HB2 H 1 1.876 0.007 . . . . . . A 56 LYS HB2 . 30985 1 693 . 1 . 1 56 56 LYS HB3 H 1 1.564 0.009 . . . . . . A 56 LYS HB3 . 30985 1 694 . 1 . 1 56 56 LYS HG2 H 1 1.546 0.006 . . . . . . A 56 LYS HG2 . 30985 1 695 . 1 . 1 56 56 LYS HG3 H 1 1.287 0.012 . . . . . . A 56 LYS HG3 . 30985 1 696 . 1 . 1 56 56 LYS HD2 H 1 1.791 0.012 . . . . . . A 56 LYS HD2 . 30985 1 697 . 1 . 1 56 56 LYS HD3 H 1 1.708 0.010 . . . . . . A 56 LYS HD3 . 30985 1 698 . 1 . 1 56 56 LYS HE2 H 1 3.043 0.007 . . . . . . A 56 LYS HE2 . 30985 1 699 . 1 . 1 56 56 LYS HE3 H 1 3.043 0.007 . . . . . . A 56 LYS HE3 . 30985 1 700 . 1 . 1 56 56 LYS C C 13 178.930 0.000 . . . . . . A 56 LYS C . 30985 1 701 . 1 . 1 56 56 LYS CA C 13 58.937 0.077 . . . . . . A 56 LYS CA . 30985 1 702 . 1 . 1 56 56 LYS CB C 13 30.555 0.109 . . . . . . A 56 LYS CB . 30985 1 703 . 1 . 1 56 56 LYS CG C 13 24.343 0.102 . . . . . . A 56 LYS CG . 30985 1 704 . 1 . 1 56 56 LYS CD C 13 28.146 0.068 . . . . . . A 56 LYS CD . 30985 1 705 . 1 . 1 56 56 LYS CE C 13 41.748 0.066 . . . . . . A 56 LYS CE . 30985 1 706 . 1 . 1 56 56 LYS N N 15 119.916 0.039 . . . . . . A 56 LYS N . 30985 1 707 . 1 . 1 57 57 LYS H H 1 7.659 0.005 . . . . . . A 57 LYS H . 30985 1 708 . 1 . 1 57 57 LYS HA H 1 3.960 0.005 . . . . . . A 57 LYS HA . 30985 1 709 . 1 . 1 57 57 LYS HB2 H 1 2.097 0.008 . . . . . . A 57 LYS HB2 . 30985 1 710 . 1 . 1 57 57 LYS HB3 H 1 1.642 0.007 . . . . . . A 57 LYS HB3 . 30985 1 711 . 1 . 1 57 57 LYS HG2 H 1 1.278 0.008 . . . . . . A 57 LYS HG2 . 30985 1 712 . 1 . 1 57 57 LYS HG3 H 1 0.882 0.016 . . . . . . A 57 LYS HG3 . 30985 1 713 . 1 . 1 57 57 LYS HD2 H 1 1.684 0.009 . . . . . . A 57 LYS HD2 . 30985 1 714 . 1 . 1 57 57 LYS HD3 H 1 1.457 0.008 . . . . . . A 57 LYS HD3 . 30985 1 715 . 1 . 1 57 57 LYS HE2 H 1 3.128 0.000 . . . . . . A 57 LYS HE2 . 30985 1 716 . 1 . 1 57 57 LYS HE3 H 1 3.128 0.000 . . . . . . A 57 LYS HE3 . 30985 1 717 . 1 . 1 57 57 LYS C C 13 179.312 0.000 . . . . . . A 57 LYS C . 30985 1 718 . 1 . 1 57 57 LYS CA C 13 60.182 0.050 . . . . . . A 57 LYS CA . 30985 1 719 . 1 . 1 57 57 LYS CB C 13 33.037 0.042 . . . . . . A 57 LYS CB . 30985 1 720 . 1 . 1 57 57 LYS CD C 13 26.774 0.047 . . . . . . A 57 LYS CD . 30985 1 721 . 1 . 1 57 57 LYS N N 15 118.157 0.055 . . . . . . A 57 LYS N . 30985 1 722 . 1 . 1 58 58 TYR H H 1 7.989 0.007 . . . . . . A 58 TYR H . 30985 1 723 . 1 . 1 58 58 TYR HA H 1 4.846 0.007 . . . . . . A 58 TYR HA . 30985 1 724 . 1 . 1 58 58 TYR HB2 H 1 3.191 0.011 . . . . . . A 58 TYR HB2 . 30985 1 725 . 1 . 1 58 58 TYR HB3 H 1 2.892 0.014 . . . . . . A 58 TYR HB3 . 30985 1 726 . 1 . 1 58 58 TYR HD1 H 1 7.011 0.009 . . . . . . A 58 TYR HD1 . 30985 1 727 . 1 . 1 58 58 TYR HD2 H 1 7.011 0.009 . . . . . . A 58 TYR HD2 . 30985 1 728 . 1 . 1 58 58 TYR HE1 H 1 6.827 0.006 . . . . . . A 58 TYR HE1 . 30985 1 729 . 1 . 1 58 58 TYR HE2 H 1 6.827 0.006 . . . . . . A 58 TYR HE2 . 30985 1 730 . 1 . 1 58 58 TYR C C 13 179.038 0.000 . . . . . . A 58 TYR C . 30985 1 731 . 1 . 1 58 58 TYR CA C 13 59.216 0.023 . . . . . . A 58 TYR CA . 30985 1 732 . 1 . 1 58 58 TYR CB C 13 36.997 0.047 . . . . . . A 58 TYR CB . 30985 1 733 . 1 . 1 58 58 TYR CD1 C 13 133.264 0.025 . . . . . . A 58 TYR CD1 . 30985 1 734 . 1 . 1 58 58 TYR CD2 C 13 133.264 0.025 . . . . . . A 58 TYR CD2 . 30985 1 735 . 1 . 1 58 58 TYR CE1 C 13 117.899 0.006 . . . . . . A 58 TYR CE1 . 30985 1 736 . 1 . 1 58 58 TYR CE2 C 13 117.899 0.006 . . . . . . A 58 TYR CE2 . 30985 1 737 . 1 . 1 58 58 TYR N N 15 122.133 0.047 . . . . . . A 58 TYR N . 30985 1 738 . 1 . 1 59 59 LYS H H 1 8.538 0.006 . . . . . . A 59 LYS H . 30985 1 739 . 1 . 1 59 59 LYS HA H 1 3.365 0.009 . . . . . . A 59 LYS HA . 30985 1 740 . 1 . 1 59 59 LYS HB2 H 1 1.584 0.013 . . . . . . A 59 LYS HB2 . 30985 1 741 . 1 . 1 59 59 LYS HB3 H 1 1.515 0.006 . . . . . . A 59 LYS HB3 . 30985 1 742 . 1 . 1 59 59 LYS HG2 H 1 0.948 0.016 . . . . . . A 59 LYS HG2 . 30985 1 743 . 1 . 1 59 59 LYS HG3 H 1 0.875 0.015 . . . . . . A 59 LYS HG3 . 30985 1 744 . 1 . 1 59 59 LYS HD2 H 1 1.436 0.009 . . . . . . A 59 LYS HD2 . 30985 1 745 . 1 . 1 59 59 LYS HD3 H 1 1.302 0.008 . . . . . . A 59 LYS HD3 . 30985 1 746 . 1 . 1 59 59 LYS HE2 H 1 2.970 0.015 . . . . . . A 59 LYS HE2 . 30985 1 747 . 1 . 1 59 59 LYS HE3 H 1 2.878 0.017 . . . . . . A 59 LYS HE3 . 30985 1 748 . 1 . 1 59 59 LYS C C 13 178.716 0.000 . . . . . . A 59 LYS C . 30985 1 749 . 1 . 1 59 59 LYS CA C 13 57.267 0.081 . . . . . . A 59 LYS CA . 30985 1 750 . 1 . 1 59 59 LYS CB C 13 30.055 0.657 . . . . . . A 59 LYS CB . 30985 1 751 . 1 . 1 59 59 LYS CG C 13 23.427 0.048 . . . . . . A 59 LYS CG . 30985 1 752 . 1 . 1 59 59 LYS CD C 13 27.332 0.059 . . . . . . A 59 LYS CD . 30985 1 753 . 1 . 1 59 59 LYS CE C 13 41.700 0.000 . . . . . . A 59 LYS CE . 30985 1 754 . 1 . 1 59 59 LYS N N 15 123.236 0.066 . . . . . . A 59 LYS N . 30985 1 755 . 1 . 1 60 60 GLN H H 1 7.753 0.006 . . . . . . A 60 GLN H . 30985 1 756 . 1 . 1 60 60 GLN HA H 1 4.231 0.007 . . . . . . A 60 GLN HA . 30985 1 757 . 1 . 1 60 60 GLN HB2 H 1 2.286 0.007 . . . . . . A 60 GLN HB2 . 30985 1 758 . 1 . 1 60 60 GLN HB3 H 1 2.086 0.002 . . . . . . A 60 GLN HB3 . 30985 1 759 . 1 . 1 60 60 GLN HG2 H 1 2.489 0.006 . . . . . . A 60 GLN HG2 . 30985 1 760 . 1 . 1 60 60 GLN HG3 H 1 2.400 0.009 . . . . . . A 60 GLN HG3 . 30985 1 761 . 1 . 1 60 60 GLN HE21 H 1 7.390 0.002 . . . . . . A 60 GLN HE21 . 30985 1 762 . 1 . 1 60 60 GLN HE22 H 1 6.795 0.004 . . . . . . A 60 GLN HE22 . 30985 1 763 . 1 . 1 60 60 GLN C C 13 176.305 0.000 . . . . . . A 60 GLN C . 30985 1 764 . 1 . 1 60 60 GLN CA C 13 55.805 0.039 . . . . . . A 60 GLN CA . 30985 1 765 . 1 . 1 60 60 GLN CB C 13 29.062 0.021 . . . . . . A 60 GLN CB . 30985 1 766 . 1 . 1 60 60 GLN CG C 13 34.316 0.042 . . . . . . A 60 GLN CG . 30985 1 767 . 1 . 1 60 60 GLN N N 15 115.383 0.040 . . . . . . A 60 GLN N . 30985 1 768 . 1 . 1 60 60 GLN NE2 N 15 110.805 0.013 . . . . . . A 60 GLN NE2 . 30985 1 769 . 1 . 1 61 61 GLY H H 1 7.862 0.004 . . . . . . A 61 GLY H . 30985 1 770 . 1 . 1 61 61 GLY HA2 H 1 4.139 0.005 . . . . . . A 61 GLY HA2 . 30985 1 771 . 1 . 1 61 61 GLY HA3 H 1 3.921 0.010 . . . . . . A 61 GLY HA3 . 30985 1 772 . 1 . 1 61 61 GLY C C 13 174.816 0.000 . . . . . . A 61 GLY C . 30985 1 773 . 1 . 1 61 61 GLY CA C 13 45.510 0.024 . . . . . . A 61 GLY CA . 30985 1 774 . 1 . 1 61 61 GLY N N 15 107.776 0.042 . . . . . . A 61 GLY N . 30985 1 775 . 1 . 1 62 62 GLU H H 1 8.230 0.005 . . . . . . A 62 GLU H . 30985 1 776 . 1 . 1 62 62 GLU HA H 1 4.212 0.002 . . . . . . A 62 GLU HA . 30985 1 777 . 1 . 1 62 62 GLU HB2 H 1 2.098 0.002 . . . . . . A 62 GLU HB2 . 30985 1 778 . 1 . 1 62 62 GLU HB3 H 1 1.858 0.005 . . . . . . A 62 GLU HB3 . 30985 1 779 . 1 . 1 62 62 GLU HG2 H 1 2.185 0.004 . . . . . . A 62 GLU HG2 . 30985 1 780 . 1 . 1 62 62 GLU HG3 H 1 2.185 0.004 . . . . . . A 62 GLU HG3 . 30985 1 781 . 1 . 1 62 62 GLU C C 13 175.863 0.000 . . . . . . A 62 GLU C . 30985 1 782 . 1 . 1 62 62 GLU CA C 13 57.411 0.053 . . . . . . A 62 GLU CA . 30985 1 783 . 1 . 1 62 62 GLU CB C 13 30.753 0.168 . . . . . . A 62 GLU CB . 30985 1 784 . 1 . 1 62 62 GLU CG C 13 36.632 0.018 . . . . . . A 62 GLU CG . 30985 1 785 . 1 . 1 62 62 GLU N N 15 118.951 0.036 . . . . . . A 62 GLU N . 30985 1 786 . 1 . 1 63 63 LEU H H 1 6.918 0.003 . . . . . . A 63 LEU H . 30985 1 787 . 1 . 1 63 63 LEU HA H 1 4.877 0.013 . . . . . . A 63 LEU HA . 30985 1 788 . 1 . 1 63 63 LEU HB2 H 1 1.648 0.008 . . . . . . A 63 LEU HB2 . 30985 1 789 . 1 . 1 63 63 LEU HB3 H 1 1.268 0.011 . . . . . . A 63 LEU HB3 . 30985 1 790 . 1 . 1 63 63 LEU HG H 1 1.469 0.008 . . . . . . A 63 LEU HG . 30985 1 791 . 1 . 1 63 63 LEU HD11 H 1 0.968 0.004 . . . . . . A 63 LEU HD11 . 30985 1 792 . 1 . 1 63 63 LEU HD12 H 1 0.968 0.004 . . . . . . A 63 LEU HD12 . 30985 1 793 . 1 . 1 63 63 LEU HD13 H 1 0.968 0.004 . . . . . . A 63 LEU HD13 . 30985 1 794 . 1 . 1 63 63 LEU HD21 H 1 0.888 0.010 . . . . . . A 63 LEU HD21 . 30985 1 795 . 1 . 1 63 63 LEU HD22 H 1 0.888 0.010 . . . . . . A 63 LEU HD22 . 30985 1 796 . 1 . 1 63 63 LEU HD23 H 1 0.888 0.010 . . . . . . A 63 LEU HD23 . 30985 1 797 . 1 . 1 63 63 LEU C C 13 177.257 0.000 . . . . . . A 63 LEU C . 30985 1 798 . 1 . 1 63 63 LEU CA C 13 53.006 0.155 . . . . . . A 63 LEU CA . 30985 1 799 . 1 . 1 63 63 LEU CB C 13 47.701 0.213 . . . . . . A 63 LEU CB . 30985 1 800 . 1 . 1 63 63 LEU CG C 13 27.316 0.055 . . . . . . A 63 LEU CG . 30985 1 801 . 1 . 1 63 63 LEU CD1 C 13 23.417 0.138 . . . . . . A 63 LEU CD1 . 30985 1 802 . 1 . 1 63 63 LEU CD2 C 13 26.277 0.000 . . . . . . A 63 LEU CD2 . 30985 1 803 . 1 . 1 63 63 LEU N N 15 116.035 0.052 . . . . . . A 63 LEU N . 30985 1 804 . 1 . 1 64 64 THR H H 1 8.135 0.008 . . . . . . A 64 THR H . 30985 1 805 . 1 . 1 64 64 THR HA H 1 4.551 0.007 . . . . . . A 64 THR HA . 30985 1 806 . 1 . 1 64 64 THR HB H 1 4.817 0.015 . . . . . . A 64 THR HB . 30985 1 807 . 1 . 1 64 64 THR HG21 H 1 1.429 0.002 . . . . . . A 64 THR HG21 . 30985 1 808 . 1 . 1 64 64 THR HG22 H 1 1.429 0.002 . . . . . . A 64 THR HG22 . 30985 1 809 . 1 . 1 64 64 THR HG23 H 1 1.429 0.002 . . . . . . A 64 THR HG23 . 30985 1 810 . 1 . 1 64 64 THR C C 13 175.082 0.000 . . . . . . A 64 THR C . 30985 1 811 . 1 . 1 64 64 THR CA C 13 60.813 0.082 . . . . . . A 64 THR CA . 30985 1 812 . 1 . 1 64 64 THR CB C 13 71.620 0.000 . . . . . . A 64 THR CB . 30985 1 813 . 1 . 1 64 64 THR CG2 C 13 22.304 0.144 . . . . . . A 64 THR CG2 . 30985 1 814 . 1 . 1 64 64 THR N N 15 111.093 0.065 . . . . . . A 64 THR N . 30985 1 815 . 1 . 1 65 65 ALA H H 1 9.300 0.007 . . . . . . A 65 ALA H . 30985 1 816 . 1 . 1 65 65 ALA HA H 1 3.288 0.009 . . . . . . A 65 ALA HA . 30985 1 817 . 1 . 1 65 65 ALA HB1 H 1 1.072 0.005 . . . . . . A 65 ALA HB1 . 30985 1 818 . 1 . 1 65 65 ALA HB2 H 1 1.072 0.005 . . . . . . A 65 ALA HB2 . 30985 1 819 . 1 . 1 65 65 ALA HB3 H 1 1.072 0.005 . . . . . . A 65 ALA HB3 . 30985 1 820 . 1 . 1 65 65 ALA C C 13 178.824 0.000 . . . . . . A 65 ALA C . 30985 1 821 . 1 . 1 65 65 ALA CA C 13 55.227 0.072 . . . . . . A 65 ALA CA . 30985 1 822 . 1 . 1 65 65 ALA CB C 13 17.560 0.067 . . . . . . A 65 ALA CB . 30985 1 823 . 1 . 1 65 65 ALA N N 15 123.434 0.042 . . . . . . A 65 ALA N . 30985 1 824 . 1 . 1 66 66 GLU H H 1 8.908 0.005 . . . . . . A 66 GLU H . 30985 1 825 . 1 . 1 66 66 GLU HA H 1 3.686 0.008 . . . . . . A 66 GLU HA . 30985 1 826 . 1 . 1 66 66 GLU HB2 H 1 2.064 0.013 . . . . . . A 66 GLU HB2 . 30985 1 827 . 1 . 1 66 66 GLU HB3 H 1 1.922 0.012 . . . . . . A 66 GLU HB3 . 30985 1 828 . 1 . 1 66 66 GLU HG2 H 1 2.554 0.007 . . . . . . A 66 GLU HG2 . 30985 1 829 . 1 . 1 66 66 GLU HG3 H 1 2.174 0.006 . . . . . . A 66 GLU HG3 . 30985 1 830 . 1 . 1 66 66 GLU C C 13 179.115 0.000 . . . . . . A 66 GLU C . 30985 1 831 . 1 . 1 66 66 GLU CA C 13 61.286 0.072 . . . . . . A 66 GLU CA . 30985 1 832 . 1 . 1 66 66 GLU CB C 13 28.673 0.053 . . . . . . A 66 GLU CB . 30985 1 833 . 1 . 1 66 66 GLU CG C 13 37.442 0.156 . . . . . . A 66 GLU CG . 30985 1 834 . 1 . 1 66 66 GLU N N 15 115.156 0.042 . . . . . . A 66 GLU N . 30985 1 835 . 1 . 1 67 67 SER H H 1 7.929 0.006 . . . . . . A 67 SER H . 30985 1 836 . 1 . 1 67 67 SER HA H 1 4.256 0.008 . . . . . . A 67 SER HA . 30985 1 837 . 1 . 1 67 67 SER HB2 H 1 3.950 0.014 . . . . . . A 67 SER HB2 . 30985 1 838 . 1 . 1 67 67 SER HB3 H 1 3.889 0.011 . . . . . . A 67 SER HB3 . 30985 1 839 . 1 . 1 67 67 SER C C 13 177.583 0.000 . . . . . . A 67 SER C . 30985 1 840 . 1 . 1 67 67 SER CA C 13 61.721 0.113 . . . . . . A 67 SER CA . 30985 1 841 . 1 . 1 67 67 SER CB C 13 63.157 0.118 . . . . . . A 67 SER CB . 30985 1 842 . 1 . 1 67 67 SER N N 15 115.977 0.033 . . . . . . A 67 SER N . 30985 1 843 . 1 . 1 68 68 ALA H H 1 8.819 0.006 . . . . . . A 68 ALA H . 30985 1 844 . 1 . 1 68 68 ALA HA H 1 3.987 0.013 . . . . . . A 68 ALA HA . 30985 1 845 . 1 . 1 68 68 ALA HB1 H 1 1.260 0.011 . . . . . . A 68 ALA HB1 . 30985 1 846 . 1 . 1 68 68 ALA HB2 H 1 1.260 0.011 . . . . . . A 68 ALA HB2 . 30985 1 847 . 1 . 1 68 68 ALA HB3 H 1 1.260 0.011 . . . . . . A 68 ALA HB3 . 30985 1 848 . 1 . 1 68 68 ALA C C 13 178.362 0.000 . . . . . . A 68 ALA C . 30985 1 849 . 1 . 1 68 68 ALA CA C 13 55.516 0.047 . . . . . . A 68 ALA CA . 30985 1 850 . 1 . 1 68 68 ALA CB C 13 17.982 0.068 . . . . . . A 68 ALA CB . 30985 1 851 . 1 . 1 68 68 ALA N N 15 125.398 0.038 . . . . . . A 68 ALA N . 30985 1 852 . 1 . 1 69 69 LEU H H 1 8.441 0.005 . . . . . . A 69 LEU H . 30985 1 853 . 1 . 1 69 69 LEU HA H 1 4.128 0.011 . . . . . . A 69 LEU HA . 30985 1 854 . 1 . 1 69 69 LEU HB2 H 1 1.838 0.012 . . . . . . A 69 LEU HB2 . 30985 1 855 . 1 . 1 69 69 LEU HB3 H 1 1.445 0.010 . . . . . . A 69 LEU HB3 . 30985 1 856 . 1 . 1 69 69 LEU HG H 1 1.583 0.014 . . . . . . A 69 LEU HG . 30985 1 857 . 1 . 1 69 69 LEU HD11 H 1 0.934 0.004 . . . . . . A 69 LEU HD11 . 30985 1 858 . 1 . 1 69 69 LEU HD12 H 1 0.934 0.004 . . . . . . A 69 LEU HD12 . 30985 1 859 . 1 . 1 69 69 LEU HD13 H 1 0.934 0.004 . . . . . . A 69 LEU HD13 . 30985 1 860 . 1 . 1 69 69 LEU HD21 H 1 0.855 0.002 . . . . . . A 69 LEU HD21 . 30985 1 861 . 1 . 1 69 69 LEU HD22 H 1 0.855 0.002 . . . . . . A 69 LEU HD22 . 30985 1 862 . 1 . 1 69 69 LEU HD23 H 1 0.855 0.002 . . . . . . A 69 LEU HD23 . 30985 1 863 . 1 . 1 69 69 LEU C C 13 178.068 0.000 . . . . . . A 69 LEU C . 30985 1 864 . 1 . 1 69 69 LEU CA C 13 58.057 0.054 . . . . . . A 69 LEU CA . 30985 1 865 . 1 . 1 69 69 LEU CB C 13 41.787 0.044 . . . . . . A 69 LEU CB . 30985 1 866 . 1 . 1 69 69 LEU CG C 13 27.170 0.000 . . . . . . A 69 LEU CG . 30985 1 867 . 1 . 1 69 69 LEU CD1 C 13 27.222 0.046 . . . . . . A 69 LEU CD1 . 30985 1 868 . 1 . 1 69 69 LEU CD2 C 13 23.320 0.000 . . . . . . A 69 LEU CD2 . 30985 1 869 . 1 . 1 69 69 LEU N N 15 118.704 0.043 . . . . . . A 69 LEU N . 30985 1 870 . 1 . 1 70 70 GLU H H 1 7.841 0.006 . . . . . . A 70 GLU H . 30985 1 871 . 1 . 1 70 70 GLU HA H 1 3.873 0.016 . . . . . . A 70 GLU HA . 30985 1 872 . 1 . 1 70 70 GLU HB2 H 1 2.155 0.014 . . . . . . A 70 GLU HB2 . 30985 1 873 . 1 . 1 70 70 GLU HB3 H 1 2.068 0.007 . . . . . . A 70 GLU HB3 . 30985 1 874 . 1 . 1 70 70 GLU HG2 H 1 2.422 0.010 . . . . . . A 70 GLU HG2 . 30985 1 875 . 1 . 1 70 70 GLU HG3 H 1 2.191 0.011 . . . . . . A 70 GLU HG3 . 30985 1 876 . 1 . 1 70 70 GLU C C 13 179.224 0.000 . . . . . . A 70 GLU C . 30985 1 877 . 1 . 1 70 70 GLU CA C 13 59.994 0.120 . . . . . . A 70 GLU CA . 30985 1 878 . 1 . 1 70 70 GLU CB C 13 29.605 0.009 . . . . . . A 70 GLU CB . 30985 1 879 . 1 . 1 70 70 GLU CG C 13 36.199 0.001 . . . . . . A 70 GLU CG . 30985 1 880 . 1 . 1 70 70 GLU N N 15 116.795 0.023 . . . . . . A 70 GLU N . 30985 1 881 . 1 . 1 71 71 SER H H 1 7.616 0.005 . . . . . . A 71 SER H . 30985 1 882 . 1 . 1 71 71 SER HA H 1 4.172 0.003 . . . . . . A 71 SER HA . 30985 1 883 . 1 . 1 71 71 SER HB2 H 1 4.127 0.003 . . . . . . A 71 SER HB2 . 30985 1 884 . 1 . 1 71 71 SER HB3 H 1 3.948 0.018 . . . . . . A 71 SER HB3 . 30985 1 885 . 1 . 1 71 71 SER C C 13 176.632 0.000 . . . . . . A 71 SER C . 30985 1 886 . 1 . 1 71 71 SER CA C 13 61.341 0.089 . . . . . . A 71 SER CA . 30985 1 887 . 1 . 1 71 71 SER CB C 13 62.390 0.010 . . . . . . A 71 SER CB . 30985 1 888 . 1 . 1 71 71 SER N N 15 113.576 0.043 . . . . . . A 71 SER N . 30985 1 889 . 1 . 1 72 72 MET H H 1 8.553 0.005 . . . . . . A 72 MET H . 30985 1 890 . 1 . 1 72 72 MET HA H 1 3.396 0.000 . . . . . . A 72 MET HA . 30985 1 891 . 1 . 1 72 72 MET HB2 H 1 2.322 0.000 . . . . . . A 72 MET HB2 . 30985 1 892 . 1 . 1 72 72 MET HB3 H 1 1.765 0.000 . . . . . . A 72 MET HB3 . 30985 1 893 . 1 . 1 72 72 MET HG2 H 1 3.378 0.008 . . . . . . A 72 MET HG2 . 30985 1 894 . 1 . 1 72 72 MET HG3 H 1 2.548 0.007 . . . . . . A 72 MET HG3 . 30985 1 895 . 1 . 1 72 72 MET HE1 H 1 2.073 0.007 . . . . . . A 72 MET HE1 . 30985 1 896 . 1 . 1 72 72 MET HE2 H 1 2.073 0.007 . . . . . . A 72 MET HE2 . 30985 1 897 . 1 . 1 72 72 MET HE3 H 1 2.073 0.007 . . . . . . A 72 MET HE3 . 30985 1 898 . 1 . 1 72 72 MET C C 13 177.668 0.000 . . . . . . A 72 MET C . 30985 1 899 . 1 . 1 72 72 MET CA C 13 60.193 0.026 . . . . . . A 72 MET CA . 30985 1 900 . 1 . 1 72 72 MET CB C 13 32.111 0.000 . . . . . . A 72 MET CB . 30985 1 901 . 1 . 1 72 72 MET CG C 13 34.283 0.076 . . . . . . A 72 MET CG . 30985 1 902 . 1 . 1 72 72 MET CE C 13 18.004 0.057 . . . . . . A 72 MET CE . 30985 1 903 . 1 . 1 72 72 MET N N 15 120.080 0.036 . . . . . . A 72 MET N . 30985 1 904 . 1 . 1 73 73 ILE H H 1 8.366 0.008 . . . . . . A 73 ILE H . 30985 1 905 . 1 . 1 73 73 ILE HA H 1 3.423 0.008 . . . . . . A 73 ILE HA . 30985 1 906 . 1 . 1 73 73 ILE HB H 1 1.772 0.010 . . . . . . A 73 ILE HB . 30985 1 907 . 1 . 1 73 73 ILE HG12 H 1 1.650 0.011 . . . . . . A 73 ILE HG12 . 30985 1 908 . 1 . 1 73 73 ILE HG13 H 1 1.280 0.005 . . . . . . A 73 ILE HG13 . 30985 1 909 . 1 . 1 73 73 ILE HG21 H 1 0.967 0.006 . . . . . . A 73 ILE HG21 . 30985 1 910 . 1 . 1 73 73 ILE HG22 H 1 0.967 0.006 . . . . . . A 73 ILE HG22 . 30985 1 911 . 1 . 1 73 73 ILE HG23 H 1 0.967 0.006 . . . . . . A 73 ILE HG23 . 30985 1 912 . 1 . 1 73 73 ILE HD11 H 1 0.745 0.007 . . . . . . A 73 ILE HD11 . 30985 1 913 . 1 . 1 73 73 ILE HD12 H 1 0.745 0.007 . . . . . . A 73 ILE HD12 . 30985 1 914 . 1 . 1 73 73 ILE HD13 H 1 0.745 0.007 . . . . . . A 73 ILE HD13 . 30985 1 915 . 1 . 1 73 73 ILE C C 13 177.993 0.000 . . . . . . A 73 ILE C . 30985 1 916 . 1 . 1 73 73 ILE CA C 13 65.840 0.084 . . . . . . A 73 ILE CA . 30985 1 917 . 1 . 1 73 73 ILE CB C 13 39.153 0.102 . . . . . . A 73 ILE CB . 30985 1 918 . 1 . 1 73 73 ILE CG1 C 13 28.692 0.033 . . . . . . A 73 ILE CG1 . 30985 1 919 . 1 . 1 73 73 ILE CG2 C 13 17.531 0.090 . . . . . . A 73 ILE CG2 . 30985 1 920 . 1 . 1 73 73 ILE CD1 C 13 14.888 0.058 . . . . . . A 73 ILE CD1 . 30985 1 921 . 1 . 1 73 73 ILE N N 15 118.958 0.079 . . . . . . A 73 ILE N . 30985 1 922 . 1 . 1 74 74 LYS H H 1 7.662 0.005 . . . . . . A 74 LYS H . 30985 1 923 . 1 . 1 74 74 LYS HA H 1 3.895 0.008 . . . . . . A 74 LYS HA . 30985 1 924 . 1 . 1 74 74 LYS HB2 H 1 1.993 0.001 . . . . . . A 74 LYS HB2 . 30985 1 925 . 1 . 1 74 74 LYS HB3 H 1 1.993 0.001 . . . . . . A 74 LYS HB3 . 30985 1 926 . 1 . 1 74 74 LYS HG2 H 1 1.671 0.007 . . . . . . A 74 LYS HG2 . 30985 1 927 . 1 . 1 74 74 LYS HG3 H 1 1.397 0.004 . . . . . . A 74 LYS HG3 . 30985 1 928 . 1 . 1 74 74 LYS HD2 H 1 1.644 0.003 . . . . . . A 74 LYS HD2 . 30985 1 929 . 1 . 1 74 74 LYS HD3 H 1 1.644 0.003 . . . . . . A 74 LYS HD3 . 30985 1 930 . 1 . 1 74 74 LYS HE2 H 1 2.965 0.008 . . . . . . A 74 LYS HE2 . 30985 1 931 . 1 . 1 74 74 LYS HE3 H 1 2.965 0.008 . . . . . . A 74 LYS HE3 . 30985 1 932 . 1 . 1 74 74 LYS C C 13 179.694 0.000 . . . . . . A 74 LYS C . 30985 1 933 . 1 . 1 74 74 LYS CA C 13 60.651 0.121 . . . . . . A 74 LYS CA . 30985 1 934 . 1 . 1 74 74 LYS CB C 13 32.353 0.033 . . . . . . A 74 LYS CB . 30985 1 935 . 1 . 1 74 74 LYS CG C 13 25.726 0.033 . . . . . . A 74 LYS CG . 30985 1 936 . 1 . 1 74 74 LYS CD C 13 30.100 0.000 . . . . . . A 74 LYS CD . 30985 1 937 . 1 . 1 74 74 LYS CE C 13 42.370 0.000 . . . . . . A 74 LYS CE . 30985 1 938 . 1 . 1 74 74 LYS N N 15 119.648 0.085 . . . . . . A 74 LYS N . 30985 1 939 . 1 . 1 75 75 ILE H H 1 8.330 0.012 . . . . . . A 75 ILE H . 30985 1 940 . 1 . 1 75 75 ILE HA H 1 3.547 0.017 . . . . . . A 75 ILE HA . 30985 1 941 . 1 . 1 75 75 ILE HB H 1 1.896 0.007 . . . . . . A 75 ILE HB . 30985 1 942 . 1 . 1 75 75 ILE HG12 H 1 1.772 0.012 . . . . . . A 75 ILE HG12 . 30985 1 943 . 1 . 1 75 75 ILE HG13 H 1 1.034 0.013 . . . . . . A 75 ILE HG13 . 30985 1 944 . 1 . 1 75 75 ILE HG21 H 1 0.917 0.009 . . . . . . A 75 ILE HG21 . 30985 1 945 . 1 . 1 75 75 ILE HG22 H 1 0.917 0.009 . . . . . . A 75 ILE HG22 . 30985 1 946 . 1 . 1 75 75 ILE HG23 H 1 0.917 0.009 . . . . . . A 75 ILE HG23 . 30985 1 947 . 1 . 1 75 75 ILE HD11 H 1 0.784 0.009 . . . . . . A 75 ILE HD11 . 30985 1 948 . 1 . 1 75 75 ILE HD12 H 1 0.784 0.009 . . . . . . A 75 ILE HD12 . 30985 1 949 . 1 . 1 75 75 ILE HD13 H 1 0.784 0.009 . . . . . . A 75 ILE HD13 . 30985 1 950 . 1 . 1 75 75 ILE C C 13 179.478 0.000 . . . . . . A 75 ILE C . 30985 1 951 . 1 . 1 75 75 ILE CA C 13 65.004 0.184 . . . . . . A 75 ILE CA . 30985 1 952 . 1 . 1 75 75 ILE CB C 13 37.793 0.133 . . . . . . A 75 ILE CB . 30985 1 953 . 1 . 1 75 75 ILE CG1 C 13 29.667 0.172 . . . . . . A 75 ILE CG1 . 30985 1 954 . 1 . 1 75 75 ILE CG2 C 13 18.672 0.183 . . . . . . A 75 ILE CG2 . 30985 1 955 . 1 . 1 75 75 ILE CD1 C 13 14.201 0.148 . . . . . . A 75 ILE CD1 . 30985 1 956 . 1 . 1 75 75 ILE N N 15 119.951 0.081 . . . . . . A 75 ILE N . 30985 1 957 . 1 . 1 76 76 ALA H H 1 8.486 0.011 . . . . . . A 76 ALA H . 30985 1 958 . 1 . 1 76 76 ALA HA H 1 3.705 0.011 . . . . . . A 76 ALA HA . 30985 1 959 . 1 . 1 76 76 ALA HB1 H 1 1.613 0.003 . . . . . . A 76 ALA HB1 . 30985 1 960 . 1 . 1 76 76 ALA HB2 H 1 1.613 0.003 . . . . . . A 76 ALA HB2 . 30985 1 961 . 1 . 1 76 76 ALA HB3 H 1 1.613 0.003 . . . . . . A 76 ALA HB3 . 30985 1 962 . 1 . 1 76 76 ALA C C 13 178.908 0.000 . . . . . . A 76 ALA C . 30985 1 963 . 1 . 1 76 76 ALA CA C 13 55.922 0.123 . . . . . . A 76 ALA CA . 30985 1 964 . 1 . 1 76 76 ALA CB C 13 18.758 0.051 . . . . . . A 76 ALA CB . 30985 1 965 . 1 . 1 76 76 ALA N N 15 125.136 0.062 . . . . . . A 76 ALA N . 30985 1 966 . 1 . 1 77 77 LYS H H 1 8.682 0.007 . . . . . . A 77 LYS H . 30985 1 967 . 1 . 1 77 77 LYS HA H 1 3.892 0.006 . . . . . . A 77 LYS HA . 30985 1 968 . 1 . 1 77 77 LYS HB2 H 1 1.974 0.019 . . . . . . A 77 LYS HB2 . 30985 1 969 . 1 . 1 77 77 LYS HB3 H 1 1.869 0.012 . . . . . . A 77 LYS HB3 . 30985 1 970 . 1 . 1 77 77 LYS HG2 H 1 1.739 0.004 . . . . . . A 77 LYS HG2 . 30985 1 971 . 1 . 1 77 77 LYS HG3 H 1 1.432 0.011 . . . . . . A 77 LYS HG3 . 30985 1 972 . 1 . 1 77 77 LYS HD2 H 1 1.648 0.012 . . . . . . A 77 LYS HD2 . 30985 1 973 . 1 . 1 77 77 LYS HD3 H 1 1.648 0.012 . . . . . . A 77 LYS HD3 . 30985 1 974 . 1 . 1 77 77 LYS HE2 H 1 2.958 0.017 . . . . . . A 77 LYS HE2 . 30985 1 975 . 1 . 1 77 77 LYS HE3 H 1 2.958 0.017 . . . . . . A 77 LYS HE3 . 30985 1 976 . 1 . 1 77 77 LYS C C 13 179.961 0.000 . . . . . . A 77 LYS C . 30985 1 977 . 1 . 1 77 77 LYS CA C 13 60.368 0.067 . . . . . . A 77 LYS CA . 30985 1 978 . 1 . 1 77 77 LYS CB C 13 32.908 0.011 . . . . . . A 77 LYS CB . 30985 1 979 . 1 . 1 77 77 LYS CG C 13 26.859 0.069 . . . . . . A 77 LYS CG . 30985 1 980 . 1 . 1 77 77 LYS CD C 13 29.860 0.000 . . . . . . A 77 LYS CD . 30985 1 981 . 1 . 1 77 77 LYS CE C 13 41.830 0.000 . . . . . . A 77 LYS CE . 30985 1 982 . 1 . 1 77 77 LYS N N 15 117.960 0.076 . . . . . . A 77 LYS N . 30985 1 983 . 1 . 1 78 78 LEU H H 1 8.062 0.019 . . . . . . A 78 LEU H . 30985 1 984 . 1 . 1 78 78 LEU HA H 1 4.058 0.012 . . . . . . A 78 LEU HA . 30985 1 985 . 1 . 1 78 78 LEU HB2 H 1 1.767 0.003 . . . . . . A 78 LEU HB2 . 30985 1 986 . 1 . 1 78 78 LEU HB3 H 1 1.767 0.003 . . . . . . A 78 LEU HB3 . 30985 1 987 . 1 . 1 78 78 LEU HG H 1 1.705 0.008 . . . . . . A 78 LEU HG . 30985 1 988 . 1 . 1 78 78 LEU HD11 H 1 0.861 0.004 . . . . . . A 78 LEU HD11 . 30985 1 989 . 1 . 1 78 78 LEU HD12 H 1 0.861 0.004 . . . . . . A 78 LEU HD12 . 30985 1 990 . 1 . 1 78 78 LEU HD13 H 1 0.861 0.004 . . . . . . A 78 LEU HD13 . 30985 1 991 . 1 . 1 78 78 LEU HD21 H 1 0.809 0.006 . . . . . . A 78 LEU HD21 . 30985 1 992 . 1 . 1 78 78 LEU HD22 H 1 0.809 0.006 . . . . . . A 78 LEU HD22 . 30985 1 993 . 1 . 1 78 78 LEU HD23 H 1 0.809 0.006 . . . . . . A 78 LEU HD23 . 30985 1 994 . 1 . 1 78 78 LEU C C 13 179.498 0.000 . . . . . . A 78 LEU C . 30985 1 995 . 1 . 1 78 78 LEU CA C 13 57.797 0.056 . . . . . . A 78 LEU CA . 30985 1 996 . 1 . 1 78 78 LEU CB C 13 41.840 0.039 . . . . . . A 78 LEU CB . 30985 1 997 . 1 . 1 78 78 LEU CG C 13 26.740 0.000 . . . . . . A 78 LEU CG . 30985 1 998 . 1 . 1 78 78 LEU N N 15 120.352 0.098 . . . . . . A 78 LEU N . 30985 1 999 . 1 . 1 79 79 SER H H 1 8.189 0.010 . . . . . . A 79 SER H . 30985 1 1000 . 1 . 1 79 79 SER HA H 1 3.911 0.000 . . . . . . A 79 SER HA . 30985 1 1001 . 1 . 1 79 79 SER HB2 H 1 2.987 0.010 . . . . . . A 79 SER HB2 . 30985 1 1002 . 1 . 1 79 79 SER HB3 H 1 2.813 0.012 . . . . . . A 79 SER HB3 . 30985 1 1003 . 1 . 1 79 79 SER C C 13 175.521 0.000 . . . . . . A 79 SER C . 30985 1 1004 . 1 . 1 79 79 SER CA C 13 62.245 0.034 . . . . . . A 79 SER CA . 30985 1 1005 . 1 . 1 79 79 SER CB C 13 61.720 0.000 . . . . . . A 79 SER CB . 30985 1 1006 . 1 . 1 79 79 SER N N 15 115.462 0.095 . . . . . . A 79 SER N . 30985 1 1007 . 1 . 1 80 80 ASN H H 1 8.076 0.005 . . . . . . A 80 ASN H . 30985 1 1008 . 1 . 1 80 80 ASN HA H 1 4.589 0.006 . . . . . . A 80 ASN HA . 30985 1 1009 . 1 . 1 80 80 ASN HB2 H 1 2.839 0.012 . . . . . . A 80 ASN HB2 . 30985 1 1010 . 1 . 1 80 80 ASN HB3 H 1 2.692 0.007 . . . . . . A 80 ASN HB3 . 30985 1 1011 . 1 . 1 80 80 ASN HD21 H 1 7.722 0.004 . . . . . . A 80 ASN HD21 . 30985 1 1012 . 1 . 1 80 80 ASN HD22 H 1 6.336 0.007 . . . . . . A 80 ASN HD22 . 30985 1 1013 . 1 . 1 80 80 ASN C C 13 176.523 0.000 . . . . . . A 80 ASN C . 30985 1 1014 . 1 . 1 80 80 ASN CA C 13 55.058 0.056 . . . . . . A 80 ASN CA . 30985 1 1015 . 1 . 1 80 80 ASN CB C 13 38.600 0.000 . . . . . . A 80 ASN CB . 30985 1 1016 . 1 . 1 80 80 ASN N N 15 119.397 0.014 . . . . . . A 80 ASN N . 30985 1 1017 . 1 . 1 80 80 ASN ND2 N 15 111.316 0.043 . . . . . . A 80 ASN ND2 . 30985 1 1018 . 1 . 1 81 81 GLN H H 1 7.707 0.007 . . . . . . A 81 GLN H . 30985 1 1019 . 1 . 1 81 81 GLN HA H 1 4.087 0.004 . . . . . . A 81 GLN HA . 30985 1 1020 . 1 . 1 81 81 GLN HB2 H 1 2.188 0.007 . . . . . . A 81 GLN HB2 . 30985 1 1021 . 1 . 1 81 81 GLN HB3 H 1 2.133 0.005 . . . . . . A 81 GLN HB3 . 30985 1 1022 . 1 . 1 81 81 GLN HG2 H 1 2.498 0.004 . . . . . . A 81 GLN HG2 . 30985 1 1023 . 1 . 1 81 81 GLN HG3 H 1 2.401 0.005 . . . . . . A 81 GLN HG3 . 30985 1 1024 . 1 . 1 81 81 GLN HE21 H 1 7.417 0.003 . . . . . . A 81 GLN HE21 . 30985 1 1025 . 1 . 1 81 81 GLN HE22 H 1 6.847 0.003 . . . . . . A 81 GLN HE22 . 30985 1 1026 . 1 . 1 81 81 GLN C C 13 177.594 0.000 . . . . . . A 81 GLN C . 30985 1 1027 . 1 . 1 81 81 GLN CA C 13 57.933 0.028 . . . . . . A 81 GLN CA . 30985 1 1028 . 1 . 1 81 81 GLN CB C 13 29.530 0.000 . . . . . . A 81 GLN CB . 30985 1 1029 . 1 . 1 81 81 GLN N N 15 118.725 0.042 . . . . . . A 81 GLN N . 30985 1 1030 . 1 . 1 81 81 GLN NE2 N 15 111.410 0.025 . . . . . . A 81 GLN NE2 . 30985 1 1031 . 1 . 1 82 82 LEU H H 1 8.119 0.022 . . . . . . A 82 LEU H . 30985 1 1032 . 1 . 1 82 82 LEU HA H 1 4.140 0.022 . . . . . . A 82 LEU HA . 30985 1 1033 . 1 . 1 82 82 LEU HB2 H 1 1.709 0.007 . . . . . . A 82 LEU HB2 . 30985 1 1034 . 1 . 1 82 82 LEU HB3 H 1 1.639 0.002 . . . . . . A 82 LEU HB3 . 30985 1 1035 . 1 . 1 82 82 LEU HG H 1 1.555 0.007 . . . . . . A 82 LEU HG . 30985 1 1036 . 1 . 1 82 82 LEU HD11 H 1 0.857 0.008 . . . . . . A 82 LEU HD11 . 30985 1 1037 . 1 . 1 82 82 LEU HD12 H 1 0.857 0.008 . . . . . . A 82 LEU HD12 . 30985 1 1038 . 1 . 1 82 82 LEU HD13 H 1 0.857 0.008 . . . . . . A 82 LEU HD13 . 30985 1 1039 . 1 . 1 82 82 LEU HD21 H 1 0.807 0.006 . . . . . . A 82 LEU HD21 . 30985 1 1040 . 1 . 1 82 82 LEU HD22 H 1 0.807 0.006 . . . . . . A 82 LEU HD22 . 30985 1 1041 . 1 . 1 82 82 LEU HD23 H 1 0.807 0.006 . . . . . . A 82 LEU HD23 . 30985 1 1042 . 1 . 1 82 82 LEU C C 13 178.108 0.000 . . . . . . A 82 LEU C . 30985 1 1043 . 1 . 1 82 82 LEU CA C 13 56.746 0.007 . . . . . . A 82 LEU CA . 30985 1 1044 . 1 . 1 82 82 LEU CB C 13 42.086 0.019 . . . . . . A 82 LEU CB . 30985 1 1045 . 1 . 1 82 82 LEU CD2 C 13 23.430 0.000 . . . . . . A 82 LEU CD2 . 30985 1 1046 . 1 . 1 82 82 LEU N N 15 120.357 0.082 . . . . . . A 82 LEU N . 30985 1 1047 . 1 . 1 83 83 ASN H H 1 7.988 0.007 . . . . . . A 83 ASN H . 30985 1 1048 . 1 . 1 83 83 ASN HA H 1 4.652 0.007 . . . . . . A 83 ASN HA . 30985 1 1049 . 1 . 1 83 83 ASN HB2 H 1 2.878 0.001 . . . . . . A 83 ASN HB2 . 30985 1 1050 . 1 . 1 83 83 ASN HB3 H 1 2.822 0.002 . . . . . . A 83 ASN HB3 . 30985 1 1051 . 1 . 1 83 83 ASN HD21 H 1 7.776 0.010 . . . . . . A 83 ASN HD21 . 30985 1 1052 . 1 . 1 83 83 ASN HD22 H 1 6.798 0.009 . . . . . . A 83 ASN HD22 . 30985 1 1053 . 1 . 1 83 83 ASN C C 13 175.971 0.000 . . . . . . A 83 ASN C . 30985 1 1054 . 1 . 1 83 83 ASN CA C 13 53.976 0.050 . . . . . . A 83 ASN CA . 30985 1 1055 . 1 . 1 83 83 ASN CB C 13 38.900 0.000 . . . . . . A 83 ASN CB . 30985 1 1056 . 1 . 1 83 83 ASN N N 15 116.928 0.050 . . . . . . A 83 ASN N . 30985 1 1057 . 1 . 1 83 83 ASN ND2 N 15 112.400 0.000 . . . . . . A 83 ASN ND2 . 30985 1 1058 . 1 . 1 84 84 ARG H H 1 7.826 0.027 . . . . . . A 84 ARG H . 30985 1 1059 . 1 . 1 84 84 ARG HA H 1 4.141 0.005 . . . . . . A 84 ARG HA . 30985 1 1060 . 1 . 1 84 84 ARG HB2 H 1 1.770 0.005 . . . . . . A 84 ARG HB2 . 30985 1 1061 . 1 . 1 84 84 ARG HB3 H 1 1.770 0.005 . . . . . . A 84 ARG HB3 . 30985 1 1062 . 1 . 1 84 84 ARG HG2 H 1 1.536 0.007 . . . . . . A 84 ARG HG2 . 30985 1 1063 . 1 . 1 84 84 ARG HG3 H 1 1.536 0.007 . . . . . . A 84 ARG HG3 . 30985 1 1064 . 1 . 1 84 84 ARG HD2 H 1 3.156 0.007 . . . . . . A 84 ARG HD2 . 30985 1 1065 . 1 . 1 84 84 ARG HD3 H 1 3.156 0.007 . . . . . . A 84 ARG HD3 . 30985 1 1066 . 1 . 1 84 84 ARG HE H 1 7.255 0.000 . . . . . . A 84 ARG HE . 30985 1 1067 . 1 . 1 84 84 ARG CA C 13 57.674 0.000 . . . . . . A 84 ARG CA . 30985 1 1068 . 1 . 1 84 84 ARG CB C 13 30.278 0.123 . . . . . . A 84 ARG CB . 30985 1 1069 . 1 . 1 84 84 ARG CG C 13 27.200 0.000 . . . . . . A 84 ARG CG . 30985 1 1070 . 1 . 1 84 84 ARG N N 15 119.914 0.087 . . . . . . A 84 ARG N . 30985 1 1071 . 1 . 1 84 84 ARG NE N 15 118.238 0.000 . . . . . . A 84 ARG NE . 30985 1 1072 . 1 . 1 85 85 HIS HA H 1 4.659 0.012 . . . . . . A 85 HIS HA . 30985 1 1073 . 1 . 1 85 85 HIS HB2 H 1 3.296 0.003 . . . . . . A 85 HIS HB2 . 30985 1 1074 . 1 . 1 85 85 HIS HB3 H 1 3.172 0.012 . . . . . . A 85 HIS HB3 . 30985 1 1075 . 1 . 1 85 85 HIS C C 13 175.148 0.000 . . . . . . A 85 HIS C . 30985 1 1076 . 1 . 1 85 85 HIS CA C 13 56.340 0.009 . . . . . . A 85 HIS CA . 30985 1 1077 . 1 . 1 85 85 HIS CB C 13 29.420 0.000 . . . . . . A 85 HIS CB . 30985 1 1078 . 1 . 1 86 86 THR H H 1 7.769 0.009 . . . . . . A 86 THR H . 30985 1 1079 . 1 . 1 86 86 THR HA H 1 4.343 0.009 . . . . . . A 86 THR HA . 30985 1 1080 . 1 . 1 86 86 THR HB H 1 4.210 0.004 . . . . . . A 86 THR HB . 30985 1 1081 . 1 . 1 86 86 THR HG21 H 1 1.140 0.011 . . . . . . A 86 THR HG21 . 30985 1 1082 . 1 . 1 86 86 THR HG22 H 1 1.140 0.011 . . . . . . A 86 THR HG22 . 30985 1 1083 . 1 . 1 86 86 THR HG23 H 1 1.140 0.011 . . . . . . A 86 THR HG23 . 30985 1 1084 . 1 . 1 86 86 THR C C 13 174.764 0.000 . . . . . . A 86 THR C . 30985 1 1085 . 1 . 1 86 86 THR CA C 13 62.250 0.060 . . . . . . A 86 THR CA . 30985 1 1086 . 1 . 1 86 86 THR CB C 13 70.239 0.002 . . . . . . A 86 THR CB . 30985 1 1087 . 1 . 1 86 86 THR CG2 C 13 21.566 0.084 . . . . . . A 86 THR CG2 . 30985 1 1088 . 1 . 1 86 86 THR N N 15 112.930 0.161 . . . . . . A 86 THR N . 30985 1 1089 . 1 . 1 87 87 PHE H H 1 8.315 0.018 . . . . . . A 87 PHE H . 30985 1 1090 . 1 . 1 87 87 PHE HA H 1 4.611 0.011 . . . . . . A 87 PHE HA . 30985 1 1091 . 1 . 1 87 87 PHE HB2 H 1 3.165 0.011 . . . . . . A 87 PHE HB2 . 30985 1 1092 . 1 . 1 87 87 PHE HB3 H 1 3.051 0.005 . . . . . . A 87 PHE HB3 . 30985 1 1093 . 1 . 1 87 87 PHE HD1 H 1 7.180 0.004 . . . . . . A 87 PHE HD1 . 30985 1 1094 . 1 . 1 87 87 PHE HD2 H 1 7.180 0.004 . . . . . . A 87 PHE HD2 . 30985 1 1095 . 1 . 1 87 87 PHE HE1 H 1 7.344 0.019 . . . . . . A 87 PHE HE1 . 30985 1 1096 . 1 . 1 87 87 PHE HE2 H 1 7.344 0.019 . . . . . . A 87 PHE HE2 . 30985 1 1097 . 1 . 1 87 87 PHE C C 13 176.331 0.000 . . . . . . A 87 PHE C . 30985 1 1098 . 1 . 1 87 87 PHE CA C 13 58.429 0.078 . . . . . . A 87 PHE CA . 30985 1 1099 . 1 . 1 87 87 PHE CB C 13 38.995 0.079 . . . . . . A 87 PHE CB . 30985 1 1100 . 1 . 1 87 87 PHE CD1 C 13 131.600 0.000 . . . . . . A 87 PHE CD1 . 30985 1 1101 . 1 . 1 87 87 PHE CD2 C 13 131.600 0.000 . . . . . . A 87 PHE CD2 . 30985 1 1102 . 1 . 1 87 87 PHE CE1 C 13 131.600 0.000 . . . . . . A 87 PHE CE1 . 30985 1 1103 . 1 . 1 87 87 PHE CE2 C 13 131.600 0.000 . . . . . . A 87 PHE CE2 . 30985 1 1104 . 1 . 1 87 87 PHE N N 15 120.926 0.076 . . . . . . A 87 PHE N . 30985 1 1105 . 1 . 1 88 88 PHE H H 1 8.148 0.006 . . . . . . A 88 PHE H . 30985 1 1106 . 1 . 1 88 88 PHE HA H 1 4.384 0.005 . . . . . . A 88 PHE HA . 30985 1 1107 . 1 . 1 88 88 PHE HB2 H 1 3.163 0.016 . . . . . . A 88 PHE HB2 . 30985 1 1108 . 1 . 1 88 88 PHE HB3 H 1 3.104 0.028 . . . . . . A 88 PHE HB3 . 30985 1 1109 . 1 . 1 88 88 PHE HD1 H 1 7.283 0.009 . . . . . . A 88 PHE HD1 . 30985 1 1110 . 1 . 1 88 88 PHE HD2 H 1 7.283 0.009 . . . . . . A 88 PHE HD2 . 30985 1 1111 . 1 . 1 88 88 PHE HE1 H 1 7.387 0.003 . . . . . . A 88 PHE HE1 . 30985 1 1112 . 1 . 1 88 88 PHE HE2 H 1 7.387 0.003 . . . . . . A 88 PHE HE2 . 30985 1 1113 . 1 . 1 88 88 PHE C C 13 176.168 0.000 . . . . . . A 88 PHE C . 30985 1 1114 . 1 . 1 88 88 PHE CA C 13 59.684 0.089 . . . . . . A 88 PHE CA . 30985 1 1115 . 1 . 1 88 88 PHE CB C 13 39.343 0.118 . . . . . . A 88 PHE CB . 30985 1 1116 . 1 . 1 88 88 PHE CD1 C 13 131.769 0.041 . . . . . . A 88 PHE CD1 . 30985 1 1117 . 1 . 1 88 88 PHE CD2 C 13 131.769 0.041 . . . . . . A 88 PHE CD2 . 30985 1 1118 . 1 . 1 88 88 PHE CE1 C 13 131.700 0.000 . . . . . . A 88 PHE CE1 . 30985 1 1119 . 1 . 1 88 88 PHE CE2 C 13 131.700 0.000 . . . . . . A 88 PHE CE2 . 30985 1 1120 . 1 . 1 88 88 PHE N N 15 120.300 0.034 . . . . . . A 88 PHE N . 30985 1 1121 . 1 . 1 89 89 ASN H H 1 8.318 0.010 . . . . . . A 89 ASN H . 30985 1 1122 . 1 . 1 89 89 ASN HA H 1 4.500 0.007 . . . . . . A 89 ASN HA . 30985 1 1123 . 1 . 1 89 89 ASN HB2 H 1 2.849 0.011 . . . . . . A 89 ASN HB2 . 30985 1 1124 . 1 . 1 89 89 ASN HB3 H 1 2.785 0.003 . . . . . . A 89 ASN HB3 . 30985 1 1125 . 1 . 1 89 89 ASN HD21 H 1 7.602 0.004 . . . . . . A 89 ASN HD21 . 30985 1 1126 . 1 . 1 89 89 ASN HD22 H 1 6.941 0.005 . . . . . . A 89 ASN HD22 . 30985 1 1127 . 1 . 1 89 89 ASN C C 13 175.588 0.000 . . . . . . A 89 ASN C . 30985 1 1128 . 1 . 1 89 89 ASN CA C 13 54.257 0.062 . . . . . . A 89 ASN CA . 30985 1 1129 . 1 . 1 89 89 ASN CB C 13 38.275 0.098 . . . . . . A 89 ASN CB . 30985 1 1130 . 1 . 1 89 89 ASN N N 15 117.887 0.030 . . . . . . A 89 ASN N . 30985 1 1131 . 1 . 1 89 89 ASN ND2 N 15 111.920 0.036 . . . . . . A 89 ASN ND2 . 30985 1 1132 . 1 . 1 90 90 GLN H H 1 8.032 0.006 . . . . . . A 90 GLN H . 30985 1 1133 . 1 . 1 90 90 GLN HA H 1 4.232 0.004 . . . . . . A 90 GLN HA . 30985 1 1134 . 1 . 1 90 90 GLN HB2 H 1 2.165 0.009 . . . . . . A 90 GLN HB2 . 30985 1 1135 . 1 . 1 90 90 GLN HB3 H 1 2.057 0.003 . . . . . . A 90 GLN HB3 . 30985 1 1136 . 1 . 1 90 90 GLN HG2 H 1 2.395 0.002 . . . . . . A 90 GLN HG2 . 30985 1 1137 . 1 . 1 90 90 GLN HG3 H 1 2.395 0.002 . . . . . . A 90 GLN HG3 . 30985 1 1138 . 1 . 1 90 90 GLN HE21 H 1 7.520 0.003 . . . . . . A 90 GLN HE21 . 30985 1 1139 . 1 . 1 90 90 GLN HE22 H 1 6.838 0.003 . . . . . . A 90 GLN HE22 . 30985 1 1140 . 1 . 1 90 90 GLN C C 13 176.150 0.000 . . . . . . A 90 GLN C . 30985 1 1141 . 1 . 1 90 90 GLN CA C 13 56.810 0.061 . . . . . . A 90 GLN CA . 30985 1 1142 . 1 . 1 90 90 GLN CB C 13 29.259 0.041 . . . . . . A 90 GLN CB . 30985 1 1143 . 1 . 1 90 90 GLN CG C 13 34.050 0.000 . . . . . . A 90 GLN CG . 30985 1 1144 . 1 . 1 90 90 GLN N N 15 118.063 0.043 . . . . . . A 90 GLN N . 30985 1 1145 . 1 . 1 90 90 GLN NE2 N 15 111.938 0.011 . . . . . . A 90 GLN NE2 . 30985 1 1146 . 1 . 1 91 91 ARG H H 1 7.975 0.009 . . . . . . A 91 ARG H . 30985 1 1147 . 1 . 1 91 91 ARG HA H 1 4.283 0.014 . . . . . . A 91 ARG HA . 30985 1 1148 . 1 . 1 91 91 ARG HB2 H 1 1.873 0.007 . . . . . . A 91 ARG HB2 . 30985 1 1149 . 1 . 1 91 91 ARG HB3 H 1 1.783 0.008 . . . . . . A 91 ARG HB3 . 30985 1 1150 . 1 . 1 91 91 ARG HG2 H 1 1.668 0.006 . . . . . . A 91 ARG HG2 . 30985 1 1151 . 1 . 1 91 91 ARG HG3 H 1 1.668 0.006 . . . . . . A 91 ARG HG3 . 30985 1 1152 . 1 . 1 91 91 ARG HD2 H 1 3.177 0.016 . . . . . . A 91 ARG HD2 . 30985 1 1153 . 1 . 1 91 91 ARG HD3 H 1 3.177 0.016 . . . . . . A 91 ARG HD3 . 30985 1 1154 . 1 . 1 91 91 ARG HE H 1 7.351 0.010 . . . . . . A 91 ARG HE . 30985 1 1155 . 1 . 1 91 91 ARG C C 13 176.123 0.000 . . . . . . A 91 ARG C . 30985 1 1156 . 1 . 1 91 91 ARG CA C 13 56.555 0.054 . . . . . . A 91 ARG CA . 30985 1 1157 . 1 . 1 91 91 ARG CB C 13 31.042 0.037 . . . . . . A 91 ARG CB . 30985 1 1158 . 1 . 1 91 91 ARG CG C 13 27.336 0.033 . . . . . . A 91 ARG CG . 30985 1 1159 . 1 . 1 91 91 ARG CD C 13 43.360 0.000 . . . . . . A 91 ARG CD . 30985 1 1160 . 1 . 1 91 91 ARG N N 15 119.049 0.077 . . . . . . A 91 ARG N . 30985 1 1161 . 1 . 1 91 91 ARG NE N 15 118.238 0.000 . . . . . . A 91 ARG NE . 30985 1 1162 . 1 . 1 92 92 GLN H H 1 8.352 0.010 . . . . . . A 92 GLN H . 30985 1 1163 . 1 . 1 92 92 GLN HA H 1 4.701 0.014 . . . . . . A 92 GLN HA . 30985 1 1164 . 1 . 1 92 92 GLN HB2 H 1 2.270 0.007 . . . . . . A 92 GLN HB2 . 30985 1 1165 . 1 . 1 92 92 GLN HB3 H 1 1.753 0.009 . . . . . . A 92 GLN HB3 . 30985 1 1166 . 1 . 1 92 92 GLN HG2 H 1 2.266 0.007 . . . . . . A 92 GLN HG2 . 30985 1 1167 . 1 . 1 92 92 GLN HG3 H 1 2.266 0.007 . . . . . . A 92 GLN HG3 . 30985 1 1168 . 1 . 1 92 92 GLN HE21 H 1 7.719 0.001 . . . . . . A 92 GLN HE21 . 30985 1 1169 . 1 . 1 92 92 GLN HE22 H 1 6.993 0.004 . . . . . . A 92 GLN HE22 . 30985 1 1170 . 1 . 1 92 92 GLN CA C 13 53.750 0.000 . . . . . . A 92 GLN CA . 30985 1 1171 . 1 . 1 92 92 GLN CB C 13 28.661 0.066 . . . . . . A 92 GLN CB . 30985 1 1172 . 1 . 1 92 92 GLN CG C 13 33.922 0.044 . . . . . . A 92 GLN CG . 30985 1 1173 . 1 . 1 92 92 GLN N N 15 120.440 0.093 . . . . . . A 92 GLN N . 30985 1 1174 . 1 . 1 92 92 GLN NE2 N 15 112.896 0.010 . . . . . . A 92 GLN NE2 . 30985 1 1175 . 1 . 1 93 93 PRO HA H 1 4.393 0.015 . . . . . . A 93 PRO HA . 30985 1 1176 . 1 . 1 93 93 PRO HB2 H 1 2.304 0.021 . . . . . . A 93 PRO HB2 . 30985 1 1177 . 1 . 1 93 93 PRO HB3 H 1 1.943 0.022 . . . . . . A 93 PRO HB3 . 30985 1 1178 . 1 . 1 93 93 PRO HG2 H 1 2.046 0.019 . . . . . . A 93 PRO HG2 . 30985 1 1179 . 1 . 1 93 93 PRO HG3 H 1 1.974 0.017 . . . . . . A 93 PRO HG3 . 30985 1 1180 . 1 . 1 93 93 PRO HD2 H 1 3.778 0.035 . . . . . . A 93 PRO HD2 . 30985 1 1181 . 1 . 1 93 93 PRO HD3 H 1 3.606 0.045 . . . . . . A 93 PRO HD3 . 30985 1 1182 . 1 . 1 93 93 PRO C C 13 178.925 0.000 . . . . . . A 93 PRO C . 30985 1 1183 . 1 . 1 93 93 PRO CA C 13 65.110 0.014 . . . . . . A 93 PRO CA . 30985 1 1184 . 1 . 1 93 93 PRO CB C 13 32.114 0.132 . . . . . . A 93 PRO CB . 30985 1 1185 . 1 . 1 93 93 PRO CG C 13 27.513 0.070 . . . . . . A 93 PRO CG . 30985 1 1186 . 1 . 1 93 93 PRO CD C 13 50.590 0.043 . . . . . . A 93 PRO CD . 30985 1 1187 . 1 . 1 94 94 GLU H H 1 9.503 0.006 . . . . . . A 94 GLU H . 30985 1 1188 . 1 . 1 94 94 GLU HA H 1 3.978 0.005 . . . . . . A 94 GLU HA . 30985 1 1189 . 1 . 1 94 94 GLU HB2 H 1 1.933 0.015 . . . . . . A 94 GLU HB2 . 30985 1 1190 . 1 . 1 94 94 GLU HB3 H 1 1.933 0.015 . . . . . . A 94 GLU HB3 . 30985 1 1191 . 1 . 1 94 94 GLU HG2 H 1 2.284 0.011 . . . . . . A 94 GLU HG2 . 30985 1 1192 . 1 . 1 94 94 GLU HG3 H 1 2.284 0.011 . . . . . . A 94 GLU HG3 . 30985 1 1193 . 1 . 1 94 94 GLU C C 13 179.289 0.000 . . . . . . A 94 GLU C . 30985 1 1194 . 1 . 1 94 94 GLU CA C 13 60.591 0.081 . . . . . . A 94 GLU CA . 30985 1 1195 . 1 . 1 94 94 GLU CB C 13 28.618 0.164 . . . . . . A 94 GLU CB . 30985 1 1196 . 1 . 1 94 94 GLU CG C 13 37.090 0.000 . . . . . . A 94 GLU CG . 30985 1 1197 . 1 . 1 94 94 GLU N N 15 119.087 0.022 . . . . . . A 94 GLU N . 30985 1 1198 . 1 . 1 95 95 THR H H 1 7.871 0.008 . . . . . . A 95 THR H . 30985 1 1199 . 1 . 1 95 95 THR HA H 1 3.722 0.005 . . . . . . A 95 THR HA . 30985 1 1200 . 1 . 1 95 95 THR HB H 1 4.246 0.006 . . . . . . A 95 THR HB . 30985 1 1201 . 1 . 1 95 95 THR HG21 H 1 1.147 0.008 . . . . . . A 95 THR HG21 . 30985 1 1202 . 1 . 1 95 95 THR HG22 H 1 1.147 0.008 . . . . . . A 95 THR HG22 . 30985 1 1203 . 1 . 1 95 95 THR HG23 H 1 1.147 0.008 . . . . . . A 95 THR HG23 . 30985 1 1204 . 1 . 1 95 95 THR C C 13 175.441 0.000 . . . . . . A 95 THR C . 30985 1 1205 . 1 . 1 95 95 THR CA C 13 66.237 0.080 . . . . . . A 95 THR CA . 30985 1 1206 . 1 . 1 95 95 THR CB C 13 67.925 0.039 . . . . . . A 95 THR CB . 30985 1 1207 . 1 . 1 95 95 THR CG2 C 13 24.000 0.115 . . . . . . A 95 THR CG2 . 30985 1 1208 . 1 . 1 95 95 THR N N 15 117.459 0.093 . . . . . . A 95 THR N . 30985 1 1209 . 1 . 1 96 96 GLY H H 1 8.043 0.010 . . . . . . A 96 GLY H . 30985 1 1210 . 1 . 1 96 96 GLY HA2 H 1 4.009 0.006 . . . . . . A 96 GLY HA2 . 30985 1 1211 . 1 . 1 96 96 GLY HA3 H 1 3.896 0.004 . . . . . . A 96 GLY HA3 . 30985 1 1212 . 1 . 1 96 96 GLY C C 13 176.784 0.000 . . . . . . A 96 GLY C . 30985 1 1213 . 1 . 1 96 96 GLY CA C 13 47.562 0.048 . . . . . . A 96 GLY CA . 30985 1 1214 . 1 . 1 96 96 GLY N N 15 108.078 0.038 . . . . . . A 96 GLY N . 30985 1 1215 . 1 . 1 97 97 GLN H H 1 8.113 0.007 . . . . . . A 97 GLN H . 30985 1 1216 . 1 . 1 97 97 GLN HA H 1 4.014 0.010 . . . . . . A 97 GLN HA . 30985 1 1217 . 1 . 1 97 97 GLN HB2 H 1 2.130 0.012 . . . . . . A 97 GLN HB2 . 30985 1 1218 . 1 . 1 97 97 GLN HB3 H 1 2.057 0.011 . . . . . . A 97 GLN HB3 . 30985 1 1219 . 1 . 1 97 97 GLN HG2 H 1 2.459 0.012 . . . . . . A 97 GLN HG2 . 30985 1 1220 . 1 . 1 97 97 GLN HG3 H 1 2.459 0.012 . . . . . . A 97 GLN HG3 . 30985 1 1221 . 1 . 1 97 97 GLN HE21 H 1 7.478 0.002 . . . . . . A 97 GLN HE21 . 30985 1 1222 . 1 . 1 97 97 GLN HE22 H 1 6.870 0.003 . . . . . . A 97 GLN HE22 . 30985 1 1223 . 1 . 1 97 97 GLN C C 13 178.012 0.000 . . . . . . A 97 GLN C . 30985 1 1224 . 1 . 1 97 97 GLN CA C 13 58.775 0.171 . . . . . . A 97 GLN CA . 30985 1 1225 . 1 . 1 97 97 GLN CB C 13 28.154 0.012 . . . . . . A 97 GLN CB . 30985 1 1226 . 1 . 1 97 97 GLN CG C 13 33.850 0.000 . . . . . . A 97 GLN CG . 30985 1 1227 . 1 . 1 97 97 GLN N N 15 120.100 0.058 . . . . . . A 97 GLN N . 30985 1 1228 . 1 . 1 97 97 GLN NE2 N 15 111.398 0.036 . . . . . . A 97 GLN NE2 . 30985 1 1229 . 1 . 1 98 98 PHE H H 1 7.705 0.005 . . . . . . A 98 PHE H . 30985 1 1230 . 1 . 1 98 98 PHE HA H 1 4.428 0.009 . . . . . . A 98 PHE HA . 30985 1 1231 . 1 . 1 98 98 PHE HB2 H 1 3.264 0.008 . . . . . . A 98 PHE HB2 . 30985 1 1232 . 1 . 1 98 98 PHE HB3 H 1 3.040 0.013 . . . . . . A 98 PHE HB3 . 30985 1 1233 . 1 . 1 98 98 PHE HD1 H 1 6.891 0.011 . . . . . . A 98 PHE HD1 . 30985 1 1234 . 1 . 1 98 98 PHE HD2 H 1 6.891 0.011 . . . . . . A 98 PHE HD2 . 30985 1 1235 . 1 . 1 98 98 PHE HE1 H 1 7.183 0.005 . . . . . . A 98 PHE HE1 . 30985 1 1236 . 1 . 1 98 98 PHE HE2 H 1 7.183 0.005 . . . . . . A 98 PHE HE2 . 30985 1 1237 . 1 . 1 98 98 PHE HZ H 1 7.017 0.018 . . . . . . A 98 PHE HZ . 30985 1 1238 . 1 . 1 98 98 PHE C C 13 176.468 0.000 . . . . . . A 98 PHE C . 30985 1 1239 . 1 . 1 98 98 PHE CA C 13 60.903 0.126 . . . . . . A 98 PHE CA . 30985 1 1240 . 1 . 1 98 98 PHE CB C 13 38.686 0.142 . . . . . . A 98 PHE CB . 30985 1 1241 . 1 . 1 98 98 PHE CD1 C 13 132.582 0.013 . . . . . . A 98 PHE CD1 . 30985 1 1242 . 1 . 1 98 98 PHE CD2 C 13 132.582 0.013 . . . . . . A 98 PHE CD2 . 30985 1 1243 . 1 . 1 98 98 PHE CE1 C 13 130.083 0.034 . . . . . . A 98 PHE CE1 . 30985 1 1244 . 1 . 1 98 98 PHE CE2 C 13 130.083 0.034 . . . . . . A 98 PHE CE2 . 30985 1 1245 . 1 . 1 98 98 PHE CZ C 13 130.081 0.041 . . . . . . A 98 PHE CZ . 30985 1 1246 . 1 . 1 98 98 PHE N N 15 121.584 0.049 . . . . . . A 98 PHE N . 30985 1 1247 . 1 . 1 99 99 TYR H H 1 7.983 0.004 . . . . . . A 99 TYR H . 30985 1 1248 . 1 . 1 99 99 TYR HA H 1 4.016 0.005 . . . . . . A 99 TYR HA . 30985 1 1249 . 1 . 1 99 99 TYR HB2 H 1 3.280 0.013 . . . . . . A 99 TYR HB2 . 30985 1 1250 . 1 . 1 99 99 TYR HB3 H 1 3.001 0.010 . . . . . . A 99 TYR HB3 . 30985 1 1251 . 1 . 1 99 99 TYR HD1 H 1 6.922 0.006 . . . . . . A 99 TYR HD1 . 30985 1 1252 . 1 . 1 99 99 TYR HD2 H 1 6.922 0.006 . . . . . . A 99 TYR HD2 . 30985 1 1253 . 1 . 1 99 99 TYR HE1 H 1 6.752 0.007 . . . . . . A 99 TYR HE1 . 30985 1 1254 . 1 . 1 99 99 TYR HE2 H 1 6.752 0.007 . . . . . . A 99 TYR HE2 . 30985 1 1255 . 1 . 1 99 99 TYR C C 13 178.437 0.000 . . . . . . A 99 TYR C . 30985 1 1256 . 1 . 1 99 99 TYR CA C 13 59.438 0.089 . . . . . . A 99 TYR CA . 30985 1 1257 . 1 . 1 99 99 TYR CB C 13 36.674 0.027 . . . . . . A 99 TYR CB . 30985 1 1258 . 1 . 1 99 99 TYR CD1 C 13 131.831 0.000 . . . . . . A 99 TYR CD1 . 30985 1 1259 . 1 . 1 99 99 TYR CD2 C 13 131.831 0.000 . . . . . . A 99 TYR CD2 . 30985 1 1260 . 1 . 1 99 99 TYR CE1 C 13 118.110 0.020 . . . . . . A 99 TYR CE1 . 30985 1 1261 . 1 . 1 99 99 TYR CE2 C 13 118.110 0.020 . . . . . . A 99 TYR CE2 . 30985 1 1262 . 1 . 1 99 99 TYR N N 15 116.999 0.030 . . . . . . A 99 TYR N . 30985 1 1263 . 1 . 1 100 100 LYS H H 1 7.968 0.008 . . . . . . A 100 LYS H . 30985 1 1264 . 1 . 1 100 100 LYS HA H 1 3.759 0.008 . . . . . . A 100 LYS HA . 30985 1 1265 . 1 . 1 100 100 LYS HB2 H 1 1.879 0.007 . . . . . . A 100 LYS HB2 . 30985 1 1266 . 1 . 1 100 100 LYS HB3 H 1 1.798 0.011 . . . . . . A 100 LYS HB3 . 30985 1 1267 . 1 . 1 100 100 LYS HG2 H 1 1.533 0.001 . . . . . . A 100 LYS HG2 . 30985 1 1268 . 1 . 1 100 100 LYS HG3 H 1 1.323 0.013 . . . . . . A 100 LYS HG3 . 30985 1 1269 . 1 . 1 100 100 LYS HD2 H 1 1.636 0.010 . . . . . . A 100 LYS HD2 . 30985 1 1270 . 1 . 1 100 100 LYS HD3 H 1 1.636 0.010 . . . . . . A 100 LYS HD3 . 30985 1 1271 . 1 . 1 100 100 LYS HE2 H 1 2.947 0.020 . . . . . . A 100 LYS HE2 . 30985 1 1272 . 1 . 1 100 100 LYS HE3 H 1 2.947 0.020 . . . . . . A 100 LYS HE3 . 30985 1 1273 . 1 . 1 100 100 LYS C C 13 178.336 0.000 . . . . . . A 100 LYS C . 30985 1 1274 . 1 . 1 100 100 LYS CA C 13 59.810 0.089 . . . . . . A 100 LYS CA . 30985 1 1275 . 1 . 1 100 100 LYS CB C 13 32.917 0.006 . . . . . . A 100 LYS CB . 30985 1 1276 . 1 . 1 100 100 LYS CG C 13 24.660 0.000 . . . . . . A 100 LYS CG . 30985 1 1277 . 1 . 1 100 100 LYS CD C 13 29.530 0.000 . . . . . . A 100 LYS CD . 30985 1 1278 . 1 . 1 100 100 LYS CE C 13 42.240 0.000 . . . . . . A 100 LYS CE . 30985 1 1279 . 1 . 1 100 100 LYS N N 15 117.995 0.062 . . . . . . A 100 LYS N . 30985 1 1280 . 1 . 1 101 101 LYS H H 1 7.786 0.006 . . . . . . A 101 LYS H . 30985 1 1281 . 1 . 1 101 101 LYS HA H 1 3.922 0.011 . . . . . . A 101 LYS HA . 30985 1 1282 . 1 . 1 101 101 LYS HB2 H 1 1.956 0.013 . . . . . . A 101 LYS HB2 . 30985 1 1283 . 1 . 1 101 101 LYS HB3 H 1 1.845 0.015 . . . . . . A 101 LYS HB3 . 30985 1 1284 . 1 . 1 101 101 LYS HG2 H 1 1.407 0.010 . . . . . . A 101 LYS HG2 . 30985 1 1285 . 1 . 1 101 101 LYS HG3 H 1 1.407 0.010 . . . . . . A 101 LYS HG3 . 30985 1 1286 . 1 . 1 101 101 LYS HD2 H 1 1.647 0.013 . . . . . . A 101 LYS HD2 . 30985 1 1287 . 1 . 1 101 101 LYS HD3 H 1 1.647 0.013 . . . . . . A 101 LYS HD3 . 30985 1 1288 . 1 . 1 101 101 LYS HE2 H 1 2.950 0.007 . . . . . . A 101 LYS HE2 . 30985 1 1289 . 1 . 1 101 101 LYS HE3 H 1 2.950 0.007 . . . . . . A 101 LYS HE3 . 30985 1 1290 . 1 . 1 101 101 LYS C C 13 179.148 0.000 . . . . . . A 101 LYS C . 30985 1 1291 . 1 . 1 101 101 LYS CA C 13 59.462 0.068 . . . . . . A 101 LYS CA . 30985 1 1292 . 1 . 1 101 101 LYS CB C 13 32.600 0.019 . . . . . . A 101 LYS CB . 30985 1 1293 . 1 . 1 101 101 LYS CG C 13 25.530 0.000 . . . . . . A 101 LYS CG . 30985 1 1294 . 1 . 1 101 101 LYS CD C 13 29.940 0.000 . . . . . . A 101 LYS CD . 30985 1 1295 . 1 . 1 101 101 LYS CE C 13 42.241 0.000 . . . . . . A 101 LYS CE . 30985 1 1296 . 1 . 1 101 101 LYS N N 15 119.982 0.045 . . . . . . A 101 LYS N . 30985 1 1297 . 1 . 1 102 102 VAL H H 1 7.826 0.007 . . . . . . A 102 VAL H . 30985 1 1298 . 1 . 1 102 102 VAL HA H 1 3.365 0.011 . . . . . . A 102 VAL HA . 30985 1 1299 . 1 . 1 102 102 VAL HB H 1 1.442 0.009 . . . . . . A 102 VAL HB . 30985 1 1300 . 1 . 1 102 102 VAL HG11 H 1 0.672 0.008 . . . . . . A 102 VAL HG11 . 30985 1 1301 . 1 . 1 102 102 VAL HG12 H 1 0.672 0.008 . . . . . . A 102 VAL HG12 . 30985 1 1302 . 1 . 1 102 102 VAL HG13 H 1 0.672 0.008 . . . . . . A 102 VAL HG13 . 30985 1 1303 . 1 . 1 102 102 VAL HG21 H 1 0.424 0.008 . . . . . . A 102 VAL HG21 . 30985 1 1304 . 1 . 1 102 102 VAL HG22 H 1 0.424 0.008 . . . . . . A 102 VAL HG22 . 30985 1 1305 . 1 . 1 102 102 VAL HG23 H 1 0.424 0.008 . . . . . . A 102 VAL HG23 . 30985 1 1306 . 1 . 1 102 102 VAL C C 13 176.796 0.000 . . . . . . A 102 VAL C . 30985 1 1307 . 1 . 1 102 102 VAL CA C 13 65.769 0.083 . . . . . . A 102 VAL CA . 30985 1 1308 . 1 . 1 102 102 VAL CB C 13 31.497 0.173 . . . . . . A 102 VAL CB . 30985 1 1309 . 1 . 1 102 102 VAL CG1 C 13 22.583 0.118 . . . . . . A 102 VAL CG1 . 30985 1 1310 . 1 . 1 102 102 VAL CG2 C 13 24.290 0.055 . . . . . . A 102 VAL CG2 . 30985 1 1311 . 1 . 1 102 102 VAL N N 15 119.079 0.041 . . . . . . A 102 VAL N . 30985 1 1312 . 1 . 1 103 103 ALA H H 1 8.030 0.009 . . . . . . A 103 ALA H . 30985 1 1313 . 1 . 1 103 103 ALA HA H 1 4.009 0.011 . . . . . . A 103 ALA HA . 30985 1 1314 . 1 . 1 103 103 ALA HB1 H 1 1.292 0.008 . . . . . . A 103 ALA HB1 . 30985 1 1315 . 1 . 1 103 103 ALA HB2 H 1 1.292 0.008 . . . . . . A 103 ALA HB2 . 30985 1 1316 . 1 . 1 103 103 ALA HB3 H 1 1.292 0.008 . . . . . . A 103 ALA HB3 . 30985 1 1317 . 1 . 1 103 103 ALA C C 13 177.569 0.000 . . . . . . A 103 ALA C . 30985 1 1318 . 1 . 1 103 103 ALA CA C 13 54.089 0.066 . . . . . . A 103 ALA CA . 30985 1 1319 . 1 . 1 103 103 ALA CB C 13 18.992 0.123 . . . . . . A 103 ALA CB . 30985 1 1320 . 1 . 1 103 103 ALA N N 15 116.900 0.063 . . . . . . A 103 ALA N . 30985 1 1321 . 1 . 1 104 104 ALA H H 1 7.044 0.006 . . . . . . A 104 ALA H . 30985 1 1322 . 1 . 1 104 104 ALA HA H 1 4.311 0.006 . . . . . . A 104 ALA HA . 30985 1 1323 . 1 . 1 104 104 ALA HB1 H 1 1.427 0.004 . . . . . . A 104 ALA HB1 . 30985 1 1324 . 1 . 1 104 104 ALA HB2 H 1 1.427 0.004 . . . . . . A 104 ALA HB2 . 30985 1 1325 . 1 . 1 104 104 ALA HB3 H 1 1.427 0.004 . . . . . . A 104 ALA HB3 . 30985 1 1326 . 1 . 1 104 104 ALA C C 13 177.849 0.000 . . . . . . A 104 ALA C . 30985 1 1327 . 1 . 1 104 104 ALA CA C 13 51.718 0.075 . . . . . . A 104 ALA CA . 30985 1 1328 . 1 . 1 104 104 ALA CB C 13 19.310 0.124 . . . . . . A 104 ALA CB . 30985 1 1329 . 1 . 1 104 104 ALA N N 15 117.183 0.033 . . . . . . A 104 ALA N . 30985 1 1330 . 1 . 1 105 105 ILE H H 1 7.382 0.008 . . . . . . A 105 ILE H . 30985 1 1331 . 1 . 1 105 105 ILE HA H 1 3.651 0.011 . . . . . . A 105 ILE HA . 30985 1 1332 . 1 . 1 105 105 ILE HB H 1 1.868 0.011 . . . . . . A 105 ILE HB . 30985 1 1333 . 1 . 1 105 105 ILE HG12 H 1 1.977 0.009 . . . . . . A 105 ILE HG12 . 30985 1 1334 . 1 . 1 105 105 ILE HG13 H 1 1.028 0.007 . . . . . . A 105 ILE HG13 . 30985 1 1335 . 1 . 1 105 105 ILE HG21 H 1 0.847 0.005 . . . . . . A 105 ILE HG21 . 30985 1 1336 . 1 . 1 105 105 ILE HG22 H 1 0.847 0.005 . . . . . . A 105 ILE HG22 . 30985 1 1337 . 1 . 1 105 105 ILE HG23 H 1 0.847 0.005 . . . . . . A 105 ILE HG23 . 30985 1 1338 . 1 . 1 105 105 ILE HD11 H 1 0.891 0.009 . . . . . . A 105 ILE HD11 . 30985 1 1339 . 1 . 1 105 105 ILE HD12 H 1 0.891 0.009 . . . . . . A 105 ILE HD12 . 30985 1 1340 . 1 . 1 105 105 ILE HD13 H 1 0.891 0.009 . . . . . . A 105 ILE HD13 . 30985 1 1341 . 1 . 1 105 105 ILE C C 13 175.224 0.000 . . . . . . A 105 ILE C . 30985 1 1342 . 1 . 1 105 105 ILE CA C 13 64.155 0.056 . . . . . . A 105 ILE CA . 30985 1 1343 . 1 . 1 105 105 ILE CB C 13 38.138 0.123 . . . . . . A 105 ILE CB . 30985 1 1344 . 1 . 1 105 105 ILE CG1 C 13 28.806 0.102 . . . . . . A 105 ILE CG1 . 30985 1 1345 . 1 . 1 105 105 ILE CG2 C 13 18.258 0.004 . . . . . . A 105 ILE CG2 . 30985 1 1346 . 1 . 1 105 105 ILE CD1 C 13 15.098 0.017 . . . . . . A 105 ILE CD1 . 30985 1 1347 . 1 . 1 105 105 ILE N N 15 122.126 0.032 . . . . . . A 105 ILE N . 30985 1 1348 . 1 . 1 106 106 ASP H H 1 8.253 0.007 . . . . . . A 106 ASP H . 30985 1 1349 . 1 . 1 106 106 ASP HA H 1 4.697 0.004 . . . . . . A 106 ASP HA . 30985 1 1350 . 1 . 1 106 106 ASP HB2 H 1 2.683 0.007 . . . . . . A 106 ASP HB2 . 30985 1 1351 . 1 . 1 106 106 ASP HB3 H 1 2.532 0.006 . . . . . . A 106 ASP HB3 . 30985 1 1352 . 1 . 1 106 106 ASP C C 13 175.363 0.000 . . . . . . A 106 ASP C . 30985 1 1353 . 1 . 1 106 106 ASP CA C 13 53.394 0.076 . . . . . . A 106 ASP CA . 30985 1 1354 . 1 . 1 106 106 ASP CB C 13 41.887 0.023 . . . . . . A 106 ASP CB . 30985 1 1355 . 1 . 1 106 106 ASP N N 15 125.809 0.030 . . . . . . A 106 ASP N . 30985 1 1356 . 1 . 1 107 107 LEU H H 1 8.171 0.023 . . . . . . A 107 LEU H . 30985 1 1357 . 1 . 1 107 107 LEU HA H 1 4.313 0.009 . . . . . . A 107 LEU HA . 30985 1 1358 . 1 . 1 107 107 LEU HB2 H 1 1.635 0.016 . . . . . . A 107 LEU HB2 . 30985 1 1359 . 1 . 1 107 107 LEU HB3 H 1 1.513 0.014 . . . . . . A 107 LEU HB3 . 30985 1 1360 . 1 . 1 107 107 LEU HG H 1 1.569 0.007 . . . . . . A 107 LEU HG . 30985 1 1361 . 1 . 1 107 107 LEU HD11 H 1 0.870 0.011 . . . . . . A 107 LEU HD11 . 30985 1 1362 . 1 . 1 107 107 LEU HD12 H 1 0.870 0.011 . . . . . . A 107 LEU HD12 . 30985 1 1363 . 1 . 1 107 107 LEU HD13 H 1 0.870 0.011 . . . . . . A 107 LEU HD13 . 30985 1 1364 . 1 . 1 107 107 LEU HD21 H 1 0.806 0.004 . . . . . . A 107 LEU HD21 . 30985 1 1365 . 1 . 1 107 107 LEU HD22 H 1 0.806 0.004 . . . . . . A 107 LEU HD22 . 30985 1 1366 . 1 . 1 107 107 LEU HD23 H 1 0.806 0.004 . . . . . . A 107 LEU HD23 . 30985 1 1367 . 1 . 1 107 107 LEU C C 13 176.282 0.000 . . . . . . A 107 LEU C . 30985 1 1368 . 1 . 1 107 107 LEU CA C 13 55.036 0.100 . . . . . . A 107 LEU CA . 30985 1 1369 . 1 . 1 107 107 LEU CB C 13 42.640 0.069 . . . . . . A 107 LEU CB . 30985 1 1370 . 1 . 1 107 107 LEU CG C 13 27.150 0.140 . . . . . . A 107 LEU CG . 30985 1 1371 . 1 . 1 107 107 LEU CD1 C 13 24.900 0.000 . . . . . . A 107 LEU CD1 . 30985 1 1372 . 1 . 1 107 107 LEU CD2 C 13 23.980 0.000 . . . . . . A 107 LEU CD2 . 30985 1 1373 . 1 . 1 107 107 LEU N N 15 124.528 0.055 . . . . . . A 107 LEU N . 30985 1 1374 . 1 . 1 108 108 GLN H H 1 7.971 0.004 . . . . . . A 108 GLN H . 30985 1 1375 . 1 . 1 108 108 GLN HA H 1 4.106 0.000 . . . . . . A 108 GLN HA . 30985 1 1376 . 1 . 1 108 108 GLN HB2 H 1 2.129 0.000 . . . . . . A 108 GLN HB2 . 30985 1 1377 . 1 . 1 108 108 GLN HB3 H 1 1.930 0.000 . . . . . . A 108 GLN HB3 . 30985 1 1378 . 1 . 1 108 108 GLN HG2 H 1 2.273 0.000 . . . . . . A 108 GLN HG2 . 30985 1 1379 . 1 . 1 108 108 GLN HG3 H 1 2.273 0.000 . . . . . . A 108 GLN HG3 . 30985 1 1380 . 1 . 1 108 108 GLN HE21 H 1 7.668 0.003 . . . . . . A 108 GLN HE21 . 30985 1 1381 . 1 . 1 108 108 GLN HE22 H 1 6.766 0.002 . . . . . . A 108 GLN HE22 . 30985 1 1382 . 1 . 1 108 108 GLN CA C 13 57.485 0.000 . . . . . . A 108 GLN CA . 30985 1 1383 . 1 . 1 108 108 GLN CB C 13 30.473 0.000 . . . . . . A 108 GLN CB . 30985 1 1384 . 1 . 1 108 108 GLN CG C 13 34.364 0.021 . . . . . . A 108 GLN CG . 30985 1 1385 . 1 . 1 108 108 GLN N N 15 126.431 0.041 . . . . . . A 108 GLN N . 30985 1 1386 . 1 . 1 108 108 GLN NE2 N 15 112.823 0.123 . . . . . . A 108 GLN NE2 . 30985 1 stop_ save_