data_25510 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25510 _Entry.Title ; NMR Solution structure of AIM2 PYD from Mus musculus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-01 _Entry.Accession_date 2015-03-01 _Entry.Last_release_date 2015-04-21 _Entry.Original_release_date 2015-04-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Xianhui Hou . . . . 25510 2 Xiaogang Niu . . . . 25510 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 Other 'not applicable' . 25510 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AIM2 . 25510 PYD . 25510 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25510 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 378 25510 '15N chemical shifts' 94 25510 '1H chemical shifts' 589 25510 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 3 . . 2016-08-29 2015-03-01 update BMRB 'update entry citation' 25510 2 . . 2015-05-26 2015-03-01 update BMRB 'update entry citation' 25510 1 . . 2015-04-21 2015-03-01 original BMRB 'original release' 25510 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N00 'BMRB Entry Tracking System' 25510 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 25510 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25888795 _Citation.Full_citation . _Citation.Title ; The NMR solution structure of AIM2 PYD domain from Mus musculus reveals a distinct 2-3 helix conformation from its human homologues ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and Biophysical Research Communications' _Citation.Journal_volume 461 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 396 _Citation.Page_last 400 _Citation.Year 2015 _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 Xianhui Hou . . . . 25510 1 2 Xiaogang Niu . . . . 25510 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25510 _Assembly.ID 1 _Assembly.Name 'AIM2 PYD from Mus musculus' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'AIM2 PYD' 1 $entity A . yes native no no . . . 25510 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25510 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MESEYREMLLLTGLDHITEE ELKRFKYFALTEFQIARSTL DVADRTELADHLIQSAGAAS AVTKAINIFQKLNYMHIANA LEEKKKEAERKLMTN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10963.646 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25510 1 2 2 GLU . 25510 1 3 3 SER . 25510 1 4 4 GLU . 25510 1 5 5 TYR . 25510 1 6 6 ARG . 25510 1 7 7 GLU . 25510 1 8 8 MET . 25510 1 9 9 LEU . 25510 1 10 10 LEU . 25510 1 11 11 LEU . 25510 1 12 12 THR . 25510 1 13 13 GLY . 25510 1 14 14 LEU . 25510 1 15 15 ASP . 25510 1 16 16 HIS . 25510 1 17 17 ILE . 25510 1 18 18 THR . 25510 1 19 19 GLU . 25510 1 20 20 GLU . 25510 1 21 21 GLU . 25510 1 22 22 LEU . 25510 1 23 23 LYS . 25510 1 24 24 ARG . 25510 1 25 25 PHE . 25510 1 26 26 LYS . 25510 1 27 27 TYR . 25510 1 28 28 PHE . 25510 1 29 29 ALA . 25510 1 30 30 LEU . 25510 1 31 31 THR . 25510 1 32 32 GLU . 25510 1 33 33 PHE . 25510 1 34 34 GLN . 25510 1 35 35 ILE . 25510 1 36 36 ALA . 25510 1 37 37 ARG . 25510 1 38 38 SER . 25510 1 39 39 THR . 25510 1 40 40 LEU . 25510 1 41 41 ASP . 25510 1 42 42 VAL . 25510 1 43 43 ALA . 25510 1 44 44 ASP . 25510 1 45 45 ARG . 25510 1 46 46 THR . 25510 1 47 47 GLU . 25510 1 48 48 LEU . 25510 1 49 49 ALA . 25510 1 50 50 ASP . 25510 1 51 51 HIS . 25510 1 52 52 LEU . 25510 1 53 53 ILE . 25510 1 54 54 GLN . 25510 1 55 55 SER . 25510 1 56 56 ALA . 25510 1 57 57 GLY . 25510 1 58 58 ALA . 25510 1 59 59 ALA . 25510 1 60 60 SER . 25510 1 61 61 ALA . 25510 1 62 62 VAL . 25510 1 63 63 THR . 25510 1 64 64 LYS . 25510 1 65 65 ALA . 25510 1 66 66 ILE . 25510 1 67 67 ASN . 25510 1 68 68 ILE . 25510 1 69 69 PHE . 25510 1 70 70 GLN . 25510 1 71 71 LYS . 25510 1 72 72 LEU . 25510 1 73 73 ASN . 25510 1 74 74 TYR . 25510 1 75 75 MET . 25510 1 76 76 HIS . 25510 1 77 77 ILE . 25510 1 78 78 ALA . 25510 1 79 79 ASN . 25510 1 80 80 ALA . 25510 1 81 81 LEU . 25510 1 82 82 GLU . 25510 1 83 83 GLU . 25510 1 84 84 LYS . 25510 1 85 85 LYS . 25510 1 86 86 LYS . 25510 1 87 87 GLU . 25510 1 88 88 ALA . 25510 1 89 89 GLU . 25510 1 90 90 ARG . 25510 1 91 91 LYS . 25510 1 92 92 LEU . 25510 1 93 93 MET . 25510 1 94 94 THR . 25510 1 95 95 ASN . 25510 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25510 1 . GLU 2 2 25510 1 . SER 3 3 25510 1 . GLU 4 4 25510 1 . TYR 5 5 25510 1 . ARG 6 6 25510 1 . GLU 7 7 25510 1 . MET 8 8 25510 1 . LEU 9 9 25510 1 . LEU 10 10 25510 1 . LEU 11 11 25510 1 . THR 12 12 25510 1 . GLY 13 13 25510 1 . LEU 14 14 25510 1 . ASP 15 15 25510 1 . HIS 16 16 25510 1 . ILE 17 17 25510 1 . THR 18 18 25510 1 . GLU 19 19 25510 1 . GLU 20 20 25510 1 . GLU 21 21 25510 1 . LEU 22 22 25510 1 . LYS 23 23 25510 1 . ARG 24 24 25510 1 . PHE 25 25 25510 1 . LYS 26 26 25510 1 . TYR 27 27 25510 1 . PHE 28 28 25510 1 . ALA 29 29 25510 1 . LEU 30 30 25510 1 . THR 31 31 25510 1 . GLU 32 32 25510 1 . PHE 33 33 25510 1 . GLN 34 34 25510 1 . ILE 35 35 25510 1 . ALA 36 36 25510 1 . ARG 37 37 25510 1 . SER 38 38 25510 1 . THR 39 39 25510 1 . LEU 40 40 25510 1 . ASP 41 41 25510 1 . VAL 42 42 25510 1 . ALA 43 43 25510 1 . ASP 44 44 25510 1 . ARG 45 45 25510 1 . THR 46 46 25510 1 . GLU 47 47 25510 1 . LEU 48 48 25510 1 . ALA 49 49 25510 1 . ASP 50 50 25510 1 . HIS 51 51 25510 1 . LEU 52 52 25510 1 . ILE 53 53 25510 1 . GLN 54 54 25510 1 . SER 55 55 25510 1 . ALA 56 56 25510 1 . GLY 57 57 25510 1 . ALA 58 58 25510 1 . ALA 59 59 25510 1 . SER 60 60 25510 1 . ALA 61 61 25510 1 . VAL 62 62 25510 1 . THR 63 63 25510 1 . LYS 64 64 25510 1 . ALA 65 65 25510 1 . ILE 66 66 25510 1 . ASN 67 67 25510 1 . ILE 68 68 25510 1 . PHE 69 69 25510 1 . GLN 70 70 25510 1 . LYS 71 71 25510 1 . LEU 72 72 25510 1 . ASN 73 73 25510 1 . TYR 74 74 25510 1 . MET 75 75 25510 1 . HIS 76 76 25510 1 . ILE 77 77 25510 1 . ALA 78 78 25510 1 . ASN 79 79 25510 1 . ALA 80 80 25510 1 . LEU 81 81 25510 1 . GLU 82 82 25510 1 . GLU 83 83 25510 1 . LYS 84 84 25510 1 . LYS 85 85 25510 1 . LYS 86 86 25510 1 . GLU 87 87 25510 1 . ALA 88 88 25510 1 . GLU 89 89 25510 1 . ARG 90 90 25510 1 . LYS 91 91 25510 1 . LEU 92 92 25510 1 . MET 93 93 25510 1 . THR 94 94 25510 1 . ASN 95 95 25510 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 25510 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 25510 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 25510 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . PET28a . . . 25510 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25510 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 25510 1 2 NaAc/HAc 'natural abundance' . . . . . . 20 . . mM . . . . 25510 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25510 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25510 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 25510 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 25510 1 pH 4.0 . pH 25510 1 pressure 1 . atm 25510 1 temperature 298 . K 25510 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25510 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25510 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25510 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25510 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25510 _NMR_spectrometer_list.ID 1 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 spectrometer_1 Bruker Avance . 700 . . . 25510 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 25510 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25510 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25510 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25510 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25510 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25510 1 6 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25510 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25510 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25510 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25510 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 0 internal indirect 0.251449530 . . . . . 25510 1 H 1 DSS 'methyl carbon' . . . . ppm 0 internal direct 1 . . . . . 25510 1 N 15 DSS 'methyl carbon' . . . . ppm 0 internal indirect 0.101329118 . . . . . 25510 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25510 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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' . . . 25510 1 2 '3D CBCA(CO)NH' . . . 25510 1 3 '3D HNCACB' . . . 25510 1 4 '3D HNCO' . . . 25510 1 5 '3D H(CCO)NH' . . . 25510 1 7 '3D C(CO)NH' . . . 25510 1 8 '3D 1H-15N NOESY' . . . 25510 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.327 0.018 . 1 . . . A 1 MET HA . 25510 1 2 . 1 1 1 1 MET HB3 H 1 2.106 0.017 . 2 . . . A 1 MET HB3 . 25510 1 3 . 1 1 1 1 MET HG2 H 1 2.544 0.017 . 2 . . . A 1 MET HG2 . 25510 1 4 . 1 1 1 1 MET HG3 H 1 2.597 0.033 . 2 . . . A 1 MET HG3 . 25510 1 5 . 1 1 1 1 MET HE1 H 1 3.069 0.021 . 1 . . . A 1 MET HE1 . 25510 1 6 . 1 1 1 1 MET HE2 H 1 3.069 0.021 . 1 . . . A 1 MET HE2 . 25510 1 7 . 1 1 1 1 MET HE3 H 1 3.069 0.021 . 1 . . . A 1 MET HE3 . 25510 1 8 . 1 1 1 1 MET H H 1 8.388 0.005 . 1 . . . A 1 MET H1 . 25510 1 9 . 1 1 1 1 MET C C 13 174.443 0.000 . 1 . . . A 1 MET C . 25510 1 10 . 1 1 1 1 MET CA C 13 57.539 0.084 . 1 . . . A 1 MET CA . 25510 1 11 . 1 1 1 1 MET CB C 13 32.299 0.097 . 1 . . . A 1 MET CB . 25510 1 12 . 1 1 1 1 MET CG C 13 32.200 0.087 . 1 . . . A 1 MET CG . 25510 1 13 . 1 1 1 1 MET N N 15 120.661 0.082 . 1 . . . A 1 MET N . 25510 1 14 . 1 1 2 2 GLU H H 1 8.426 0.009 . 1 . . . A 2 GLU H . 25510 1 15 . 1 1 2 2 GLU HA H 1 4.020 0.016 . 1 . . . A 2 GLU HA . 25510 1 16 . 1 1 2 2 GLU HB2 H 1 2.255 0.013 . 1 . . . A 2 GLU HB2 . 25510 1 17 . 1 1 2 2 GLU HB3 H 1 2.129 0.021 . 1 . . . A 2 GLU HB3 . 25510 1 18 . 1 1 2 2 GLU HG2 H 1 2.436 0.019 . 2 . . . A 2 GLU HG2 . 25510 1 19 . 1 1 2 2 GLU C C 13 178.535 0.000 . 1 . . . A 2 GLU C . 25510 1 20 . 1 1 2 2 GLU CA C 13 60.749 0.077 . 1 . . . A 2 GLU CA . 25510 1 21 . 1 1 2 2 GLU CB C 13 29.107 0.113 . 1 . . . A 2 GLU CB . 25510 1 22 . 1 1 2 2 GLU CG C 13 36.452 0.060 . 1 . . . A 2 GLU CG . 25510 1 23 . 1 1 2 2 GLU N N 15 119.768 0.031 . 1 . . . A 2 GLU N . 25510 1 24 . 1 1 3 3 SER H H 1 8.151 0.006 . 1 . . . A 3 SER H . 25510 1 25 . 1 1 3 3 SER HA H 1 4.235 0.031 . 1 . . . A 3 SER HA . 25510 1 26 . 1 1 3 3 SER HB2 H 1 3.706 0.000 . 2 . . . A 3 SER HB2 . 25510 1 27 . 1 1 3 3 SER HB3 H 1 3.976 0.012 . 2 . . . A 3 SER HB3 . 25510 1 28 . 1 1 3 3 SER C C 13 176.578 0.000 . 1 . . . A 3 SER C . 25510 1 29 . 1 1 3 3 SER CA C 13 61.448 0.124 . 1 . . . A 3 SER CA . 25510 1 30 . 1 1 3 3 SER CB C 13 62.746 0.060 . 1 . . . A 3 SER CB . 25510 1 31 . 1 1 3 3 SER N N 15 113.553 0.071 . 1 . . . A 3 SER N . 25510 1 32 . 1 1 4 4 GLU H H 1 8.051 0.026 . 1 . . . A 4 GLU H . 25510 1 33 . 1 1 4 4 GLU HA H 1 4.077 0.009 . 1 . . . A 4 GLU HA . 25510 1 34 . 1 1 4 4 GLU HB2 H 1 2.019 0.003 . 2 . . . A 4 GLU HB2 . 25510 1 35 . 1 1 4 4 GLU HB3 H 1 1.833 0.015 . 2 . . . A 4 GLU HB3 . 25510 1 36 . 1 1 4 4 GLU HG2 H 1 2.413 0.030 . 2 . . . A 4 GLU HG2 . 25510 1 37 . 1 1 4 4 GLU CA C 13 59.416 0.043 . 1 . . . A 4 GLU CA . 25510 1 38 . 1 1 4 4 GLU CB C 13 28.261 0.106 . 1 . . . A 4 GLU CB . 25510 1 39 . 1 1 4 4 GLU CG C 13 34.818 0.097 . 1 . . . A 4 GLU CG . 25510 1 40 . 1 1 4 4 GLU N N 15 122.599 0.065 . 1 . . . A 4 GLU N . 25510 1 41 . 1 1 5 5 TYR H H 1 8.339 0.019 . 1 . . . A 5 TYR H . 25510 1 42 . 1 1 5 5 TYR HA H 1 4.472 0.022 . 1 . . . A 5 TYR HA . 25510 1 43 . 1 1 5 5 TYR HB2 H 1 3.000 0.013 . 1 . . . A 5 TYR HB2 . 25510 1 44 . 1 1 5 5 TYR HD1 H 1 7.241 0.022 . 1 . . . A 5 TYR HD1 . 25510 1 45 . 1 1 5 5 TYR HD2 H 1 7.241 0.022 . 1 . . . A 5 TYR HD2 . 25510 1 46 . 1 1 5 5 TYR HE1 H 1 6.801 0.033 . 1 . . . A 5 TYR HE1 . 25510 1 47 . 1 1 5 5 TYR HE2 H 1 6.801 0.033 . 1 . . . A 5 TYR HE2 . 25510 1 48 . 1 1 5 5 TYR CA C 13 60.913 0.127 . 1 . . . A 5 TYR CA . 25510 1 49 . 1 1 5 5 TYR CB C 13 37.953 0.036 . 1 . . . A 5 TYR CB . 25510 1 50 . 1 1 5 5 TYR CD1 C 13 132.514 0.037 . 1 . . . A 5 TYR CD1 . 25510 1 51 . 1 1 5 5 TYR CD2 C 13 132.514 0.037 . 1 . . . A 5 TYR CD2 . 25510 1 52 . 1 1 5 5 TYR CE1 C 13 117.703 0.094 . 1 . . . A 5 TYR CE1 . 25510 1 53 . 1 1 5 5 TYR CE2 C 13 117.703 0.094 . 1 . . . A 5 TYR CE2 . 25510 1 54 . 1 1 5 5 TYR N N 15 119.991 0.050 . 1 . . . A 5 TYR N . 25510 1 55 . 1 1 6 6 ARG H H 1 8.202 0.028 . 1 . . . A 6 ARG H . 25510 1 56 . 1 1 6 6 ARG HA H 1 3.759 0.015 . 1 . . . A 6 ARG HA . 25510 1 57 . 1 1 6 6 ARG HB2 H 1 1.883 0.043 . 2 . . . A 6 ARG HB2 . 25510 1 58 . 1 1 6 6 ARG HB3 H 1 2.008 0.014 . 2 . . . A 6 ARG HB3 . 25510 1 59 . 1 1 6 6 ARG HG2 H 1 1.402 0.008 . 2 . . . A 6 ARG HG2 . 25510 1 60 . 1 1 6 6 ARG HG3 H 1 1.567 0.014 . 2 . . . A 6 ARG HG3 . 25510 1 61 . 1 1 6 6 ARG HD3 H 1 3.166 0.036 . 2 . . . A 6 ARG HD3 . 25510 1 62 . 1 1 6 6 ARG C C 13 177.365 0.000 . 1 . . . A 6 ARG C . 25510 1 63 . 1 1 6 6 ARG CA C 13 60.661 0.046 . 1 . . . A 6 ARG CA . 25510 1 64 . 1 1 6 6 ARG CB C 13 30.338 0.063 . 1 . . . A 6 ARG CB . 25510 1 65 . 1 1 6 6 ARG CG C 13 27.849 0.070 . 1 . . . A 6 ARG CG . 25510 1 66 . 1 1 6 6 ARG CD C 13 43.468 0.021 . 1 . . . A 6 ARG CD . 25510 1 67 . 1 1 6 6 ARG N N 15 120.010 0.146 . 1 . . . A 6 ARG N . 25510 1 68 . 1 1 7 7 GLU H H 1 8.165 0.007 . 1 . . . A 7 GLU H . 25510 1 69 . 1 1 7 7 GLU HA H 1 4.050 0.030 . 1 . . . A 7 GLU HA . 25510 1 70 . 1 1 7 7 GLU HB3 H 1 2.148 0.019 . 1 . . . A 7 GLU HB3 . 25510 1 71 . 1 1 7 7 GLU HG2 H 1 2.478 0.039 . 2 . . . A 7 GLU HG2 . 25510 1 72 . 1 1 7 7 GLU C C 13 178.544 0.000 . 1 . . . A 7 GLU C . 25510 1 73 . 1 1 7 7 GLU CA C 13 59.414 0.097 . 1 . . . A 7 GLU CA . 25510 1 74 . 1 1 7 7 GLU CB C 13 29.023 0.149 . 1 . . . A 7 GLU CB . 25510 1 75 . 1 1 7 7 GLU CG C 13 35.464 0.016 . 1 . . . A 7 GLU CG . 25510 1 76 . 1 1 7 7 GLU N N 15 116.287 0.097 . 1 . . . A 7 GLU N . 25510 1 77 . 1 1 8 8 MET H H 1 8.168 0.024 . 1 . . . A 8 MET H . 25510 1 78 . 1 1 8 8 MET HA H 1 4.411 0.031 . 1 . . . A 8 MET HA . 25510 1 79 . 1 1 8 8 MET HB2 H 1 2.319 0.035 . 2 . . . A 8 MET HB2 . 25510 1 80 . 1 1 8 8 MET HB3 H 1 1.941 0.033 . 2 . . . A 8 MET HB3 . 25510 1 81 . 1 1 8 8 MET HG2 H 1 3.364 0.026 . 2 . . . A 8 MET HG2 . 25510 1 82 . 1 1 8 8 MET HE1 H 1 1.306 0.024 . 1 . . . A 8 MET HE1 . 25510 1 83 . 1 1 8 8 MET HE2 H 1 1.306 0.024 . 1 . . . A 8 MET HE2 . 25510 1 84 . 1 1 8 8 MET HE3 H 1 1.306 0.024 . 1 . . . A 8 MET HE3 . 25510 1 85 . 1 1 8 8 MET C C 13 177.616 0.000 . 1 . . . A 8 MET C . 25510 1 86 . 1 1 8 8 MET CA C 13 59.067 0.146 . 1 . . . A 8 MET CA . 25510 1 87 . 1 1 8 8 MET CB C 13 32.089 0.154 . 1 . . . A 8 MET CB . 25510 1 88 . 1 1 8 8 MET CG C 13 30.442 0.045 . 1 . . . A 8 MET CG . 25510 1 89 . 1 1 8 8 MET N N 15 116.181 0.104 . 1 . . . A 8 MET N . 25510 1 90 . 1 1 9 9 LEU H H 1 7.883 0.007 . 1 . . . A 9 LEU H . 25510 1 91 . 1 1 9 9 LEU HA H 1 3.981 0.040 . 1 . . . A 9 LEU HA . 25510 1 92 . 1 1 9 9 LEU HB2 H 1 1.756 0.026 . 2 . . . A 9 LEU HB2 . 25510 1 93 . 1 1 9 9 LEU HB3 H 1 2.067 0.043 . 2 . . . A 9 LEU HB3 . 25510 1 94 . 1 1 9 9 LEU HG H 1 1.618 0.044 . 1 . . . A 9 LEU HG . 25510 1 95 . 1 1 9 9 LEU HD11 H 1 0.938 0.017 . 2 . . . A 9 LEU HD11 . 25510 1 96 . 1 1 9 9 LEU HD12 H 1 0.938 0.017 . 2 . . . A 9 LEU HD12 . 25510 1 97 . 1 1 9 9 LEU HD13 H 1 0.938 0.017 . 2 . . . A 9 LEU HD13 . 25510 1 98 . 1 1 9 9 LEU HD21 H 1 0.901 0.046 . 2 . . . A 9 LEU HD21 . 25510 1 99 . 1 1 9 9 LEU HD22 H 1 0.901 0.046 . 2 . . . A 9 LEU HD22 . 25510 1 100 . 1 1 9 9 LEU HD23 H 1 0.901 0.046 . 2 . . . A 9 LEU HD23 . 25510 1 101 . 1 1 9 9 LEU C C 13 177.211 0.000 . 1 . . . A 9 LEU C . 25510 1 102 . 1 1 9 9 LEU CA C 13 58.501 0.100 . 1 . . . A 9 LEU CA . 25510 1 103 . 1 1 9 9 LEU CB C 13 42.298 0.053 . 1 . . . A 9 LEU CB . 25510 1 104 . 1 1 9 9 LEU CG C 13 27.629 0.005 . 1 . . . A 9 LEU CG . 25510 1 105 . 1 1 9 9 LEU CD1 C 13 25.015 0.000 . 1 . . . A 9 LEU CD1 . 25510 1 106 . 1 1 9 9 LEU CD2 C 13 20.676 0.132 . 1 . . . A 9 LEU CD2 . 25510 1 107 . 1 1 9 9 LEU N N 15 122.056 0.090 . 1 . . . A 9 LEU N . 25510 1 108 . 1 1 10 10 LEU H H 1 8.011 0.008 . 1 . . . A 10 LEU H . 25510 1 109 . 1 1 10 10 LEU HA H 1 3.954 0.007 . 1 . . . A 10 LEU HA . 25510 1 110 . 1 1 10 10 LEU HB2 H 1 1.714 0.011 . 2 . . . A 10 LEU HB2 . 25510 1 111 . 1 1 10 10 LEU HB3 H 1 1.487 0.022 . 2 . . . A 10 LEU HB3 . 25510 1 112 . 1 1 10 10 LEU HD11 H 1 0.817 0.042 . 2 . . . A 10 LEU HD11 . 25510 1 113 . 1 1 10 10 LEU HD12 H 1 0.817 0.042 . 2 . . . A 10 LEU HD12 . 25510 1 114 . 1 1 10 10 LEU HD13 H 1 0.817 0.042 . 2 . . . A 10 LEU HD13 . 25510 1 115 . 1 1 10 10 LEU C C 13 176.132 0.000 . 1 . . . A 10 LEU C . 25510 1 116 . 1 1 10 10 LEU CA C 13 58.392 0.074 . 1 . . . A 10 LEU CA . 25510 1 117 . 1 1 10 10 LEU CB C 13 43.732 0.027 . 1 . . . A 10 LEU CB . 25510 1 118 . 1 1 10 10 LEU CG C 13 27.156 0.034 . 1 . . . A 10 LEU CG . 25510 1 119 . 1 1 10 10 LEU CD1 C 13 24.418 0.147 . 1 . . . A 10 LEU CD1 . 25510 1 120 . 1 1 10 10 LEU N N 15 117.952 0.106 . 1 . . . A 10 LEU N . 25510 1 121 . 1 1 11 11 LEU H H 1 8.916 0.019 . 1 . . . A 11 LEU H . 25510 1 122 . 1 1 11 11 LEU HA H 1 4.150 0.007 . 1 . . . A 11 LEU HA . 25510 1 123 . 1 1 11 11 LEU HB2 H 1 1.475 0.010 . 1 . . . A 11 LEU HB2 . 25510 1 124 . 1 1 11 11 LEU HB3 H 1 1.813 0.015 . 1 . . . A 11 LEU HB3 . 25510 1 125 . 1 1 11 11 LEU HG H 1 1.989 0.027 . 1 . . . A 11 LEU HG . 25510 1 126 . 1 1 11 11 LEU HD11 H 1 0.874 0.019 . 1 . . . A 11 LEU HD11 . 25510 1 127 . 1 1 11 11 LEU HD12 H 1 0.874 0.019 . 1 . . . A 11 LEU HD12 . 25510 1 128 . 1 1 11 11 LEU HD13 H 1 0.874 0.019 . 1 . . . A 11 LEU HD13 . 25510 1 129 . 1 1 11 11 LEU C C 13 179.384 0.000 . 1 . . . A 11 LEU C . 25510 1 130 . 1 1 11 11 LEU CA C 13 57.940 0.102 . 1 . . . A 11 LEU CA . 25510 1 131 . 1 1 11 11 LEU CB C 13 41.667 0.082 . 1 . . . A 11 LEU CB . 25510 1 132 . 1 1 11 11 LEU CG C 13 27.585 0.000 . 1 . . . A 11 LEU CG . 25510 1 133 . 1 1 11 11 LEU CD2 C 13 22.717 0.000 . 1 . . . A 11 LEU CD2 . 25510 1 134 . 1 1 11 11 LEU N N 15 116.301 0.080 . 1 . . . A 11 LEU N . 25510 1 135 . 1 1 12 12 THR H H 1 7.753 0.006 . 1 . . . A 12 THR H . 25510 1 136 . 1 1 12 12 THR HA H 1 4.148 0.005 . 1 . . . A 12 THR HA . 25510 1 137 . 1 1 12 12 THR HB H 1 4.359 0.010 . 1 . . . A 12 THR HB . 25510 1 138 . 1 1 12 12 THR HG21 H 1 1.039 0.011 . 1 . . . A 12 THR HG1 . 25510 1 139 . 1 1 12 12 THR HG22 H 1 1.039 0.011 . 1 . . . A 12 THR HG1 . 25510 1 140 . 1 1 12 12 THR HG23 H 1 1.039 0.011 . 1 . . . A 12 THR HG1 . 25510 1 141 . 1 1 12 12 THR C C 13 174.055 0.000 . 1 . . . A 12 THR C . 25510 1 142 . 1 1 12 12 THR CA C 13 65.127 0.051 . 1 . . . A 12 THR CA . 25510 1 143 . 1 1 12 12 THR CB C 13 68.421 0.124 . 1 . . . A 12 THR CB . 25510 1 144 . 1 1 12 12 THR CG2 C 13 22.529 0.061 . 1 . . . A 12 THR CG2 . 25510 1 145 . 1 1 12 12 THR N N 15 112.429 0.076 . 1 . . . A 12 THR N . 25510 1 146 . 1 1 13 13 GLY H H 1 7.019 0.010 . 1 . . . A 13 GLY H . 25510 1 147 . 1 1 13 13 GLY HA2 H 1 3.504 0.005 . 1 . . . A 13 GLY HA2 . 25510 1 148 . 1 1 13 13 GLY HA3 H 1 4.074 0.009 . 1 . . . A 13 GLY HA3 . 25510 1 149 . 1 1 13 13 GLY C C 13 173.259 0.000 . 1 . . . A 13 GLY C . 25510 1 150 . 1 1 13 13 GLY CA C 13 46.434 0.076 . 1 . . . A 13 GLY CA . 25510 1 151 . 1 1 13 13 GLY N N 15 124.320 0.052 . 1 . . . A 13 GLY N . 25510 1 152 . 1 1 14 14 LEU H H 1 8.941 0.012 . 1 . . . A 14 LEU H . 25510 1 153 . 1 1 14 14 LEU HA H 1 3.916 0.015 . 1 . . . A 14 LEU HA . 25510 1 154 . 1 1 14 14 LEU HB2 H 1 1.660 0.019 . 1 . . . A 14 LEU HB2 . 25510 1 155 . 1 1 14 14 LEU HB3 H 1 1.991 0.026 . 1 . . . A 14 LEU HB3 . 25510 1 156 . 1 1 14 14 LEU HG H 1 1.163 0.034 . 1 . . . A 14 LEU HG . 25510 1 157 . 1 1 14 14 LEU HD11 H 1 0.870 0.028 . 1 . . . A 14 LEU HD11 . 25510 1 158 . 1 1 14 14 LEU HD12 H 1 0.870 0.028 . 1 . . . A 14 LEU HD12 . 25510 1 159 . 1 1 14 14 LEU HD13 H 1 0.870 0.028 . 1 . . . A 14 LEU HD13 . 25510 1 160 . 1 1 14 14 LEU HD21 H 1 0.132 0.004 . 1 . . . A 14 LEU HD21 . 25510 1 161 . 1 1 14 14 LEU HD22 H 1 0.132 0.004 . 1 . . . A 14 LEU HD22 . 25510 1 162 . 1 1 14 14 LEU HD23 H 1 0.132 0.004 . 1 . . . A 14 LEU HD23 . 25510 1 163 . 1 1 14 14 LEU C C 13 178.842 0.000 . 1 . . . A 14 LEU C . 25510 1 164 . 1 1 14 14 LEU CA C 13 58.050 0.092 . 1 . . . A 14 LEU CA . 25510 1 165 . 1 1 14 14 LEU CB C 13 41.826 0.168 . 1 . . . A 14 LEU CB . 25510 1 166 . 1 1 14 14 LEU CG C 13 26.986 0.060 . 1 . . . A 14 LEU CG . 25510 1 167 . 1 1 14 14 LEU N N 15 121.922 0.065 . 1 . . . A 14 LEU N . 25510 1 168 . 1 1 15 15 ASP H H 1 9.012 0.006 . 1 . . . A 15 ASP H . 25510 1 169 . 1 1 15 15 ASP HA H 1 4.499 0.016 . 1 . . . A 15 ASP HA . 25510 1 170 . 1 1 15 15 ASP HB2 H 1 2.832 0.024 . 2 . . . A 15 ASP HB2 . 25510 1 171 . 1 1 15 15 ASP HB3 H 1 2.693 0.010 . 2 . . . A 15 ASP HB3 . 25510 1 172 . 1 1 15 15 ASP C C 13 175.905 0.000 . 1 . . . A 15 ASP C . 25510 1 173 . 1 1 15 15 ASP CA C 13 54.805 0.055 . 1 . . . A 15 ASP CA . 25510 1 174 . 1 1 15 15 ASP CB C 13 37.826 0.078 . 1 . . . A 15 ASP CB . 25510 1 175 . 1 1 15 15 ASP N N 15 115.417 0.050 . 1 . . . A 15 ASP N . 25510 1 176 . 1 1 16 16 HIS H H 1 7.807 0.020 . 1 . . . A 16 HIS H . 25510 1 177 . 1 1 16 16 HIS HA H 1 4.734 0.030 . 1 . . . A 16 HIS HA . 25510 1 178 . 1 1 16 16 HIS HB2 H 1 2.835 0.005 . 2 . . . A 16 HIS HB2 . 25510 1 179 . 1 1 16 16 HIS HB3 H 1 3.532 0.005 . 2 . . . A 16 HIS HB3 . 25510 1 180 . 1 1 16 16 HIS CA C 13 55.572 0.035 . 1 . . . A 16 HIS CA . 25510 1 181 . 1 1 16 16 HIS CB C 13 29.222 0.053 . 1 . . . A 16 HIS CB . 25510 1 182 . 1 1 16 16 HIS N N 15 114.840 0.053 . 1 . . . A 16 HIS N . 25510 1 183 . 1 1 17 17 ILE H H 1 7.041 0.006 . 1 . . . A 17 ILE H . 25510 1 184 . 1 1 17 17 ILE HA H 1 4.961 0.006 . 1 . . . A 17 ILE HA . 25510 1 185 . 1 1 17 17 ILE HB H 1 2.328 0.019 . 1 . . . A 17 ILE HB . 25510 1 186 . 1 1 17 17 ILE HG13 H 1 1.505 0.027 . 1 . . . A 17 ILE HG13 . 25510 1 187 . 1 1 17 17 ILE HG21 H 1 0.769 0.010 . 1 . . . A 17 ILE HG21 . 25510 1 188 . 1 1 17 17 ILE HG22 H 1 0.769 0.010 . 1 . . . A 17 ILE HG22 . 25510 1 189 . 1 1 17 17 ILE HG23 H 1 0.769 0.010 . 1 . . . A 17 ILE HG23 . 25510 1 190 . 1 1 17 17 ILE HD11 H 1 0.759 0.021 . 1 . . . A 17 ILE HD11 . 25510 1 191 . 1 1 17 17 ILE HD12 H 1 0.759 0.021 . 1 . . . A 17 ILE HD12 . 25510 1 192 . 1 1 17 17 ILE HD13 H 1 0.759 0.021 . 1 . . . A 17 ILE HD13 . 25510 1 193 . 1 1 17 17 ILE C C 13 176.154 0.000 . 1 . . . A 17 ILE C . 25510 1 194 . 1 1 17 17 ILE CA C 13 59.512 0.068 . 1 . . . A 17 ILE CA . 25510 1 195 . 1 1 17 17 ILE CB C 13 39.674 0.032 . 1 . . . A 17 ILE CB . 25510 1 196 . 1 1 17 17 ILE CG1 C 13 24.497 0.078 . 1 . . . A 17 ILE CG1 . 25510 1 197 . 1 1 17 17 ILE CG2 C 13 18.041 0.064 . 1 . . . A 17 ILE CG2 . 25510 1 198 . 1 1 17 17 ILE CD1 C 13 13.790 0.050 . 1 . . . A 17 ILE CD1 . 25510 1 199 . 1 1 17 17 ILE N N 15 111.347 0.056 . 1 . . . A 17 ILE N . 25510 1 200 . 1 1 18 18 THR H H 1 8.672 0.016 . 1 . . . A 18 THR H . 25510 1 201 . 1 1 18 18 THR HA H 1 4.384 0.010 . 1 . . . A 18 THR HA . 25510 1 202 . 1 1 18 18 THR HB H 1 4.848 0.006 . 1 . . . A 18 THR HB . 25510 1 203 . 1 1 18 18 THR HG21 H 1 1.348 0.006 . 1 . . . A 18 THR HG1 . 25510 1 204 . 1 1 18 18 THR HG22 H 1 1.348 0.006 . 1 . . . A 18 THR HG1 . 25510 1 205 . 1 1 18 18 THR HG23 H 1 1.348 0.006 . 1 . . . A 18 THR HG1 . 25510 1 206 . 1 1 18 18 THR C C 13 174.991 0.000 . 1 . . . A 18 THR C . 25510 1 207 . 1 1 18 18 THR CA C 13 61.063 0.066 . 1 . . . A 18 THR CA . 25510 1 208 . 1 1 18 18 THR CB C 13 71.227 0.028 . 1 . . . A 18 THR CB . 25510 1 209 . 1 1 18 18 THR CG2 C 13 21.709 0.055 . 1 . . . A 18 THR CG2 . 25510 1 210 . 1 1 18 18 THR N N 15 114.804 0.062 . 1 . . . A 18 THR N . 25510 1 211 . 1 1 19 19 GLU H H 1 8.886 0.009 . 1 . . . A 19 GLU H . 25510 1 212 . 1 1 19 19 GLU HA H 1 4.032 0.030 . 1 . . . A 19 GLU HA . 25510 1 213 . 1 1 19 19 GLU HB3 H 1 2.152 0.006 . 2 . . . A 19 GLU HB3 . 25510 1 214 . 1 1 19 19 GLU CA C 13 59.872 0.100 . 1 . . . A 19 GLU CA . 25510 1 215 . 1 1 19 19 GLU CB C 13 28.951 0.095 . 1 . . . A 19 GLU CB . 25510 1 216 . 1 1 19 19 GLU N N 15 119.385 0.080 . 1 . . . A 19 GLU N . 25510 1 217 . 1 1 20 20 GLU HA H 1 4.090 0.018 . 1 . . . A 20 GLU HA . 25510 1 218 . 1 1 20 20 GLU HB3 H 1 2.057 0.032 . 2 . . . A 20 GLU HB3 . 25510 1 219 . 1 1 20 20 GLU HG2 H 1 2.442 0.027 . 2 . . . A 20 GLU HG2 . 25510 1 220 . 1 1 20 20 GLU C C 13 179.664 0.000 . 1 . . . A 20 GLU C . 25510 1 221 . 1 1 20 20 GLU CA C 13 59.595 0.122 . 1 . . . A 20 GLU CA . 25510 1 222 . 1 1 20 20 GLU CB C 13 29.043 0.060 . 1 . . . A 20 GLU CB . 25510 1 223 . 1 1 20 20 GLU CG C 13 35.747 0.150 . 1 . . . A 20 GLU CG . 25510 1 224 . 1 1 21 21 GLU H H 1 7.611 0.008 . 1 . . . A 21 GLU H . 25510 1 225 . 1 1 21 21 GLU HA H 1 4.270 0.022 . 1 . . . A 21 GLU HA . 25510 1 226 . 1 1 21 21 GLU HB2 H 1 2.056 0.028 . 1 . . . A 21 GLU HB2 . 25510 1 227 . 1 1 21 21 GLU HB3 H 1 2.411 0.019 . 1 . . . A 21 GLU HB3 . 25510 1 228 . 1 1 21 21 GLU HG2 H 1 2.477 0.010 . 2 . . . A 21 GLU HG2 . 25510 1 229 . 1 1 21 21 GLU C C 13 179.079 0.000 . 1 . . . A 21 GLU C . 25510 1 230 . 1 1 21 21 GLU CA C 13 58.518 0.079 . 1 . . . A 21 GLU CA . 25510 1 231 . 1 1 21 21 GLU CB C 13 29.885 0.078 . 1 . . . A 21 GLU CB . 25510 1 232 . 1 1 21 21 GLU CG C 13 35.723 0.040 . 1 . . . A 21 GLU CG . 25510 1 233 . 1 1 21 21 GLU N N 15 120.346 0.063 . 1 . . . A 21 GLU N . 25510 1 234 . 1 1 22 22 LEU H H 1 9.016 0.011 . 1 . . . A 22 LEU H . 25510 1 235 . 1 1 22 22 LEU HA H 1 4.132 0.027 . 1 . . . A 22 LEU HA . 25510 1 236 . 1 1 22 22 LEU HB2 H 1 1.538 0.036 . 2 . . . A 22 LEU HB2 . 25510 1 237 . 1 1 22 22 LEU HB3 H 1 2.182 0.010 . 2 . . . A 22 LEU HB3 . 25510 1 238 . 1 1 22 22 LEU HG H 1 0.887 0.036 . 1 . . . A 22 LEU HG . 25510 1 239 . 1 1 22 22 LEU HD11 H 1 0.475 0.045 . 2 . . . A 22 LEU HD11 . 25510 1 240 . 1 1 22 22 LEU HD12 H 1 0.475 0.045 . 2 . . . A 22 LEU HD12 . 25510 1 241 . 1 1 22 22 LEU HD13 H 1 0.475 0.045 . 2 . . . A 22 LEU HD13 . 25510 1 242 . 1 1 22 22 LEU C C 13 178.698 0.000 . 1 . . . A 22 LEU C . 25510 1 243 . 1 1 22 22 LEU CA C 13 57.861 0.069 . 1 . . . A 22 LEU CA . 25510 1 244 . 1 1 22 22 LEU CB C 13 41.720 0.065 . 1 . . . A 22 LEU CB . 25510 1 245 . 1 1 22 22 LEU CG C 13 26.034 0.089 . 1 . . . A 22 LEU CG . 25510 1 246 . 1 1 22 22 LEU CD2 C 13 24.536 0.000 . 1 . . . A 22 LEU CD2 . 25510 1 247 . 1 1 22 22 LEU N N 15 122.508 0.080 . 1 . . . A 22 LEU N . 25510 1 248 . 1 1 23 23 LYS H H 1 7.777 0.013 . 1 . . . A 23 LYS H . 25510 1 249 . 1 1 23 23 LYS HA H 1 3.986 0.037 . 1 . . . A 23 LYS HA . 25510 1 250 . 1 1 23 23 LYS HB2 H 1 2.038 0.014 . 2 . . . A 23 LYS HB2 . 25510 1 251 . 1 1 23 23 LYS HG2 H 1 1.744 0.020 . 2 . . . A 23 LYS HG2 . 25510 1 252 . 1 1 23 23 LYS HG3 H 1 1.347 0.047 . 2 . . . A 23 LYS HG3 . 25510 1 253 . 1 1 23 23 LYS HD2 H 1 1.624 0.008 . 2 . . . A 23 LYS HD2 . 25510 1 254 . 1 1 23 23 LYS HD3 H 1 1.471 0.017 . 2 . . . A 23 LYS HD3 . 25510 1 255 . 1 1 23 23 LYS HE2 H 1 2.974 0.033 . 2 . . . A 23 LYS HE2 . 25510 1 256 . 1 1 23 23 LYS HE3 H 1 2.952 0.042 . 2 . . . A 23 LYS HE3 . 25510 1 257 . 1 1 23 23 LYS HZ1 H 1 8.073 0.000 . 1 . . . A 23 LYS HZ1 . 25510 1 258 . 1 1 23 23 LYS HZ2 H 1 8.073 0.000 . 1 . . . A 23 LYS HZ2 . 25510 1 259 . 1 1 23 23 LYS HZ3 H 1 8.073 0.000 . 1 . . . A 23 LYS HZ3 . 25510 1 260 . 1 1 23 23 LYS C C 13 179.624 0.000 . 1 . . . A 23 LYS C . 25510 1 261 . 1 1 23 23 LYS CA C 13 60.691 0.052 . 1 . . . A 23 LYS CA . 25510 1 262 . 1 1 23 23 LYS CB C 13 32.394 0.100 . 1 . . . A 23 LYS CB . 25510 1 263 . 1 1 23 23 LYS CG C 13 25.872 0.149 . 1 . . . A 23 LYS CG . 25510 1 264 . 1 1 23 23 LYS CD C 13 32.075 0.026 . 1 . . . A 23 LYS CD . 25510 1 265 . 1 1 23 23 LYS CE C 13 42.096 0.114 . 1 . . . A 23 LYS CE . 25510 1 266 . 1 1 23 23 LYS N N 15 119.162 0.131 . 1 . . . A 23 LYS N . 25510 1 267 . 1 1 24 24 ARG H H 1 7.397 0.010 . 1 . . . A 24 ARG H . 25510 1 268 . 1 1 24 24 ARG HA H 1 4.201 0.012 . 1 . . . A 24 ARG HA . 25510 1 269 . 1 1 24 24 ARG HB3 H 1 2.232 0.010 . 2 . . . A 24 ARG HB3 . 25510 1 270 . 1 1 24 24 ARG HG2 H 1 1.769 0.032 . 2 . . . A 24 ARG HG2 . 25510 1 271 . 1 1 24 24 ARG HG3 H 1 1.972 0.038 . 2 . . . A 24 ARG HG3 . 25510 1 272 . 1 1 24 24 ARG HD3 H 1 3.273 0.018 . 2 . . . A 24 ARG HD3 . 25510 1 273 . 1 1 24 24 ARG HE H 1 6.793 0.024 . 1 . . . A 24 ARG HE . 25510 1 274 . 1 1 24 24 ARG C C 13 178.260 0.000 . 1 . . . A 24 ARG C . 25510 1 275 . 1 1 24 24 ARG CA C 13 59.232 0.069 . 1 . . . A 24 ARG CA . 25510 1 276 . 1 1 24 24 ARG CB C 13 29.794 0.029 . 1 . . . A 24 ARG CB . 25510 1 277 . 1 1 24 24 ARG CG C 13 27.558 0.047 . 1 . . . A 24 ARG CG . 25510 1 278 . 1 1 24 24 ARG CD C 13 43.293 0.055 . 1 . . . A 24 ARG CD . 25510 1 279 . 1 1 24 24 ARG N N 15 119.502 0.099 . 1 . . . A 24 ARG N . 25510 1 280 . 1 1 24 24 ARG NE N 15 112.687 0.000 . 1 . . . A 24 ARG NE . 25510 1 281 . 1 1 25 25 PHE H H 1 8.798 0.017 . 1 . . . A 25 PHE H . 25510 1 282 . 1 1 25 25 PHE HA H 1 3.868 0.041 . 1 . . . A 25 PHE HA . 25510 1 283 . 1 1 25 25 PHE HB2 H 1 2.848 0.023 . 2 . . . A 25 PHE HB2 . 25510 1 284 . 1 1 25 25 PHE HB3 H 1 3.570 0.035 . 2 . . . A 25 PHE HB3 . 25510 1 285 . 1 1 25 25 PHE HD1 H 1 6.621 0.039 . 1 . . . A 25 PHE HD1 . 25510 1 286 . 1 1 25 25 PHE HD2 H 1 6.621 0.039 . 1 . . . A 25 PHE HD2 . 25510 1 287 . 1 1 25 25 PHE HE1 H 1 6.556 0.021 . 1 . . . A 25 PHE HE1 . 25510 1 288 . 1 1 25 25 PHE HE2 H 1 6.556 0.021 . 1 . . . A 25 PHE HE2 . 25510 1 289 . 1 1 25 25 PHE C C 13 177.302 0.000 . 1 . . . A 25 PHE C . 25510 1 290 . 1 1 25 25 PHE CA C 13 62.181 0.053 . 1 . . . A 25 PHE CA . 25510 1 291 . 1 1 25 25 PHE CB C 13 39.543 0.050 . 1 . . . A 25 PHE CB . 25510 1 292 . 1 1 25 25 PHE CD1 C 13 132.265 0.185 . 1 . . . A 25 PHE CD1 . 25510 1 293 . 1 1 25 25 PHE CD2 C 13 132.265 0.185 . 1 . . . A 25 PHE CD2 . 25510 1 294 . 1 1 25 25 PHE CE1 C 13 130.489 0.019 . 1 . . . A 25 PHE CE1 . 25510 1 295 . 1 1 25 25 PHE CE2 C 13 130.489 0.019 . 1 . . . A 25 PHE CE2 . 25510 1 296 . 1 1 25 25 PHE N N 15 120.567 0.161 . 1 . . . A 25 PHE N . 25510 1 297 . 1 1 26 26 LYS H H 1 8.841 0.018 . 1 . . . A 26 LYS H . 25510 1 298 . 1 1 26 26 LYS HA H 1 3.674 0.018 . 1 . . . A 26 LYS HA . 25510 1 299 . 1 1 26 26 LYS HB2 H 1 1.902 0.027 . 2 . . . A 26 LYS HB2 . 25510 1 300 . 1 1 26 26 LYS HB3 H 1 2.086 0.026 . 2 . . . A 26 LYS HB3 . 25510 1 301 . 1 1 26 26 LYS HG2 H 1 1.203 0.024 . 2 . . . A 26 LYS HG2 . 25510 1 302 . 1 1 26 26 LYS HD2 H 1 1.784 0.032 . 2 . . . A 26 LYS HD2 . 25510 1 303 . 1 1 26 26 LYS HD3 H 1 1.998 0.022 . 2 . . . A 26 LYS HD3 . 25510 1 304 . 1 1 26 26 LYS HE2 H 1 3.234 0.000 . 2 . . . A 26 LYS HE2 . 25510 1 305 . 1 1 26 26 LYS HZ1 H 1 8.559 0.043 . 1 . . . A 26 LYS HZ1 . 25510 1 306 . 1 1 26 26 LYS HZ2 H 1 8.559 0.043 . 1 . . . A 26 LYS HZ2 . 25510 1 307 . 1 1 26 26 LYS HZ3 H 1 8.559 0.043 . 1 . . . A 26 LYS HZ3 . 25510 1 308 . 1 1 26 26 LYS C C 13 177.118 0.000 . 1 . . . A 26 LYS C . 25510 1 309 . 1 1 26 26 LYS CA C 13 60.962 0.069 . 1 . . . A 26 LYS CA . 25510 1 310 . 1 1 26 26 LYS CB C 13 33.039 0.157 . 1 . . . A 26 LYS CB . 25510 1 311 . 1 1 26 26 LYS CG C 13 27.947 0.025 . 1 . . . A 26 LYS CG . 25510 1 312 . 1 1 26 26 LYS CD C 13 30.887 0.117 . 1 . . . A 26 LYS CD . 25510 1 313 . 1 1 26 26 LYS N N 15 117.901 0.103 . 1 . . . A 26 LYS N . 25510 1 314 . 1 1 27 27 TYR H H 1 7.645 0.019 . 1 . . . A 27 TYR H . 25510 1 315 . 1 1 27 27 TYR HA H 1 4.156 0.024 . 1 . . . A 27 TYR HA . 25510 1 316 . 1 1 27 27 TYR HB2 H 1 3.140 0.015 . 1 . . . A 27 TYR HB2 . 25510 1 317 . 1 1 27 27 TYR HD1 H 1 6.650 0.039 . 1 . . . A 27 TYR HD1 . 25510 1 318 . 1 1 27 27 TYR HD2 H 1 6.650 0.039 . 1 . . . A 27 TYR HD2 . 25510 1 319 . 1 1 27 27 TYR HE1 H 1 6.696 0.031 . 1 . . . A 27 TYR HE1 . 25510 1 320 . 1 1 27 27 TYR HE2 H 1 6.696 0.031 . 1 . . . A 27 TYR HE2 . 25510 1 321 . 1 1 27 27 TYR C C 13 178.460 0.000 . 1 . . . A 27 TYR C . 25510 1 322 . 1 1 27 27 TYR CA C 13 61.457 0.032 . 1 . . . A 27 TYR CA . 25510 1 323 . 1 1 27 27 TYR CB C 13 37.747 0.043 . 1 . . . A 27 TYR CB . 25510 1 324 . 1 1 27 27 TYR CE1 C 13 118.252 0.000 . 1 . . . A 27 TYR CE1 . 25510 1 325 . 1 1 27 27 TYR CE2 C 13 118.252 0.000 . 1 . . . A 27 TYR CE2 . 25510 1 326 . 1 1 27 27 TYR N N 15 118.480 0.080 . 1 . . . A 27 TYR N . 25510 1 327 . 1 1 28 28 PHE H H 1 7.741 0.012 . 1 . . . A 28 PHE H . 25510 1 328 . 1 1 28 28 PHE HA H 1 4.246 0.006 . 1 . . . A 28 PHE HA . 25510 1 329 . 1 1 28 28 PHE HB2 H 1 2.938 0.022 . 1 . . . A 28 PHE HB2 . 25510 1 330 . 1 1 28 28 PHE HB3 H 1 2.815 0.017 . 1 . . . A 28 PHE HB3 . 25510 1 331 . 1 1 28 28 PHE HD1 H 1 7.382 0.008 . 1 . . . A 28 PHE HD1 . 25510 1 332 . 1 1 28 28 PHE HD2 H 1 7.382 0.008 . 1 . . . A 28 PHE HD2 . 25510 1 333 . 1 1 28 28 PHE C C 13 178.827 0.000 . 1 . . . A 28 PHE C . 25510 1 334 . 1 1 28 28 PHE CA C 13 60.802 0.054 . 1 . . . A 28 PHE CA . 25510 1 335 . 1 1 28 28 PHE CB C 13 40.077 0.049 . 1 . . . A 28 PHE CB . 25510 1 336 . 1 1 28 28 PHE CD1 C 13 131.676 0.000 . 1 . . . A 28 PHE CD1 . 25510 1 337 . 1 1 28 28 PHE CD2 C 13 131.676 0.000 . 1 . . . A 28 PHE CD2 . 25510 1 338 . 1 1 28 28 PHE N N 15 117.525 0.084 . 1 . . . A 28 PHE N . 25510 1 339 . 1 1 29 29 ALA H H 1 8.840 0.007 . 1 . . . A 29 ALA H . 25510 1 340 . 1 1 29 29 ALA HA H 1 3.973 0.008 . 1 . . . A 29 ALA HA . 25510 1 341 . 1 1 29 29 ALA HB1 H 1 1.207 0.016 . 1 . . . A 29 ALA HB1 . 25510 1 342 . 1 1 29 29 ALA HB2 H 1 1.207 0.016 . 1 . . . A 29 ALA HB2 . 25510 1 343 . 1 1 29 29 ALA HB3 H 1 1.207 0.016 . 1 . . . A 29 ALA HB3 . 25510 1 344 . 1 1 29 29 ALA C C 13 178.340 0.000 . 1 . . . A 29 ALA C . 25510 1 345 . 1 1 29 29 ALA CA C 13 55.322 0.039 . 1 . . . A 29 ALA CA . 25510 1 346 . 1 1 29 29 ALA CB C 13 17.204 0.056 . 1 . . . A 29 ALA CB . 25510 1 347 . 1 1 29 29 ALA N N 15 123.372 0.082 . 1 . . . A 29 ALA N . 25510 1 348 . 1 1 30 30 LEU H H 1 7.443 0.031 . 1 . . . A 30 LEU H . 25510 1 349 . 1 1 30 30 LEU HA H 1 4.039 0.017 . 1 . . . A 30 LEU HA . 25510 1 350 . 1 1 30 30 LEU HB2 H 1 1.624 0.042 . 1 . . . A 30 LEU HB2 . 25510 1 351 . 1 1 30 30 LEU HB3 H 1 1.703 0.010 . 1 . . . A 30 LEU HB3 . 25510 1 352 . 1 1 30 30 LEU HG H 1 1.863 0.036 . 1 . . . A 30 LEU HG . 25510 1 353 . 1 1 30 30 LEU HD11 H 1 0.802 0.040 . 2 . . . A 30 LEU HD11 . 25510 1 354 . 1 1 30 30 LEU HD12 H 1 0.802 0.040 . 2 . . . A 30 LEU HD12 . 25510 1 355 . 1 1 30 30 LEU HD13 H 1 0.802 0.040 . 2 . . . A 30 LEU HD13 . 25510 1 356 . 1 1 30 30 LEU HD21 H 1 0.927 0.044 . 2 . . . A 30 LEU HD21 . 25510 1 357 . 1 1 30 30 LEU HD22 H 1 0.927 0.044 . 2 . . . A 30 LEU HD22 . 25510 1 358 . 1 1 30 30 LEU HD23 H 1 0.927 0.044 . 2 . . . A 30 LEU HD23 . 25510 1 359 . 1 1 30 30 LEU C C 13 178.373 0.000 . 1 . . . A 30 LEU C . 25510 1 360 . 1 1 30 30 LEU CA C 13 58.344 0.078 . 1 . . . A 30 LEU CA . 25510 1 361 . 1 1 30 30 LEU CB C 13 41.927 0.091 . 1 . . . A 30 LEU CB . 25510 1 362 . 1 1 30 30 LEU CG C 13 26.373 0.073 . 1 . . . A 30 LEU CG . 25510 1 363 . 1 1 30 30 LEU CD1 C 13 23.822 0.120 . 1 . . . A 30 LEU CD1 . 25510 1 364 . 1 1 30 30 LEU CD2 C 13 25.207 0.000 . 1 . . . A 30 LEU CD2 . 25510 1 365 . 1 1 30 30 LEU N N 15 117.039 0.064 . 1 . . . A 30 LEU N . 25510 1 366 . 1 1 31 31 THR H H 1 7.014 0.013 . 1 . . . A 31 THR H . 25510 1 367 . 1 1 31 31 THR HA H 1 4.228 0.033 . 1 . . . A 31 THR HA . 25510 1 368 . 1 1 31 31 THR HB H 1 4.074 0.016 . 1 . . . A 31 THR HB . 25510 1 369 . 1 1 31 31 THR HG21 H 1 1.174 0.019 . 1 . . . A 31 THR HG21 . 25510 1 370 . 1 1 31 31 THR HG22 H 1 1.174 0.019 . 1 . . . A 31 THR HG22 . 25510 1 371 . 1 1 31 31 THR HG23 H 1 1.174 0.019 . 1 . . . A 31 THR HG23 . 25510 1 372 . 1 1 31 31 THR C C 13 176.282 0.000 . 1 . . . A 31 THR C . 25510 1 373 . 1 1 31 31 THR CA C 13 63.328 0.045 . 1 . . . A 31 THR CA . 25510 1 374 . 1 1 31 31 THR CB C 13 69.170 0.031 . 1 . . . A 31 THR CB . 25510 1 375 . 1 1 31 31 THR CG2 C 13 22.020 0.049 . 1 . . . A 31 THR CG2 . 25510 1 376 . 1 1 31 31 THR N N 15 125.874 0.105 . 1 . . . A 31 THR N . 25510 1 377 . 1 1 32 32 GLU H H 1 7.808 0.011 . 1 . . . A 32 GLU H . 25510 1 378 . 1 1 32 32 GLU HA H 1 4.152 0.033 . 1 . . . A 32 GLU HA . 25510 1 379 . 1 1 32 32 GLU HB2 H 1 1.795 0.005 . 2 . . . A 32 GLU HB2 . 25510 1 380 . 1 1 32 32 GLU HB3 H 1 1.930 0.026 . 2 . . . A 32 GLU HB3 . 25510 1 381 . 1 1 32 32 GLU HG2 H 1 2.202 0.008 . 2 . . . A 32 GLU HG2 . 25510 1 382 . 1 1 32 32 GLU C C 13 175.968 0.000 . 1 . . . A 32 GLU C . 25510 1 383 . 1 1 32 32 GLU CA C 13 57.781 0.129 . 1 . . . A 32 GLU CA . 25510 1 384 . 1 1 32 32 GLU CB C 13 31.061 0.090 . 1 . . . A 32 GLU CB . 25510 1 385 . 1 1 32 32 GLU CG C 13 34.436 0.078 . 1 . . . A 32 GLU CG . 25510 1 386 . 1 1 32 32 GLU N N 15 120.558 0.055 . 1 . . . A 32 GLU N . 25510 1 387 . 1 1 33 33 PHE H H 1 8.390 0.013 . 1 . . . A 33 PHE H . 25510 1 388 . 1 1 33 33 PHE HA H 1 4.470 0.024 . 1 . . . A 33 PHE HA . 25510 1 389 . 1 1 33 33 PHE HB2 H 1 2.959 0.023 . 2 . . . A 33 PHE HB2 . 25510 1 390 . 1 1 33 33 PHE HD1 H 1 7.517 0.030 . 1 . . . A 33 PHE HD1 . 25510 1 391 . 1 1 33 33 PHE HD2 H 1 7.517 0.030 . 1 . . . A 33 PHE HD2 . 25510 1 392 . 1 1 33 33 PHE HE1 H 1 7.079 0.005 . 1 . . . A 33 PHE HE1 . 25510 1 393 . 1 1 33 33 PHE HE2 H 1 7.079 0.005 . 1 . . . A 33 PHE HE2 . 25510 1 394 . 1 1 33 33 PHE CA C 13 57.498 0.160 . 1 . . . A 33 PHE CA . 25510 1 395 . 1 1 33 33 PHE CB C 13 40.543 0.057 . 1 . . . A 33 PHE CB . 25510 1 396 . 1 1 33 33 PHE CD1 C 13 132.763 0.125 . 1 . . . A 33 PHE CD1 . 25510 1 397 . 1 1 33 33 PHE CD2 C 13 132.763 0.125 . 1 . . . A 33 PHE CD2 . 25510 1 398 . 1 1 33 33 PHE CE1 C 13 130.670 0.063 . 1 . . . A 33 PHE CE1 . 25510 1 399 . 1 1 33 33 PHE CE2 C 13 130.670 0.063 . 1 . . . A 33 PHE CE2 . 25510 1 400 . 1 1 33 33 PHE N N 15 114.045 0.095 . 1 . . . A 33 PHE N . 25510 1 401 . 1 1 34 34 GLN H H 1 7.968 0.021 . 1 . . . A 34 GLN H . 25510 1 402 . 1 1 34 34 GLN HA H 1 4.270 0.010 . 1 . . . A 34 GLN HA . 25510 1 403 . 1 1 34 34 GLN HB2 H 1 2.107 0.030 . 2 . . . A 34 GLN HB2 . 25510 1 404 . 1 1 34 34 GLN HG2 H 1 2.276 0.030 . 2 . . . A 34 GLN HG2 . 25510 1 405 . 1 1 34 34 GLN C C 13 174.516 0.000 . 1 . . . A 34 GLN C . 25510 1 406 . 1 1 34 34 GLN CA C 13 56.154 0.082 . 1 . . . A 34 GLN CA . 25510 1 407 . 1 1 34 34 GLN CB C 13 26.321 0.150 . 1 . . . A 34 GLN CB . 25510 1 408 . 1 1 34 34 GLN CG C 13 34.112 0.056 . 1 . . . A 34 GLN CG . 25510 1 409 . 1 1 35 35 ILE H H 1 7.455 0.008 . 1 . . . A 35 ILE H . 25510 1 410 . 1 1 35 35 ILE HA H 1 4.371 0.014 . 1 . . . A 35 ILE HA . 25510 1 411 . 1 1 35 35 ILE HB H 1 1.450 0.028 . 1 . . . A 35 ILE HB . 25510 1 412 . 1 1 35 35 ILE HG13 H 1 1.060 0.013 . 2 . . . A 35 ILE HG13 . 25510 1 413 . 1 1 35 35 ILE HG21 H 1 0.812 0.024 . 1 . . . A 35 ILE HG21 . 25510 1 414 . 1 1 35 35 ILE HG22 H 1 0.812 0.024 . 1 . . . A 35 ILE HG22 . 25510 1 415 . 1 1 35 35 ILE HG23 H 1 0.812 0.024 . 1 . . . A 35 ILE HG23 . 25510 1 416 . 1 1 35 35 ILE HD11 H 1 0.586 0.024 . 1 . . . A 35 ILE HD11 . 25510 1 417 . 1 1 35 35 ILE HD12 H 1 0.586 0.024 . 1 . . . A 35 ILE HD12 . 25510 1 418 . 1 1 35 35 ILE HD13 H 1 0.586 0.024 . 1 . . . A 35 ILE HD13 . 25510 1 419 . 1 1 35 35 ILE C C 13 173.592 0.000 . 1 . . . A 35 ILE C . 25510 1 420 . 1 1 35 35 ILE CA C 13 59.410 0.073 . 1 . . . A 35 ILE CA . 25510 1 421 . 1 1 35 35 ILE CB C 13 41.757 0.074 . 1 . . . A 35 ILE CB . 25510 1 422 . 1 1 35 35 ILE CG1 C 13 27.141 0.031 . 1 . . . A 35 ILE CG1 . 25510 1 423 . 1 1 35 35 ILE CG2 C 13 17.144 0.029 . 1 . . . A 35 ILE CG2 . 25510 1 424 . 1 1 35 35 ILE CD1 C 13 14.577 0.032 . 1 . . . A 35 ILE CD1 . 25510 1 425 . 1 1 35 35 ILE N N 15 119.653 0.056 . 1 . . . A 35 ILE N . 25510 1 426 . 1 1 36 36 ALA H H 1 8.238 0.015 . 1 . . . A 36 ALA H . 25510 1 427 . 1 1 36 36 ALA HA H 1 4.268 0.011 . 1 . . . A 36 ALA HA . 25510 1 428 . 1 1 36 36 ALA HB1 H 1 1.449 0.014 . 1 . . . A 36 ALA HB1 . 25510 1 429 . 1 1 36 36 ALA HB2 H 1 1.449 0.014 . 1 . . . A 36 ALA HB2 . 25510 1 430 . 1 1 36 36 ALA HB3 H 1 1.449 0.014 . 1 . . . A 36 ALA HB3 . 25510 1 431 . 1 1 36 36 ALA C C 13 178.784 0.000 . 1 . . . A 36 ALA C . 25510 1 432 . 1 1 36 36 ALA CA C 13 52.182 0.099 . 1 . . . A 36 ALA CA . 25510 1 433 . 1 1 36 36 ALA CB C 13 19.265 0.101 . 1 . . . A 36 ALA CB . 25510 1 434 . 1 1 36 36 ALA N N 15 126.668 0.119 . 1 . . . A 36 ALA N . 25510 1 435 . 1 1 37 37 ARG H H 1 8.820 0.024 . 1 . . . A 37 ARG H . 25510 1 436 . 1 1 37 37 ARG HA H 1 3.816 0.016 . 1 . . . A 37 ARG HA . 25510 1 437 . 1 1 37 37 ARG HB3 H 1 1.870 0.014 . 2 . . . A 37 ARG HB3 . 25510 1 438 . 1 1 37 37 ARG HG2 H 1 1.682 0.032 . 2 . . . A 37 ARG HG2 . 25510 1 439 . 1 1 37 37 ARG HD3 H 1 3.217 0.018 . 2 . . . A 37 ARG HD3 . 25510 1 440 . 1 1 37 37 ARG HE H 1 7.317 0.001 . 1 . . . A 37 ARG HE . 25510 1 441 . 1 1 37 37 ARG HH11 H 1 6.448 0.000 . 2 . . . A 37 ARG HH11 . 25510 1 442 . 1 1 37 37 ARG HH12 H 1 6.718 0.000 . 2 . . . A 37 ARG HH12 . 25510 1 443 . 1 1 37 37 ARG CA C 13 59.838 0.054 . 1 . . . A 37 ARG CA . 25510 1 444 . 1 1 37 37 ARG CB C 13 29.932 0.096 . 1 . . . A 37 ARG CB . 25510 1 445 . 1 1 37 37 ARG CG C 13 27.180 0.134 . 1 . . . A 37 ARG CG . 25510 1 446 . 1 1 37 37 ARG CD C 13 43.486 0.064 . 1 . . . A 37 ARG CD . 25510 1 447 . 1 1 37 37 ARG N N 15 123.068 0.080 . 1 . . . A 37 ARG N . 25510 1 448 . 1 1 38 38 SER H H 1 8.517 0.019 . 1 . . . A 38 SER H . 25510 1 449 . 1 1 38 38 SER HA H 1 4.178 0.035 . 1 . . . A 38 SER HA . 25510 1 450 . 1 1 38 38 SER HB2 H 1 3.920 0.029 . 2 . . . A 38 SER HB2 . 25510 1 451 . 1 1 38 38 SER C C 13 178.315 0.000 . 1 . . . A 38 SER C . 25510 1 452 . 1 1 38 38 SER CA C 13 60.772 0.109 . 1 . . . A 38 SER CA . 25510 1 453 . 1 1 38 38 SER CB C 13 62.061 0.083 . 1 . . . A 38 SER CB . 25510 1 454 . 1 1 38 38 SER N N 15 112.348 0.051 . 1 . . . A 38 SER N . 25510 1 455 . 1 1 39 39 THR H H 1 7.231 0.011 . 1 . . . A 39 THR H . 25510 1 456 . 1 1 39 39 THR HA H 1 4.025 0.039 . 1 . . . A 39 THR HA . 25510 1 457 . 1 1 39 39 THR HB H 1 4.029 0.044 . 1 . . . A 39 THR HB . 25510 1 458 . 1 1 39 39 THR HG21 H 1 0.846 0.009 . 1 . . . A 39 THR HG1 . 25510 1 459 . 1 1 39 39 THR HG22 H 1 0.846 0.009 . 1 . . . A 39 THR HG1 . 25510 1 460 . 1 1 39 39 THR HG23 H 1 0.846 0.009 . 1 . . . A 39 THR HG1 . 25510 1 461 . 1 1 39 39 THR C C 13 175.203 0.000 . 1 . . . A 39 THR C . 25510 1 462 . 1 1 39 39 THR CA C 13 64.904 0.044 . 1 . . . A 39 THR CA . 25510 1 463 . 1 1 39 39 THR CB C 13 68.726 0.086 . 1 . . . A 39 THR CB . 25510 1 464 . 1 1 39 39 THR CG2 C 13 21.662 0.061 . 1 . . . A 39 THR CG2 . 25510 1 465 . 1 1 39 39 THR N N 15 117.311 0.072 . 1 . . . A 39 THR N . 25510 1 466 . 1 1 40 40 LEU H H 1 7.552 0.007 . 1 . . . A 40 LEU H . 25510 1 467 . 1 1 40 40 LEU HA H 1 4.031 0.005 . 1 . . . A 40 LEU HA . 25510 1 468 . 1 1 40 40 LEU HB2 H 1 1.480 0.023 . 2 . . . A 40 LEU HB2 . 25510 1 469 . 1 1 40 40 LEU HB3 H 1 1.797 0.009 . 2 . . . A 40 LEU HB3 . 25510 1 470 . 1 1 40 40 LEU HD11 H 1 0.835 0.040 . 2 . . . A 40 LEU HD11 . 25510 1 471 . 1 1 40 40 LEU HD12 H 1 0.835 0.040 . 2 . . . A 40 LEU HD12 . 25510 1 472 . 1 1 40 40 LEU HD13 H 1 0.835 0.040 . 2 . . . A 40 LEU HD13 . 25510 1 473 . 1 1 40 40 LEU C C 13 177.743 0.000 . 1 . . . A 40 LEU C . 25510 1 474 . 1 1 40 40 LEU CA C 13 56.063 0.041 . 1 . . . A 40 LEU CA . 25510 1 475 . 1 1 40 40 LEU CB C 13 42.294 0.049 . 1 . . . A 40 LEU CB . 25510 1 476 . 1 1 40 40 LEU CG C 13 25.962 0.000 . 1 . . . A 40 LEU CG . 25510 1 477 . 1 1 40 40 LEU CD1 C 13 24.692 0.106 . 1 . . . A 40 LEU CD1 . 25510 1 478 . 1 1 40 40 LEU N N 15 118.713 0.060 . 1 . . . A 40 LEU N . 25510 1 479 . 1 1 41 41 ASP H H 1 8.153 0.019 . 1 . . . A 41 ASP H . 25510 1 480 . 1 1 41 41 ASP HA H 1 4.497 0.011 . 1 . . . A 41 ASP HA . 25510 1 481 . 1 1 41 41 ASP HB2 H 1 2.737 0.041 . 2 . . . A 41 ASP HB2 . 25510 1 482 . 1 1 41 41 ASP C C 13 177.111 0.000 . 1 . . . A 41 ASP C . 25510 1 483 . 1 1 41 41 ASP CA C 13 56.594 0.081 . 1 . . . A 41 ASP CA . 25510 1 484 . 1 1 41 41 ASP CB C 13 39.954 0.096 . 1 . . . A 41 ASP CB . 25510 1 485 . 1 1 41 41 ASP N N 15 119.468 0.098 . 1 . . . A 41 ASP N . 25510 1 486 . 1 1 42 42 VAL H H 1 7.293 0.021 . 1 . . . A 42 VAL H . 25510 1 487 . 1 1 42 42 VAL HA H 1 4.328 0.025 . 1 . . . A 42 VAL HA . 25510 1 488 . 1 1 42 42 VAL HB H 1 2.253 0.013 . 1 . . . A 42 VAL HB . 25510 1 489 . 1 1 42 42 VAL HG21 H 1 0.839 0.012 . 1 . . . A 42 VAL HG21 . 25510 1 490 . 1 1 42 42 VAL HG22 H 1 0.839 0.012 . 1 . . . A 42 VAL HG22 . 25510 1 491 . 1 1 42 42 VAL HG23 H 1 0.839 0.012 . 1 . . . A 42 VAL HG23 . 25510 1 492 . 1 1 42 42 VAL C C 13 175.994 0.000 . 1 . . . A 42 VAL C . 25510 1 493 . 1 1 42 42 VAL CA C 13 60.742 0.054 . 1 . . . A 42 VAL CA . 25510 1 494 . 1 1 42 42 VAL CB C 13 32.741 0.090 . 1 . . . A 42 VAL CB . 25510 1 495 . 1 1 42 42 VAL CG1 C 13 21.584 0.082 . 1 . . . A 42 VAL CG1 . 25510 1 496 . 1 1 42 42 VAL CG2 C 13 19.100 0.181 . 1 . . . A 42 VAL CG2 . 25510 1 497 . 1 1 42 42 VAL N N 15 111.960 0.074 . 1 . . . A 42 VAL N . 25510 1 498 . 1 1 43 43 ALA H H 1 7.626 0.017 . 1 . . . A 43 ALA H . 25510 1 499 . 1 1 43 43 ALA HA H 1 4.326 0.016 . 1 . . . A 43 ALA HA . 25510 1 500 . 1 1 43 43 ALA HB1 H 1 1.400 0.026 . 1 . . . A 43 ALA HB1 . 25510 1 501 . 1 1 43 43 ALA HB2 H 1 1.400 0.026 . 1 . . . A 43 ALA HB2 . 25510 1 502 . 1 1 43 43 ALA HB3 H 1 1.400 0.026 . 1 . . . A 43 ALA HB3 . 25510 1 503 . 1 1 43 43 ALA C C 13 177.972 0.000 . 1 . . . A 43 ALA C . 25510 1 504 . 1 1 43 43 ALA CA C 13 53.078 0.066 . 1 . . . A 43 ALA CA . 25510 1 505 . 1 1 43 43 ALA CB C 13 19.451 0.069 . 1 . . . A 43 ALA CB . 25510 1 506 . 1 1 43 43 ALA N N 15 124.575 0.095 . 1 . . . A 43 ALA N . 25510 1 507 . 1 1 44 44 ASP H H 1 8.002 0.016 . 1 . . . A 44 ASP H . 25510 1 508 . 1 1 44 44 ASP HA H 1 4.060 0.010 . 1 . . . A 44 ASP HA . 25510 1 509 . 1 1 44 44 ASP HB2 H 1 2.195 0.012 . 2 . . . A 44 ASP HB2 . 25510 1 510 . 1 1 44 44 ASP C C 13 179.346 0.000 . 1 . . . A 44 ASP C . 25510 1 511 . 1 1 44 44 ASP CA C 13 58.324 0.060 . 1 . . . A 44 ASP CA . 25510 1 512 . 1 1 44 44 ASP CB C 13 31.932 0.064 . 1 . . . A 44 ASP CB . 25510 1 513 . 1 1 44 44 ASP N N 15 119.810 0.180 . 1 . . . A 44 ASP N . 25510 1 514 . 1 1 45 45 ARG H H 1 8.611 0.013 . 1 . . . A 45 ARG H . 25510 1 515 . 1 1 45 45 ARG HA H 1 3.769 0.009 . 1 . . . A 45 ARG HA . 25510 1 516 . 1 1 45 45 ARG HB2 H 1 1.880 0.033 . 2 . . . A 45 ARG HB2 . 25510 1 517 . 1 1 45 45 ARG HB3 H 1 2.086 0.014 . 2 . . . A 45 ARG HB3 . 25510 1 518 . 1 1 45 45 ARG HG2 H 1 1.663 0.037 . 2 . . . A 45 ARG HG2 . 25510 1 519 . 1 1 45 45 ARG HG3 H 1 1.474 0.028 . 2 . . . A 45 ARG HG3 . 25510 1 520 . 1 1 45 45 ARG HD3 H 1 2.967 0.003 . 2 . . . A 45 ARG HD3 . 25510 1 521 . 1 1 45 45 ARG HE H 1 6.711 0.000 . 1 . . . A 45 ARG HE . 25510 1 522 . 1 1 45 45 ARG C C 13 177.492 0.000 . 1 . . . A 45 ARG C . 25510 1 523 . 1 1 45 45 ARG CA C 13 60.809 0.072 . 1 . . . A 45 ARG CA . 25510 1 524 . 1 1 45 45 ARG CB C 13 33.014 0.106 . 1 . . . A 45 ARG CB . 25510 1 525 . 1 1 45 45 ARG CG C 13 25.279 0.150 . 1 . . . A 45 ARG CG . 25510 1 526 . 1 1 45 45 ARG CD C 13 42.076 0.008 . 1 . . . A 45 ARG CD . 25510 1 527 . 1 1 45 45 ARG N N 15 123.564 0.083 . 1 . . . A 45 ARG N . 25510 1 528 . 1 1 46 46 THR H H 1 8.182 0.018 . 1 . . . A 46 THR H . 25510 1 529 . 1 1 46 46 THR HA H 1 4.051 0.028 . 1 . . . A 46 THR HA . 25510 1 530 . 1 1 46 46 THR HB H 1 1.677 0.022 . 1 . . . A 46 THR HB . 25510 1 531 . 1 1 46 46 THR HG1 H 1 1.944 0.019 . 1 . . . A 46 THR HG1 . 25510 1 532 . 1 1 46 46 THR HG21 H 1 1.857 0.013 . 1 . . . A 46 THR HG21 . 25510 1 533 . 1 1 46 46 THR HG22 H 1 1.857 0.013 . 1 . . . A 46 THR HG22 . 25510 1 534 . 1 1 46 46 THR HG23 H 1 1.857 0.013 . 1 . . . A 46 THR HG23 . 25510 1 535 . 1 1 46 46 THR C C 13 179.947 0.000 . 1 . . . A 46 THR C . 25510 1 536 . 1 1 46 46 THR CA C 13 59.605 0.066 . 1 . . . A 46 THR CA . 25510 1 537 . 1 1 46 46 THR CB C 13 32.375 0.041 . 1 . . . A 46 THR CB . 25510 1 538 . 1 1 46 46 THR CG2 C 13 25.390 0.000 . 1 . . . A 46 THR CG2 . 25510 1 539 . 1 1 46 46 THR N N 15 118.315 0.145 . 1 . . . A 46 THR N . 25510 1 540 . 1 1 47 47 GLU H H 1 8.117 0.023 . 1 . . . A 47 GLU H . 25510 1 541 . 1 1 47 47 GLU HA H 1 4.022 0.025 . 1 . . . A 47 GLU HA . 25510 1 542 . 1 1 47 47 GLU HB3 H 1 1.827 0.004 . 1 . . . A 47 GLU HB3 . 25510 1 543 . 1 1 47 47 GLU HG2 H 1 2.034 0.017 . 2 . . . A 47 GLU HG2 . 25510 1 544 . 1 1 47 47 GLU C C 13 179.758 0.000 . 1 . . . A 47 GLU C . 25510 1 545 . 1 1 47 47 GLU CB C 13 29.199 0.047 . 1 . . . A 47 GLU CB . 25510 1 546 . 1 1 47 47 GLU N N 15 118.691 0.165 . 1 . . . A 47 GLU N . 25510 1 547 . 1 1 48 48 LEU H H 1 8.355 0.034 . 1 . . . A 48 LEU H . 25510 1 548 . 1 1 48 48 LEU HA H 1 3.759 0.029 . 1 . . . A 48 LEU HA . 25510 1 549 . 1 1 48 48 LEU HB2 H 1 1.419 0.024 . 2 . . . A 48 LEU HB2 . 25510 1 550 . 1 1 48 48 LEU HG H 1 2.026 0.028 . 1 . . . A 48 LEU HG . 25510 1 551 . 1 1 48 48 LEU HD11 H 1 0.861 0.029 . 1 . . . A 48 LEU HD11 . 25510 1 552 . 1 1 48 48 LEU HD12 H 1 0.861 0.029 . 1 . . . A 48 LEU HD12 . 25510 1 553 . 1 1 48 48 LEU HD13 H 1 0.861 0.029 . 1 . . . A 48 LEU HD13 . 25510 1 554 . 1 1 48 48 LEU C C 13 177.474 0.000 . 1 . . . A 48 LEU C . 25510 1 555 . 1 1 48 48 LEU CA C 13 58.574 0.024 . 1 . . . A 48 LEU CA . 25510 1 556 . 1 1 48 48 LEU CB C 13 41.602 0.057 . 1 . . . A 48 LEU CB . 25510 1 557 . 1 1 48 48 LEU CG C 13 27.879 0.124 . 1 . . . A 48 LEU CG . 25510 1 558 . 1 1 48 48 LEU CD2 C 13 24.727 0.000 . 1 . . . A 48 LEU CD2 . 25510 1 559 . 1 1 48 48 LEU N N 15 120.020 0.125 . 1 . . . A 48 LEU N . 25510 1 560 . 1 1 49 49 ALA H H 1 8.224 0.015 . 1 . . . A 49 ALA H . 25510 1 561 . 1 1 49 49 ALA HA H 1 3.689 0.029 . 1 . . . A 49 ALA HA . 25510 1 562 . 1 1 49 49 ALA HB1 H 1 1.420 0.025 . 1 . . . A 49 ALA HB1 . 25510 1 563 . 1 1 49 49 ALA HB2 H 1 1.420 0.025 . 1 . . . A 49 ALA HB2 . 25510 1 564 . 1 1 49 49 ALA HB3 H 1 1.420 0.025 . 1 . . . A 49 ALA HB3 . 25510 1 565 . 1 1 49 49 ALA C C 13 178.552 0.000 . 1 . . . A 49 ALA C . 25510 1 566 . 1 1 49 49 ALA CA C 13 56.129 0.045 . 1 . . . A 49 ALA CA . 25510 1 567 . 1 1 49 49 ALA CB C 13 17.636 0.093 . 1 . . . A 49 ALA CB . 25510 1 568 . 1 1 49 49 ALA N N 15 120.164 0.150 . 1 . . . A 49 ALA N . 25510 1 569 . 1 1 50 50 ASP H H 1 8.041 0.014 . 1 . . . A 50 ASP H . 25510 1 570 . 1 1 50 50 ASP HA H 1 4.418 0.022 . 1 . . . A 50 ASP HA . 25510 1 571 . 1 1 50 50 ASP HB2 H 1 2.588 0.027 . 2 . . . A 50 ASP HB2 . 25510 1 572 . 1 1 50 50 ASP HB3 H 1 2.705 0.010 . 2 . . . A 50 ASP HB3 . 25510 1 573 . 1 1 50 50 ASP C C 13 179.108 0.000 . 1 . . . A 50 ASP C . 25510 1 574 . 1 1 50 50 ASP CA C 13 57.921 0.108 . 1 . . . A 50 ASP CA . 25510 1 575 . 1 1 50 50 ASP CB C 13 39.763 0.064 . 1 . . . A 50 ASP CB . 25510 1 576 . 1 1 50 50 ASP N N 15 115.824 0.097 . 1 . . . A 50 ASP N . 25510 1 577 . 1 1 51 51 HIS H H 1 8.541 0.026 . 1 . . . A 51 HIS H . 25510 1 578 . 1 1 51 51 HIS HA H 1 4.465 0.029 . 1 . . . A 51 HIS HA . 25510 1 579 . 1 1 51 51 HIS HB2 H 1 3.216 0.019 . 1 . . . A 51 HIS HB2 . 25510 1 580 . 1 1 51 51 HIS HB3 H 1 3.000 0.029 . 1 . . . A 51 HIS HB3 . 25510 1 581 . 1 1 51 51 HIS CA C 13 58.490 0.090 . 1 . . . A 51 HIS CA . 25510 1 582 . 1 1 51 51 HIS CB C 13 28.065 0.078 . 1 . . . A 51 HIS CB . 25510 1 583 . 1 1 51 51 HIS N N 15 117.866 0.147 . 1 . . . A 51 HIS N . 25510 1 584 . 1 1 52 52 LEU H H 1 8.529 0.021 . 1 . . . A 52 LEU H . 25510 1 585 . 1 1 52 52 LEU HA H 1 3.626 0.011 . 1 . . . A 52 LEU HA . 25510 1 586 . 1 1 52 52 LEU HB2 H 1 1.809 0.022 . 1 . . . A 52 LEU HB2 . 25510 1 587 . 1 1 52 52 LEU HB3 H 1 1.112 0.030 . 1 . . . A 52 LEU HB3 . 25510 1 588 . 1 1 52 52 LEU HG H 1 0.619 0.012 . 1 . . . A 52 LEU HG . 25510 1 589 . 1 1 52 52 LEU HD21 H 1 -0.393 0.007 . 1 . . . A 52 LEU HD21 . 25510 1 590 . 1 1 52 52 LEU HD22 H 1 -0.393 0.007 . 1 . . . A 52 LEU HD22 . 25510 1 591 . 1 1 52 52 LEU HD23 H 1 -0.393 0.007 . 1 . . . A 52 LEU HD23 . 25510 1 592 . 1 1 52 52 LEU C C 13 178.488 0.000 . 1 . . . A 52 LEU C . 25510 1 593 . 1 1 52 52 LEU CA C 13 58.380 0.048 . 1 . . . A 52 LEU CA . 25510 1 594 . 1 1 52 52 LEU CB C 13 39.431 0.051 . 1 . . . A 52 LEU CB . 25510 1 595 . 1 1 52 52 LEU CG C 13 24.696 0.113 . 1 . . . A 52 LEU CG . 25510 1 596 . 1 1 52 52 LEU CD2 C 13 19.144 0.028 . 1 . . . A 52 LEU CD2 . 25510 1 597 . 1 1 52 52 LEU N N 15 120.279 0.146 . 1 . . . A 52 LEU N . 25510 1 598 . 1 1 53 53 ILE H H 1 8.069 0.020 . 1 . . . A 53 ILE H . 25510 1 599 . 1 1 53 53 ILE HA H 1 3.439 0.025 . 1 . . . A 53 ILE HA . 25510 1 600 . 1 1 53 53 ILE HB H 1 1.993 0.010 . 1 . . . A 53 ILE HB . 25510 1 601 . 1 1 53 53 ILE HG12 H 1 0.871 0.020 . 2 . . . A 53 ILE HG12 . 25510 1 602 . 1 1 53 53 ILE HG13 H 1 1.800 0.016 . 2 . . . A 53 ILE HG13 . 25510 1 603 . 1 1 53 53 ILE C C 13 178.798 0.000 . 1 . . . A 53 ILE C . 25510 1 604 . 1 1 53 53 ILE CA C 13 64.985 0.043 . 1 . . . A 53 ILE CA . 25510 1 605 . 1 1 53 53 ILE CB C 13 37.653 0.071 . 1 . . . A 53 ILE CB . 25510 1 606 . 1 1 53 53 ILE CG1 C 13 16.597 0.048 . 1 . . . A 53 ILE CG1 . 25510 1 607 . 1 1 53 53 ILE N N 15 119.478 0.101 . 1 . . . A 53 ILE N . 25510 1 608 . 1 1 54 54 GLN H H 1 8.382 0.018 . 1 . . . A 54 GLN H . 25510 1 609 . 1 1 54 54 GLN HA H 1 4.020 0.012 . 1 . . . A 54 GLN HA . 25510 1 610 . 1 1 54 54 GLN HB2 H 1 2.128 0.014 . 2 . . . A 54 GLN HB2 . 25510 1 611 . 1 1 54 54 GLN HG2 H 1 2.527 0.038 . 2 . . . A 54 GLN HG2 . 25510 1 612 . 1 1 54 54 GLN HG3 H 1 2.422 0.025 . 2 . . . A 54 GLN HG3 . 25510 1 613 . 1 1 54 54 GLN HE21 H 1 7.485 0.000 . 2 . . . A 54 GLN HE21 . 25510 1 614 . 1 1 54 54 GLN C C 13 177.668 0.000 . 1 . . . A 54 GLN C . 25510 1 615 . 1 1 54 54 GLN CA C 13 58.660 0.157 . 1 . . . A 54 GLN CA . 25510 1 616 . 1 1 54 54 GLN CB C 13 28.489 0.070 . 1 . . . A 54 GLN CB . 25510 1 617 . 1 1 54 54 GLN CG C 13 33.915 0.057 . 1 . . . A 54 GLN CG . 25510 1 618 . 1 1 54 54 GLN N N 15 119.904 0.168 . 1 . . . A 54 GLN N . 25510 1 619 . 1 1 55 55 SER H H 1 7.623 0.007 . 1 . . . A 55 SER H . 25510 1 620 . 1 1 55 55 SER HA H 1 4.353 0.004 . 1 . . . A 55 SER HA . 25510 1 621 . 1 1 55 55 SER HB2 H 1 4.094 0.004 . 2 . . . A 55 SER HB2 . 25510 1 622 . 1 1 55 55 SER C C 13 175.910 0.000 . 1 . . . A 55 SER C . 25510 1 623 . 1 1 55 55 SER CA C 13 61.019 0.095 . 1 . . . A 55 SER CA . 25510 1 624 . 1 1 55 55 SER CB C 13 63.997 0.076 . 1 . . . A 55 SER CB . 25510 1 625 . 1 1 55 55 SER N N 15 110.647 0.074 . 1 . . . A 55 SER N . 25510 1 626 . 1 1 56 56 ALA H H 1 7.908 0.015 . 1 . . . A 56 ALA H . 25510 1 627 . 1 1 56 56 ALA HA H 1 4.725 0.027 . 1 . . . A 56 ALA HA . 25510 1 628 . 1 1 56 56 ALA HB1 H 1 1.542 0.012 . 1 . . . A 56 ALA HB1 . 25510 1 629 . 1 1 56 56 ALA HB2 H 1 1.542 0.012 . 1 . . . A 56 ALA HB2 . 25510 1 630 . 1 1 56 56 ALA HB3 H 1 1.542 0.012 . 1 . . . A 56 ALA HB3 . 25510 1 631 . 1 1 56 56 ALA C C 13 178.537 0.000 . 1 . . . A 56 ALA C . 25510 1 632 . 1 1 56 56 ALA CA C 13 52.712 0.042 . 1 . . . A 56 ALA CA . 25510 1 633 . 1 1 56 56 ALA CB C 13 21.762 0.054 . 1 . . . A 56 ALA CB . 25510 1 634 . 1 1 56 56 ALA N N 15 118.590 0.105 . 1 . . . A 56 ALA N . 25510 1 635 . 1 1 57 57 GLY H H 1 7.996 0.007 . 1 . . . A 57 GLY H . 25510 1 636 . 1 1 57 57 GLY HA2 H 1 3.850 0.023 . 2 . . . A 57 GLY HA2 . 25510 1 637 . 1 1 57 57 GLY HA3 H 1 4.640 0.005 . 2 . . . A 57 GLY HA3 . 25510 1 638 . 1 1 57 57 GLY C C 13 174.410 0.000 . 1 . . . A 57 GLY C . 25510 1 639 . 1 1 57 57 GLY CA C 13 44.231 0.020 . 1 . . . A 57 GLY CA . 25510 1 640 . 1 1 57 57 GLY N N 15 109.060 0.095 . 1 . . . A 57 GLY N . 25510 1 641 . 1 1 58 58 ALA H H 1 8.710 0.013 . 1 . . . A 58 ALA H . 25510 1 642 . 1 1 58 58 ALA HA H 1 4.006 0.013 . 1 . . . A 58 ALA HA . 25510 1 643 . 1 1 58 58 ALA HB1 H 1 1.575 0.015 . 1 . . . A 58 ALA HB1 . 25510 1 644 . 1 1 58 58 ALA HB2 H 1 1.575 0.015 . 1 . . . A 58 ALA HB2 . 25510 1 645 . 1 1 58 58 ALA HB3 H 1 1.575 0.015 . 1 . . . A 58 ALA HB3 . 25510 1 646 . 1 1 58 58 ALA C C 13 177.285 0.000 . 1 . . . A 58 ALA C . 25510 1 647 . 1 1 58 58 ALA CA C 13 57.081 0.061 . 1 . . . A 58 ALA CA . 25510 1 648 . 1 1 58 58 ALA CB C 13 19.206 0.071 . 1 . . . A 58 ALA CB . 25510 1 649 . 1 1 58 58 ALA N N 15 123.460 0.075 . 1 . . . A 58 ALA N . 25510 1 650 . 1 1 59 59 ALA H H 1 8.272 0.017 . 1 . . . A 59 ALA H . 25510 1 651 . 1 1 59 59 ALA HA H 1 2.947 0.013 . 1 . . . A 59 ALA HA . 25510 1 652 . 1 1 59 59 ALA HB1 H 1 1.154 0.023 . 1 . . . A 59 ALA HB1 . 25510 1 653 . 1 1 59 59 ALA HB2 H 1 1.154 0.023 . 1 . . . A 59 ALA HB2 . 25510 1 654 . 1 1 59 59 ALA HB3 H 1 1.154 0.023 . 1 . . . A 59 ALA HB3 . 25510 1 655 . 1 1 59 59 ALA C C 13 181.017 0.000 . 1 . . . A 59 ALA C . 25510 1 656 . 1 1 59 59 ALA CA C 13 55.393 0.073 . 1 . . . A 59 ALA CA . 25510 1 657 . 1 1 59 59 ALA CB C 13 18.030 0.040 . 1 . . . A 59 ALA CB . 25510 1 658 . 1 1 59 59 ALA N N 15 118.918 0.156 . 1 . . . A 59 ALA N . 25510 1 659 . 1 1 60 60 SER H H 1 8.218 0.013 . 1 . . . A 60 SER H . 25510 1 660 . 1 1 60 60 SER HA H 1 4.130 0.026 . 1 . . . A 60 SER HA . 25510 1 661 . 1 1 60 60 SER HB2 H 1 3.687 0.008 . 2 . . . A 60 SER HB2 . 25510 1 662 . 1 1 60 60 SER HB3 H 1 3.880 0.005 . 2 . . . A 60 SER HB3 . 25510 1 663 . 1 1 60 60 SER C C 13 176.246 0.000 . 1 . . . A 60 SER C . 25510 1 664 . 1 1 60 60 SER CA C 13 60.601 0.127 . 1 . . . A 60 SER CA . 25510 1 665 . 1 1 60 60 SER CB C 13 62.796 0.064 . 1 . . . A 60 SER CB . 25510 1 666 . 1 1 60 60 SER N N 15 112.905 0.062 . 1 . . . A 60 SER N . 25510 1 667 . 1 1 61 61 ALA H H 1 8.583 0.015 . 1 . . . A 61 ALA H . 25510 1 668 . 1 1 61 61 ALA HA H 1 4.156 0.009 . 1 . . . A 61 ALA HA . 25510 1 669 . 1 1 61 61 ALA HB1 H 1 1.568 0.008 . 1 . . . A 61 ALA HB1 . 25510 1 670 . 1 1 61 61 ALA HB2 H 1 1.568 0.008 . 1 . . . A 61 ALA HB2 . 25510 1 671 . 1 1 61 61 ALA HB3 H 1 1.568 0.008 . 1 . . . A 61 ALA HB3 . 25510 1 672 . 1 1 61 61 ALA C C 13 179.639 0.000 . 1 . . . A 61 ALA C . 25510 1 673 . 1 1 61 61 ALA CA C 13 55.655 0.026 . 1 . . . A 61 ALA CA . 25510 1 674 . 1 1 61 61 ALA CB C 13 18.550 0.075 . 1 . . . A 61 ALA CB . 25510 1 675 . 1 1 61 61 ALA N N 15 121.207 0.148 . 1 . . . A 61 ALA N . 25510 1 676 . 1 1 62 62 VAL H H 1 7.517 0.010 . 1 . . . A 62 VAL H . 25510 1 677 . 1 1 62 62 VAL HA H 1 3.673 0.004 . 1 . . . A 62 VAL HA . 25510 1 678 . 1 1 62 62 VAL HB H 1 2.145 0.020 . 1 . . . A 62 VAL HB . 25510 1 679 . 1 1 62 62 VAL HG11 H 1 1.286 0.017 . 1 . . . A 62 VAL HG11 . 25510 1 680 . 1 1 62 62 VAL HG12 H 1 1.286 0.017 . 1 . . . A 62 VAL HG12 . 25510 1 681 . 1 1 62 62 VAL HG13 H 1 1.286 0.017 . 1 . . . A 62 VAL HG13 . 25510 1 682 . 1 1 62 62 VAL HG21 H 1 1.055 0.010 . 1 . . . A 62 VAL HG21 . 25510 1 683 . 1 1 62 62 VAL HG22 H 1 1.055 0.010 . 1 . . . A 62 VAL HG22 . 25510 1 684 . 1 1 62 62 VAL HG23 H 1 1.055 0.010 . 1 . . . A 62 VAL HG23 . 25510 1 685 . 1 1 62 62 VAL C C 13 177.567 0.000 . 1 . . . A 62 VAL C . 25510 1 686 . 1 1 62 62 VAL CA C 13 67.903 0.044 . 1 . . . A 62 VAL CA . 25510 1 687 . 1 1 62 62 VAL CB C 13 31.553 0.150 . 1 . . . A 62 VAL CB . 25510 1 688 . 1 1 62 62 VAL CG1 C 13 25.142 0.042 . 1 . . . A 62 VAL CG1 . 25510 1 689 . 1 1 62 62 VAL CG2 C 13 22.437 0.070 . 1 . . . A 62 VAL CG2 . 25510 1 690 . 1 1 62 62 VAL N N 15 116.024 0.060 . 1 . . . A 62 VAL N . 25510 1 691 . 1 1 63 63 THR H H 1 8.007 0.012 . 1 . . . A 63 THR H . 25510 1 692 . 1 1 63 63 THR HA H 1 4.318 0.026 . 1 . . . A 63 THR HA . 25510 1 693 . 1 1 63 63 THR HB H 1 3.780 0.002 . 1 . . . A 63 THR HB . 25510 1 694 . 1 1 63 63 THR HG21 H 1 1.205 0.013 . 1 . . . A 63 THR HG1 . 25510 1 695 . 1 1 63 63 THR HG22 H 1 1.205 0.013 . 1 . . . A 63 THR HG1 . 25510 1 696 . 1 1 63 63 THR HG23 H 1 1.205 0.013 . 1 . . . A 63 THR HG1 . 25510 1 697 . 1 1 63 63 THR C C 13 176.800 0.000 . 1 . . . A 63 THR C . 25510 1 698 . 1 1 63 63 THR CA C 13 68.590 0.128 . 1 . . . A 63 THR CA . 25510 1 699 . 1 1 63 63 THR CB C 13 67.818 0.069 . 1 . . . A 63 THR CB . 25510 1 700 . 1 1 63 63 THR CG2 C 13 21.788 0.124 . 1 . . . A 63 THR CG2 . 25510 1 701 . 1 1 63 63 THR N N 15 117.797 0.125 . 1 . . . A 63 THR N . 25510 1 702 . 1 1 64 64 LYS H H 1 8.771 0.015 . 1 . . . A 64 LYS H . 25510 1 703 . 1 1 64 64 LYS HA H 1 3.897 0.008 . 1 . . . A 64 LYS HA . 25510 1 704 . 1 1 64 64 LYS HB2 H 1 1.582 0.017 . 1 . . . A 64 LYS HB2 . 25510 1 705 . 1 1 64 64 LYS HB3 H 1 1.106 0.023 . 1 . . . A 64 LYS HB3 . 25510 1 706 . 1 1 64 64 LYS HG2 H 1 0.911 0.025 . 1 . . . A 64 LYS HG2 . 25510 1 707 . 1 1 64 64 LYS HD2 H 1 1.367 0.016 . 2 . . . A 64 LYS HD2 . 25510 1 708 . 1 1 64 64 LYS HZ1 H 1 7.030 0.008 . 1 . . . A 64 LYS HZ1 . 25510 1 709 . 1 1 64 64 LYS HZ2 H 1 7.030 0.008 . 1 . . . A 64 LYS HZ2 . 25510 1 710 . 1 1 64 64 LYS HZ3 H 1 7.030 0.008 . 1 . . . A 64 LYS HZ3 . 25510 1 711 . 1 1 64 64 LYS C C 13 178.721 0.000 . 1 . . . A 64 LYS C . 25510 1 712 . 1 1 64 64 LYS CA C 13 59.942 0.075 . 1 . . . A 64 LYS CA . 25510 1 713 . 1 1 64 64 LYS CB C 13 34.238 0.033 . 1 . . . A 64 LYS CB . 25510 1 714 . 1 1 64 64 LYS CG C 13 26.136 0.094 . 1 . . . A 64 LYS CG . 25510 1 715 . 1 1 64 64 LYS N N 15 121.300 0.278 . 1 . . . A 64 LYS N . 25510 1 716 . 1 1 65 65 ALA H H 1 8.598 0.010 . 1 . . . A 65 ALA H . 25510 1 717 . 1 1 65 65 ALA HA H 1 4.052 0.017 . 1 . . . A 65 ALA HA . 25510 1 718 . 1 1 65 65 ALA HB1 H 1 1.679 0.009 . 1 . . . A 65 ALA HB1 . 25510 1 719 . 1 1 65 65 ALA HB2 H 1 1.679 0.009 . 1 . . . A 65 ALA HB2 . 25510 1 720 . 1 1 65 65 ALA HB3 H 1 1.679 0.009 . 1 . . . A 65 ALA HB3 . 25510 1 721 . 1 1 65 65 ALA C C 13 178.759 0.000 . 1 . . . A 65 ALA C . 25510 1 722 . 1 1 65 65 ALA CA C 13 56.050 0.039 . 1 . . . A 65 ALA CA . 25510 1 723 . 1 1 65 65 ALA CB C 13 18.244 0.030 . 1 . . . A 65 ALA CB . 25510 1 724 . 1 1 65 65 ALA N N 15 121.115 0.066 . 1 . . . A 65 ALA N . 25510 1 725 . 1 1 66 66 ILE H H 1 8.657 0.011 . 1 . . . A 66 ILE H . 25510 1 726 . 1 1 66 66 ILE HA H 1 3.649 0.019 . 1 . . . A 66 ILE HA . 25510 1 727 . 1 1 66 66 ILE HB H 1 1.692 0.043 . 1 . . . A 66 ILE HB . 25510 1 728 . 1 1 66 66 ILE HG12 H 1 1.099 0.020 . 1 . . . A 66 ILE HG12 . 25510 1 729 . 1 1 66 66 ILE HG13 H 1 2.124 0.041 . 1 . . . A 66 ILE HG13 . 25510 1 730 . 1 1 66 66 ILE HG21 H 1 0.999 0.021 . 1 . . . A 66 ILE HG21 . 25510 1 731 . 1 1 66 66 ILE HG22 H 1 0.999 0.021 . 1 . . . A 66 ILE HG22 . 25510 1 732 . 1 1 66 66 ILE HG23 H 1 0.999 0.021 . 1 . . . A 66 ILE HG23 . 25510 1 733 . 1 1 66 66 ILE HD11 H 1 0.881 0.005 . 1 . . . A 66 ILE HD11 . 25510 1 734 . 1 1 66 66 ILE HD12 H 1 0.881 0.005 . 1 . . . A 66 ILE HD12 . 25510 1 735 . 1 1 66 66 ILE HD13 H 1 0.881 0.005 . 1 . . . A 66 ILE HD13 . 25510 1 736 . 1 1 66 66 ILE C C 13 177.252 0.000 . 1 . . . A 66 ILE C . 25510 1 737 . 1 1 66 66 ILE CA C 13 67.959 0.092 . 1 . . . A 66 ILE CA . 25510 1 738 . 1 1 66 66 ILE CB C 13 38.049 0.061 . 1 . . . A 66 ILE CB . 25510 1 739 . 1 1 66 66 ILE CG1 C 13 31.738 0.131 . 1 . . . A 66 ILE CG1 . 25510 1 740 . 1 1 66 66 ILE CG2 C 13 17.651 0.028 . 1 . . . A 66 ILE CG2 . 25510 1 741 . 1 1 66 66 ILE CD1 C 13 15.042 0.111 . 1 . . . A 66 ILE CD1 . 25510 1 742 . 1 1 66 66 ILE N N 15 118.735 0.057 . 1 . . . A 66 ILE N . 25510 1 743 . 1 1 67 67 ASN H H 1 7.525 0.009 . 1 . . . A 67 ASN H . 25510 1 744 . 1 1 67 67 ASN HA H 1 4.407 0.049 . 1 . . . A 67 ASN HA . 25510 1 745 . 1 1 67 67 ASN HB2 H 1 2.941 0.011 . 2 . . . A 67 ASN HB2 . 25510 1 746 . 1 1 67 67 ASN HB3 H 1 2.820 0.014 . 2 . . . A 67 ASN HB3 . 25510 1 747 . 1 1 67 67 ASN C C 13 178.095 0.000 . 1 . . . A 67 ASN C . 25510 1 748 . 1 1 67 67 ASN CA C 13 56.569 0.085 . 1 . . . A 67 ASN CA . 25510 1 749 . 1 1 67 67 ASN CB C 13 38.381 0.072 . 1 . . . A 67 ASN CB . 25510 1 750 . 1 1 67 67 ASN N N 15 117.463 0.086 . 1 . . . A 67 ASN N . 25510 1 751 . 1 1 68 68 ILE H H 1 8.170 0.012 . 1 . . . A 68 ILE H . 25510 1 752 . 1 1 68 68 ILE HA H 1 3.246 0.012 . 1 . . . A 68 ILE HA . 25510 1 753 . 1 1 68 68 ILE HB H 1 2.829 0.037 . 1 . . . A 68 ILE HB . 25510 1 754 . 1 1 68 68 ILE HG12 H 1 1.794 0.029 . 1 . . . A 68 ILE HG12 . 25510 1 755 . 1 1 68 68 ILE HG13 H 1 1.562 0.005 . 1 . . . A 68 ILE HG13 . 25510 1 756 . 1 1 68 68 ILE HG21 H 1 0.355 0.016 . 1 . . . A 68 ILE HG21 . 25510 1 757 . 1 1 68 68 ILE HG22 H 1 0.355 0.016 . 1 . . . A 68 ILE HG22 . 25510 1 758 . 1 1 68 68 ILE HG23 H 1 0.355 0.016 . 1 . . . A 68 ILE HG23 . 25510 1 759 . 1 1 68 68 ILE HD11 H 1 0.371 0.021 . 1 . . . A 68 ILE HD11 . 25510 1 760 . 1 1 68 68 ILE HD12 H 1 0.371 0.021 . 1 . . . A 68 ILE HD12 . 25510 1 761 . 1 1 68 68 ILE HD13 H 1 0.371 0.021 . 1 . . . A 68 ILE HD13 . 25510 1 762 . 1 1 68 68 ILE C C 13 177.540 0.000 . 1 . . . A 68 ILE C . 25510 1 763 . 1 1 68 68 ILE CA C 13 66.216 0.044 . 1 . . . A 68 ILE CA . 25510 1 764 . 1 1 68 68 ILE CB C 13 37.416 0.056 . 1 . . . A 68 ILE CB . 25510 1 765 . 1 1 68 68 ILE CG1 C 13 28.784 0.089 . 1 . . . A 68 ILE CG1 . 25510 1 766 . 1 1 68 68 ILE CG2 C 13 19.155 0.041 . 1 . . . A 68 ILE CG2 . 25510 1 767 . 1 1 68 68 ILE CD1 C 13 13.700 0.120 . 1 . . . A 68 ILE CD1 . 25510 1 768 . 1 1 68 68 ILE N N 15 120.886 0.089 . 1 . . . A 68 ILE N . 25510 1 769 . 1 1 69 69 PHE H H 1 8.963 0.010 . 1 . . . A 69 PHE H . 25510 1 770 . 1 1 69 69 PHE HA H 1 4.398 0.037 . 1 . . . A 69 PHE HA . 25510 1 771 . 1 1 69 69 PHE HB2 H 1 3.447 0.028 . 1 . . . A 69 PHE HB2 . 25510 1 772 . 1 1 69 69 PHE HB3 H 1 3.128 0.007 . 1 . . . A 69 PHE HB3 . 25510 1 773 . 1 1 69 69 PHE HD1 H 1 7.319 0.042 . 1 . . . A 69 PHE HD1 . 25510 1 774 . 1 1 69 69 PHE HD2 H 1 7.319 0.042 . 1 . . . A 69 PHE HD2 . 25510 1 775 . 1 1 69 69 PHE HE1 H 1 7.079 0.025 . 1 . . . A 69 PHE HE1 . 25510 1 776 . 1 1 69 69 PHE HE2 H 1 7.079 0.025 . 1 . . . A 69 PHE HE2 . 25510 1 777 . 1 1 69 69 PHE C C 13 178.279 0.000 . 1 . . . A 69 PHE C . 25510 1 778 . 1 1 69 69 PHE CA C 13 62.837 0.091 . 1 . . . A 69 PHE CA . 25510 1 779 . 1 1 69 69 PHE CB C 13 37.994 0.090 . 1 . . . A 69 PHE CB . 25510 1 780 . 1 1 69 69 PHE CE1 C 13 130.750 0.005 . 1 . . . A 69 PHE CE1 . 25510 1 781 . 1 1 69 69 PHE CE2 C 13 130.750 0.005 . 1 . . . A 69 PHE CE2 . 25510 1 782 . 1 1 69 69 PHE N N 15 117.836 0.074 . 1 . . . A 69 PHE N . 25510 1 783 . 1 1 70 70 GLN H H 1 8.480 0.016 . 1 . . . A 70 GLN H . 25510 1 784 . 1 1 70 70 GLN HA H 1 4.142 0.013 . 1 . . . A 70 GLN HA . 25510 1 785 . 1 1 70 70 GLN HB2 H 1 2.404 0.025 . 1 . . . A 70 GLN HB2 . 25510 1 786 . 1 1 70 70 GLN HB3 H 1 2.019 0.029 . 1 . . . A 70 GLN HB3 . 25510 1 787 . 1 1 70 70 GLN HG2 H 1 2.209 0.020 . 2 . . . A 70 GLN HG2 . 25510 1 788 . 1 1 70 70 GLN HG3 H 1 2.707 0.018 . 2 . . . A 70 GLN HG3 . 25510 1 789 . 1 1 70 70 GLN HE21 H 1 6.749 0.000 . 2 . . . A 70 GLN HE21 . 25510 1 790 . 1 1 70 70 GLN C C 13 180.057 0.000 . 1 . . . A 70 GLN C . 25510 1 791 . 1 1 70 70 GLN CA C 13 59.786 0.109 . 1 . . . A 70 GLN CA . 25510 1 792 . 1 1 70 70 GLN CB C 13 27.673 0.082 . 1 . . . A 70 GLN CB . 25510 1 793 . 1 1 70 70 GLN CG C 13 34.365 0.033 . 1 . . . A 70 GLN CG . 25510 1 794 . 1 1 70 70 GLN N N 15 118.145 0.139 . 1 . . . A 70 GLN N . 25510 1 795 . 1 1 71 71 LYS H H 1 8.099 0.016 . 1 . . . A 71 LYS H . 25510 1 796 . 1 1 71 71 LYS HA H 1 3.925 0.019 . 1 . . . A 71 LYS HA . 25510 1 797 . 1 1 71 71 LYS HB2 H 1 1.445 0.030 . 2 . . . A 71 LYS HB2 . 25510 1 798 . 1 1 71 71 LYS HB3 H 1 1.617 0.010 . 2 . . . A 71 LYS HB3 . 25510 1 799 . 1 1 71 71 LYS HG2 H 1 1.226 0.025 . 2 . . . A 71 LYS HG2 . 25510 1 800 . 1 1 71 71 LYS HD2 H 1 1.293 0.022 . 2 . . . A 71 LYS HD2 . 25510 1 801 . 1 1 71 71 LYS HE2 H 1 3.256 0.028 . 2 . . . A 71 LYS HE2 . 25510 1 802 . 1 1 71 71 LYS C C 13 178.755 0.000 . 1 . . . A 71 LYS C . 25510 1 803 . 1 1 71 71 LYS CA C 13 59.502 0.042 . 1 . . . A 71 LYS CA . 25510 1 804 . 1 1 71 71 LYS CB C 13 32.028 0.058 . 1 . . . A 71 LYS CB . 25510 1 805 . 1 1 71 71 LYS CG C 13 25.292 0.038 . 1 . . . A 71 LYS CG . 25510 1 806 . 1 1 71 71 LYS CD C 13 29.209 0.030 . 1 . . . A 71 LYS CD . 25510 1 807 . 1 1 71 71 LYS CE C 13 43.437 0.000 . 1 . . . A 71 LYS CE . 25510 1 808 . 1 1 71 71 LYS N N 15 123.368 0.108 . 1 . . . A 71 LYS N . 25510 1 809 . 1 1 72 72 LEU H H 1 7.866 0.018 . 1 . . . A 72 LEU H . 25510 1 810 . 1 1 72 72 LEU HA H 1 3.992 0.019 . 1 . . . A 72 LEU HA . 25510 1 811 . 1 1 72 72 LEU HB2 H 1 1.547 0.034 . 1 . . . A 72 LEU HB2 . 25510 1 812 . 1 1 72 72 LEU HB3 H 1 1.149 0.022 . 1 . . . A 72 LEU HB3 . 25510 1 813 . 1 1 72 72 LEU HG H 1 0.806 0.039 . 1 . . . A 72 LEU HG . 25510 1 814 . 1 1 72 72 LEU HD11 H 1 0.637 0.004 . 2 . . . A 72 LEU HD11 . 25510 1 815 . 1 1 72 72 LEU HD12 H 1 0.637 0.004 . 2 . . . A 72 LEU HD12 . 25510 1 816 . 1 1 72 72 LEU HD13 H 1 0.637 0.004 . 2 . . . A 72 LEU HD13 . 25510 1 817 . 1 1 72 72 LEU HD21 H 1 7.206 0.045 . 2 . . . A 72 LEU HD21 . 25510 1 818 . 1 1 72 72 LEU HD22 H 1 7.206 0.045 . 2 . . . A 72 LEU HD22 . 25510 1 819 . 1 1 72 72 LEU HD23 H 1 7.206 0.045 . 2 . . . A 72 LEU HD23 . 25510 1 820 . 1 1 72 72 LEU C C 13 175.462 0.000 . 1 . . . A 72 LEU C . 25510 1 821 . 1 1 72 72 LEU CA C 13 55.069 0.048 . 1 . . . A 72 LEU CA . 25510 1 822 . 1 1 72 72 LEU CB C 13 42.155 0.189 . 1 . . . A 72 LEU CB . 25510 1 823 . 1 1 72 72 LEU CG C 13 26.198 0.071 . 1 . . . A 72 LEU CG . 25510 1 824 . 1 1 72 72 LEU CD1 C 13 23.835 0.075 . 1 . . . A 72 LEU CD1 . 25510 1 825 . 1 1 72 72 LEU CD2 C 13 26.520 0.121 . 1 . . . A 72 LEU CD2 . 25510 1 826 . 1 1 72 72 LEU N N 15 117.830 0.064 . 1 . . . A 72 LEU N . 25510 1 827 . 1 1 73 73 ASN H H 1 8.026 0.017 . 1 . . . A 73 ASN H . 25510 1 828 . 1 1 73 73 ASN HA H 1 4.339 0.006 . 1 . . . A 73 ASN HA . 25510 1 829 . 1 1 73 73 ASN HB2 H 1 3.374 0.004 . 2 . . . A 73 ASN HB2 . 25510 1 830 . 1 1 73 73 ASN HB3 H 1 2.745 0.005 . 2 . . . A 73 ASN HB3 . 25510 1 831 . 1 1 73 73 ASN C C 13 175.753 0.000 . 1 . . . A 73 ASN C . 25510 1 832 . 1 1 73 73 ASN CA C 13 54.474 0.072 . 1 . . . A 73 ASN CA . 25510 1 833 . 1 1 73 73 ASN CB C 13 37.479 0.064 . 1 . . . A 73 ASN CB . 25510 1 834 . 1 1 73 73 ASN N N 15 113.996 0.077 . 1 . . . A 73 ASN N . 25510 1 835 . 1 1 74 74 TYR H H 1 8.613 0.007 . 1 . . . A 74 TYR H . 25510 1 836 . 1 1 74 74 TYR HA H 1 5.277 0.011 . 1 . . . A 74 TYR HA . 25510 1 837 . 1 1 74 74 TYR HB2 H 1 3.147 0.009 . 2 . . . A 74 TYR HB2 . 25510 1 838 . 1 1 74 74 TYR HB3 H 1 3.268 0.008 . 2 . . . A 74 TYR HB3 . 25510 1 839 . 1 1 74 74 TYR HD1 H 1 7.158 0.036 . 1 . . . A 74 TYR HD1 . 25510 1 840 . 1 1 74 74 TYR HD2 H 1 7.158 0.036 . 1 . . . A 74 TYR HD2 . 25510 1 841 . 1 1 74 74 TYR HE1 H 1 7.003 0.020 . 1 . . . A 74 TYR HE1 . 25510 1 842 . 1 1 74 74 TYR HE2 H 1 7.003 0.020 . 1 . . . A 74 TYR HE2 . 25510 1 843 . 1 1 74 74 TYR C C 13 177.548 0.000 . 1 . . . A 74 TYR C . 25510 1 844 . 1 1 74 74 TYR CA C 13 54.059 0.109 . 1 . . . A 74 TYR CA . 25510 1 845 . 1 1 74 74 TYR CB C 13 35.376 0.042 . 1 . . . A 74 TYR CB . 25510 1 846 . 1 1 74 74 TYR CE1 C 13 118.685 0.011 . 1 . . . A 74 TYR CE1 . 25510 1 847 . 1 1 74 74 TYR CE2 C 13 118.685 0.011 . 1 . . . A 74 TYR CE2 . 25510 1 848 . 1 1 74 74 TYR N N 15 122.244 0.107 . 1 . . . A 74 TYR N . 25510 1 849 . 1 1 75 75 MET H H 1 7.722 0.009 . 1 . . . A 75 MET H . 25510 1 850 . 1 1 75 75 MET HA H 1 4.275 0.022 . 1 . . . A 75 MET HA . 25510 1 851 . 1 1 75 75 MET HB3 H 1 2.078 0.009 . 2 . . . A 75 MET HB3 . 25510 1 852 . 1 1 75 75 MET HG2 H 1 2.802 0.004 . 2 . . . A 75 MET HG2 . 25510 1 853 . 1 1 75 75 MET HG3 H 1 2.586 0.019 . 2 . . . A 75 MET HG3 . 25510 1 854 . 1 1 75 75 MET C C 13 178.716 0.000 . 1 . . . A 75 MET C . 25510 1 855 . 1 1 75 75 MET CA C 13 57.231 0.149 . 1 . . . A 75 MET CA . 25510 1 856 . 1 1 75 75 MET CB C 13 30.304 0.065 . 1 . . . A 75 MET CB . 25510 1 857 . 1 1 75 75 MET CG C 13 32.351 0.057 . 1 . . . A 75 MET CG . 25510 1 858 . 1 1 75 75 MET N N 15 117.619 0.069 . 1 . . . A 75 MET N . 25510 1 859 . 1 1 76 76 HIS H H 1 8.865 0.016 . 1 . . . A 76 HIS H . 25510 1 860 . 1 1 76 76 HIS HA H 1 4.467 0.030 . 1 . . . A 76 HIS HA . 25510 1 861 . 1 1 76 76 HIS HB3 H 1 3.318 0.008 . 2 . . . A 76 HIS HB3 . 25510 1 862 . 1 1 76 76 HIS CA C 13 58.997 0.046 . 1 . . . A 76 HIS CA . 25510 1 863 . 1 1 76 76 HIS CB C 13 27.437 0.111 . 1 . . . A 76 HIS CB . 25510 1 864 . 1 1 76 76 HIS N N 15 117.559 0.069 . 1 . . . A 76 HIS N . 25510 1 865 . 1 1 77 77 ILE H H 1 7.356 0.023 . 1 . . . A 77 ILE H . 25510 1 866 . 1 1 77 77 ILE HA H 1 3.584 0.019 . 1 . . . A 77 ILE HA . 25510 1 867 . 1 1 77 77 ILE HB H 1 1.385 0.012 . 1 . . . A 77 ILE HB . 25510 1 868 . 1 1 77 77 ILE HG12 H 1 0.921 0.012 . 2 . . . A 77 ILE HG12 . 25510 1 869 . 1 1 77 77 ILE HG13 H 1 1.351 0.005 . 2 . . . A 77 ILE HG13 . 25510 1 870 . 1 1 77 77 ILE HG21 H 1 -0.020 0.005 . 1 . . . A 77 ILE HG21 . 25510 1 871 . 1 1 77 77 ILE HG22 H 1 -0.020 0.005 . 1 . . . A 77 ILE HG22 . 25510 1 872 . 1 1 77 77 ILE HG23 H 1 -0.020 0.005 . 1 . . . A 77 ILE HG23 . 25510 1 873 . 1 1 77 77 ILE HD11 H 1 0.603 0.006 . 1 . . . A 77 ILE HD11 . 25510 1 874 . 1 1 77 77 ILE HD12 H 1 0.603 0.006 . 1 . . . A 77 ILE HD12 . 25510 1 875 . 1 1 77 77 ILE HD13 H 1 0.603 0.006 . 1 . . . A 77 ILE HD13 . 25510 1 876 . 1 1 77 77 ILE C C 13 177.168 0.000 . 1 . . . A 77 ILE C . 25510 1 877 . 1 1 77 77 ILE CA C 13 64.204 0.059 . 1 . . . A 77 ILE CA . 25510 1 878 . 1 1 77 77 ILE CB C 13 37.800 0.054 . 1 . . . A 77 ILE CB . 25510 1 879 . 1 1 77 77 ILE CG1 C 13 28.071 0.067 . 1 . . . A 77 ILE CG1 . 25510 1 880 . 1 1 77 77 ILE CG2 C 13 16.355 0.050 . 1 . . . A 77 ILE CG2 . 25510 1 881 . 1 1 77 77 ILE CD1 C 13 13.150 0.077 . 1 . . . A 77 ILE CD1 . 25510 1 882 . 1 1 77 77 ILE N N 15 119.750 0.141 . 1 . . . A 77 ILE N . 25510 1 883 . 1 1 78 78 ALA H H 1 8.054 0.015 . 1 . . . A 78 ALA H . 25510 1 884 . 1 1 78 78 ALA HA H 1 3.930 0.007 . 1 . . . A 78 ALA HA . 25510 1 885 . 1 1 78 78 ALA HB1 H 1 1.605 0.016 . 1 . . . A 78 ALA HB1 . 25510 1 886 . 1 1 78 78 ALA HB2 H 1 1.605 0.016 . 1 . . . A 78 ALA HB2 . 25510 1 887 . 1 1 78 78 ALA HB3 H 1 1.605 0.016 . 1 . . . A 78 ALA HB3 . 25510 1 888 . 1 1 78 78 ALA C C 13 178.936 0.000 . 1 . . . A 78 ALA C . 25510 1 889 . 1 1 78 78 ALA CA C 13 56.421 0.082 . 1 . . . A 78 ALA CA . 25510 1 890 . 1 1 78 78 ALA CB C 13 18.987 0.086 . 1 . . . A 78 ALA CB . 25510 1 891 . 1 1 78 78 ALA N N 15 120.662 0.109 . 1 . . . A 78 ALA N . 25510 1 892 . 1 1 79 79 ASN H H 1 8.531 0.008 . 1 . . . A 79 ASN H . 25510 1 893 . 1 1 79 79 ASN HA H 1 4.444 0.011 . 1 . . . A 79 ASN HA . 25510 1 894 . 1 1 79 79 ASN HB2 H 1 2.820 0.024 . 1 . . . A 79 ASN HB2 . 25510 1 895 . 1 1 79 79 ASN HB3 H 1 2.852 0.000 . 1 . . . A 79 ASN HB3 . 25510 1 896 . 1 1 79 79 ASN HD21 H 1 6.898 0.000 . 2 . . . A 79 ASN HD21 . 25510 1 897 . 1 1 79 79 ASN C C 13 177.625 0.000 . 1 . . . A 79 ASN C . 25510 1 898 . 1 1 79 79 ASN CA C 13 56.051 0.088 . 1 . . . A 79 ASN CA . 25510 1 899 . 1 1 79 79 ASN CB C 13 38.224 0.049 . 1 . . . A 79 ASN CB . 25510 1 900 . 1 1 79 79 ASN N N 15 114.176 0.070 . 1 . . . A 79 ASN N . 25510 1 901 . 1 1 80 80 ALA H H 1 7.822 0.017 . 1 . . . A 80 ALA H . 25510 1 902 . 1 1 80 80 ALA HA H 1 4.128 0.013 . 1 . . . A 80 ALA HA . 25510 1 903 . 1 1 80 80 ALA HB1 H 1 1.350 0.005 . 1 . . . A 80 ALA HB1 . 25510 1 904 . 1 1 80 80 ALA HB2 H 1 1.350 0.005 . 1 . . . A 80 ALA HB2 . 25510 1 905 . 1 1 80 80 ALA HB3 H 1 1.350 0.005 . 1 . . . A 80 ALA HB3 . 25510 1 906 . 1 1 80 80 ALA C C 13 180.727 0.000 . 1 . . . A 80 ALA C . 25510 1 907 . 1 1 80 80 ALA CA C 13 55.162 0.043 . 1 . . . A 80 ALA CA . 25510 1 908 . 1 1 80 80 ALA CB C 13 18.262 0.050 . 1 . . . A 80 ALA CB . 25510 1 909 . 1 1 80 80 ALA N N 15 123.670 0.092 . 1 . . . A 80 ALA N . 25510 1 910 . 1 1 81 81 LEU H H 1 8.526 0.011 . 1 . . . A 81 LEU H . 25510 1 911 . 1 1 81 81 LEU HA H 1 3.992 0.008 . 1 . . . A 81 LEU HA . 25510 1 912 . 1 1 81 81 LEU HB2 H 1 1.636 0.032 . 2 . . . A 81 LEU HB2 . 25510 1 913 . 1 1 81 81 LEU HD11 H 1 0.889 0.011 . 2 . . . A 81 LEU HD11 . 25510 1 914 . 1 1 81 81 LEU HD12 H 1 0.889 0.011 . 2 . . . A 81 LEU HD12 . 25510 1 915 . 1 1 81 81 LEU HD13 H 1 0.889 0.011 . 2 . . . A 81 LEU HD13 . 25510 1 916 . 1 1 81 81 LEU C C 13 177.550 0.000 . 1 . . . A 81 LEU C . 25510 1 917 . 1 1 81 81 LEU CA C 13 57.873 0.125 . 1 . . . A 81 LEU CA . 25510 1 918 . 1 1 81 81 LEU CB C 13 42.339 0.099 . 1 . . . A 81 LEU CB . 25510 1 919 . 1 1 81 81 LEU CG C 13 26.048 0.016 . 1 . . . A 81 LEU CG . 25510 1 920 . 1 1 81 81 LEU N N 15 120.065 0.127 . 1 . . . A 81 LEU N . 25510 1 921 . 1 1 82 82 GLU H H 1 8.429 0.021 . 1 . . . A 82 GLU H . 25510 1 922 . 1 1 82 82 GLU HA H 1 3.995 0.034 . 1 . . . A 82 GLU HA . 25510 1 923 . 1 1 82 82 GLU HB3 H 1 2.214 0.039 . 1 . . . A 82 GLU HB3 . 25510 1 924 . 1 1 82 82 GLU HG2 H 1 2.435 0.009 . 2 . . . A 82 GLU HG2 . 25510 1 925 . 1 1 82 82 GLU C C 13 178.510 0.000 . 1 . . . A 82 GLU C . 25510 1 926 . 1 1 82 82 GLU CA C 13 59.671 0.074 . 1 . . . A 82 GLU CA . 25510 1 927 . 1 1 82 82 GLU CB C 13 28.804 0.046 . 1 . . . A 82 GLU CB . 25510 1 928 . 1 1 82 82 GLU CG C 13 34.517 0.080 . 1 . . . A 82 GLU CG . 25510 1 929 . 1 1 82 82 GLU N N 15 119.844 0.066 . 1 . . . A 82 GLU N . 25510 1 930 . 1 1 83 83 GLU H H 1 8.138 0.009 . 1 . . . A 83 GLU H . 25510 1 931 . 1 1 83 83 GLU HA H 1 4.054 0.027 . 1 . . . A 83 GLU HA . 25510 1 932 . 1 1 83 83 GLU HB3 H 1 2.134 0.010 . 2 . . . A 83 GLU HB3 . 25510 1 933 . 1 1 83 83 GLU HG2 H 1 2.459 0.020 . 2 . . . A 83 GLU HG2 . 25510 1 934 . 1 1 83 83 GLU C C 13 179.516 0.000 . 1 . . . A 83 GLU C . 25510 1 935 . 1 1 83 83 GLU CA C 13 59.904 0.057 . 1 . . . A 83 GLU CA . 25510 1 936 . 1 1 83 83 GLU CB C 13 28.959 0.147 . 1 . . . A 83 GLU CB . 25510 1 937 . 1 1 83 83 GLU CG C 13 35.655 0.034 . 1 . . . A 83 GLU CG . 25510 1 938 . 1 1 83 83 GLU N N 15 118.585 0.091 . 1 . . . A 83 GLU N . 25510 1 939 . 1 1 84 84 LYS H H 1 8.690 0.023 . 1 . . . A 84 LYS H . 25510 1 940 . 1 1 84 84 LYS HA H 1 4.120 0.023 . 1 . . . A 84 LYS HA . 25510 1 941 . 1 1 84 84 LYS HB2 H 1 2.035 0.040 . 1 . . . A 84 LYS HB2 . 25510 1 942 . 1 1 84 84 LYS HG2 H 1 0.889 0.015 . 2 . . . A 84 LYS HG2 . 25510 1 943 . 1 1 84 84 LYS HZ1 H 1 7.608 0.000 . 1 . . . A 84 LYS HZ1 . 25510 1 944 . 1 1 84 84 LYS HZ2 H 1 7.608 0.000 . 1 . . . A 84 LYS HZ2 . 25510 1 945 . 1 1 84 84 LYS HZ3 H 1 7.608 0.000 . 1 . . . A 84 LYS HZ3 . 25510 1 946 . 1 1 84 84 LYS CA C 13 59.708 0.098 . 1 . . . A 84 LYS CA . 25510 1 947 . 1 1 84 84 LYS CG C 13 12.988 0.046 . 1 . . . A 84 LYS CG . 25510 1 948 . 1 1 84 84 LYS N N 15 119.135 0.084 . 1 . . . A 84 LYS N . 25510 1 949 . 1 1 85 85 LYS H H 1 8.109 0.038 . 1 . . . A 85 LYS H . 25510 1 950 . 1 1 85 85 LYS HA H 1 4.457 0.035 . 1 . . . A 85 LYS HA . 25510 1 951 . 1 1 85 85 LYS N N 15 118.012 0.025 . 1 . . . A 85 LYS N . 25510 1 952 . 1 1 86 86 LYS H H 1 8.577 0.045 . 1 . . . A 86 LYS H . 25510 1 953 . 1 1 86 86 LYS HA H 1 3.918 0.000 . 1 . . . A 86 LYS HA . 25510 1 954 . 1 1 86 86 LYS HB2 H 1 2.056 0.000 . 2 . . . A 86 LYS HB2 . 25510 1 955 . 1 1 86 86 LYS HG2 H 1 0.879 0.013 . 2 . . . A 86 LYS HG2 . 25510 1 956 . 1 1 86 86 LYS HD2 H 1 1.422 0.000 . 2 . . . A 86 LYS HD2 . 25510 1 957 . 1 1 86 86 LYS HE2 H 1 3.753 0.009 . 2 . . . A 86 LYS HE2 . 25510 1 958 . 1 1 86 86 LYS HZ1 H 1 8.220 0.010 . 1 . . . A 86 LYS HZ1 . 25510 1 959 . 1 1 86 86 LYS HZ2 H 1 8.220 0.010 . 1 . . . A 86 LYS HZ2 . 25510 1 960 . 1 1 86 86 LYS HZ3 H 1 8.220 0.010 . 1 . . . A 86 LYS HZ3 . 25510 1 961 . 1 1 86 86 LYS CA C 13 63.298 0.000 . 1 . . . A 86 LYS CA . 25510 1 962 . 1 1 86 86 LYS N N 15 119.839 0.159 . 1 . . . A 86 LYS N . 25510 1 963 . 1 1 87 87 GLU H H 1 8.402 0.007 . 1 . . . A 87 GLU H . 25510 1 964 . 1 1 87 87 GLU HA H 1 3.991 0.038 . 1 . . . A 87 GLU HA . 25510 1 965 . 1 1 87 87 GLU HB3 H 1 2.106 0.025 . 1 . . . A 87 GLU HB3 . 25510 1 966 . 1 1 87 87 GLU HG2 H 1 2.516 0.023 . 2 . . . A 87 GLU HG2 . 25510 1 967 . 1 1 87 87 GLU HG3 H 1 2.268 0.046 . 2 . . . A 87 GLU HG3 . 25510 1 968 . 1 1 87 87 GLU CA C 13 59.239 0.120 . 1 . . . A 87 GLU CA . 25510 1 969 . 1 1 87 87 GLU CB C 13 29.112 0.069 . 1 . . . A 87 GLU CB . 25510 1 970 . 1 1 87 87 GLU CG C 13 35.181 0.218 . 1 . . . A 87 GLU CG . 25510 1 971 . 1 1 87 87 GLU N N 15 119.674 0.065 . 1 . . . A 87 GLU N . 25510 1 972 . 1 1 88 88 ALA H H 1 8.043 0.018 . 1 . . . A 88 ALA H . 25510 1 973 . 1 1 88 88 ALA HA H 1 4.082 0.015 . 1 . . . A 88 ALA HA . 25510 1 974 . 1 1 88 88 ALA HB1 H 1 1.338 0.025 . 1 . . . A 88 ALA HB1 . 25510 1 975 . 1 1 88 88 ALA HB2 H 1 1.338 0.025 . 1 . . . A 88 ALA HB2 . 25510 1 976 . 1 1 88 88 ALA HB3 H 1 1.338 0.025 . 1 . . . A 88 ALA HB3 . 25510 1 977 . 1 1 88 88 ALA C C 13 179.999 0.000 . 1 . . . A 88 ALA C . 25510 1 978 . 1 1 88 88 ALA CA C 13 54.938 0.092 . 1 . . . A 88 ALA CA . 25510 1 979 . 1 1 88 88 ALA CB C 13 18.417 0.041 . 1 . . . A 88 ALA CB . 25510 1 980 . 1 1 88 88 ALA N N 15 121.869 0.113 . 1 . . . A 88 ALA N . 25510 1 981 . 1 1 89 89 GLU H H 1 8.058 0.013 . 1 . . . A 89 GLU H . 25510 1 982 . 1 1 89 89 GLU HA H 1 4.004 0.018 . 1 . . . A 89 GLU HA . 25510 1 983 . 1 1 89 89 GLU HB2 H 1 2.366 0.017 . 2 . . . A 89 GLU HB2 . 25510 1 984 . 1 1 89 89 GLU HB3 H 1 2.119 0.024 . 2 . . . A 89 GLU HB3 . 25510 1 985 . 1 1 89 89 GLU HG2 H 1 2.382 0.012 . 2 . . . A 89 GLU HG2 . 25510 1 986 . 1 1 89 89 GLU HG3 H 1 2.721 0.027 . 2 . . . A 89 GLU HG3 . 25510 1 987 . 1 1 89 89 GLU C C 13 178.454 0.000 . 1 . . . A 89 GLU C . 25510 1 988 . 1 1 89 89 GLU CA C 13 58.394 0.094 . 1 . . . A 89 GLU CA . 25510 1 989 . 1 1 89 89 GLU CB C 13 29.144 0.097 . 1 . . . A 89 GLU CB . 25510 1 990 . 1 1 89 89 GLU CG C 13 36.777 0.077 . 1 . . . A 89 GLU CG . 25510 1 991 . 1 1 89 89 GLU N N 15 115.931 0.068 . 1 . . . A 89 GLU N . 25510 1 992 . 1 1 90 90 ARG H H 1 7.791 0.011 . 1 . . . A 90 ARG H . 25510 1 993 . 1 1 90 90 ARG HA H 1 4.183 0.014 . 1 . . . A 90 ARG HA . 25510 1 994 . 1 1 90 90 ARG HB3 H 1 1.923 0.028 . 1 . . . A 90 ARG HB3 . 25510 1 995 . 1 1 90 90 ARG HG2 H 1 1.822 0.008 . 1 . . . A 90 ARG HG2 . 25510 1 996 . 1 1 90 90 ARG HG3 H 1 1.703 0.005 . 1 . . . A 90 ARG HG3 . 25510 1 997 . 1 1 90 90 ARG HD3 H 1 3.202 0.027 . 2 . . . A 90 ARG HD3 . 25510 1 998 . 1 1 90 90 ARG C C 13 177.870 0.000 . 1 . . . A 90 ARG C . 25510 1 999 . 1 1 90 90 ARG CA C 13 58.265 0.145 . 1 . . . A 90 ARG CA . 25510 1 1000 . 1 1 90 90 ARG CB C 13 30.249 0.057 . 1 . . . A 90 ARG CB . 25510 1 1001 . 1 1 90 90 ARG CG C 13 27.362 0.073 . 1 . . . A 90 ARG CG . 25510 1 1002 . 1 1 90 90 ARG CD C 13 43.545 0.033 . 1 . . . A 90 ARG CD . 25510 1 1003 . 1 1 90 90 ARG N N 15 119.607 0.080 . 1 . . . A 90 ARG N . 25510 1 1004 . 1 1 91 91 LYS H H 1 7.709 0.010 . 1 . . . A 91 LYS H . 25510 1 1005 . 1 1 91 91 LYS HA H 1 4.197 0.007 . 1 . . . A 91 LYS HA . 25510 1 1006 . 1 1 91 91 LYS HB2 H 1 1.870 0.019 . 2 . . . A 91 LYS HB2 . 25510 1 1007 . 1 1 91 91 LYS HG2 H 1 1.540 0.016 . 1 . . . A 91 LYS HG2 . 25510 1 1008 . 1 1 91 91 LYS HG3 H 1 1.443 0.019 . 1 . . . A 91 LYS HG3 . 25510 1 1009 . 1 1 91 91 LYS HD2 H 1 1.689 0.011 . 1 . . . A 91 LYS HD2 . 25510 1 1010 . 1 1 91 91 LYS HE2 H 1 2.970 0.016 . 2 . . . A 91 LYS HE2 . 25510 1 1011 . 1 1 91 91 LYS HZ1 H 1 7.500 0.037 . 1 . . . A 91 LYS HZ1 . 25510 1 1012 . 1 1 91 91 LYS HZ2 H 1 7.500 0.037 . 1 . . . A 91 LYS HZ2 . 25510 1 1013 . 1 1 91 91 LYS HZ3 H 1 7.500 0.037 . 1 . . . A 91 LYS HZ3 . 25510 1 1014 . 1 1 91 91 LYS C C 13 177.087 0.000 . 1 . . . A 91 LYS C . 25510 1 1015 . 1 1 91 91 LYS CA C 13 57.606 0.079 . 1 . . . A 91 LYS CA . 25510 1 1016 . 1 1 91 91 LYS CB C 13 32.620 0.072 . 1 . . . A 91 LYS CB . 25510 1 1017 . 1 1 91 91 LYS CG C 13 25.129 0.089 . 1 . . . A 91 LYS CG . 25510 1 1018 . 1 1 91 91 LYS CD C 13 29.267 0.054 . 1 . . . A 91 LYS CD . 25510 1 1019 . 1 1 91 91 LYS CE C 13 42.138 0.032 . 1 . . . A 91 LYS CE . 25510 1 1020 . 1 1 91 91 LYS N N 15 118.638 0.110 . 1 . . . A 91 LYS N . 25510 1 1021 . 1 1 92 92 LEU H H 1 7.766 0.011 . 1 . . . A 92 LEU H . 25510 1 1022 . 1 1 92 92 LEU HA H 1 4.329 0.012 . 1 . . . A 92 LEU HA . 25510 1 1023 . 1 1 92 92 LEU HB2 H 1 1.774 0.004 . 2 . . . A 92 LEU HB2 . 25510 1 1024 . 1 1 92 92 LEU HG H 1 1.657 0.035 . 1 . . . A 92 LEU HG . 25510 1 1025 . 1 1 92 92 LEU HD11 H 1 0.898 0.019 . 2 . . . A 92 LEU HD11 . 25510 1 1026 . 1 1 92 92 LEU HD12 H 1 0.898 0.019 . 2 . . . A 92 LEU HD12 . 25510 1 1027 . 1 1 92 92 LEU HD13 H 1 0.898 0.019 . 2 . . . A 92 LEU HD13 . 25510 1 1028 . 1 1 92 92 LEU C C 13 177.464 0.000 . 1 . . . A 92 LEU C . 25510 1 1029 . 1 1 92 92 LEU CA C 13 55.618 0.035 . 1 . . . A 92 LEU CA . 25510 1 1030 . 1 1 92 92 LEU CB C 13 42.355 0.061 . 1 . . . A 92 LEU CB . 25510 1 1031 . 1 1 92 92 LEU CG C 13 27.043 0.113 . 1 . . . A 92 LEU CG . 25510 1 1032 . 1 1 92 92 LEU CD1 C 13 23.287 0.000 . 1 . . . A 92 LEU CD1 . 25510 1 1033 . 1 1 92 92 LEU CD2 C 13 24.818 0.000 . 1 . . . A 92 LEU CD2 . 25510 1 1034 . 1 1 92 92 LEU N N 15 119.640 0.076 . 1 . . . A 92 LEU N . 25510 1 1035 . 1 1 93 93 MET H H 1 7.973 0.010 . 1 . . . A 93 MET H . 25510 1 1036 . 1 1 93 93 MET HA H 1 4.570 0.022 . 1 . . . A 93 MET HA . 25510 1 1037 . 1 1 93 93 MET HB2 H 1 2.103 0.034 . 2 . . . A 93 MET HB2 . 25510 1 1038 . 1 1 93 93 MET HB3 H 1 2.156 0.031 . 2 . . . A 93 MET HB3 . 25510 1 1039 . 1 1 93 93 MET HG2 H 1 2.655 0.024 . 2 . . . A 93 MET HG2 . 25510 1 1040 . 1 1 93 93 MET C C 13 176.224 0.000 . 1 . . . A 93 MET C . 25510 1 1041 . 1 1 93 93 MET CA C 13 55.648 0.030 . 1 . . . A 93 MET CA . 25510 1 1042 . 1 1 93 93 MET CB C 13 32.978 0.139 . 1 . . . A 93 MET CB . 25510 1 1043 . 1 1 93 93 MET CG C 13 32.227 0.095 . 1 . . . A 93 MET CG . 25510 1 1044 . 1 1 93 93 MET N N 15 119.121 0.063 . 1 . . . A 93 MET N . 25510 1 1045 . 1 1 94 94 THR H H 1 8.025 0.021 . 1 . . . A 94 THR H . 25510 1 1046 . 1 1 94 94 THR HA H 1 4.375 0.023 . 1 . . . A 94 THR HA . 25510 1 1047 . 1 1 94 94 THR HB H 1 4.474 0.021 . 1 . . . A 94 THR HB . 25510 1 1048 . 1 1 94 94 THR HG21 H 1 1.205 0.004 . 1 . . . A 94 THR HG1 . 25510 1 1049 . 1 1 94 94 THR HG22 H 1 1.205 0.004 . 1 . . . A 94 THR HG1 . 25510 1 1050 . 1 1 94 94 THR HG23 H 1 1.205 0.004 . 1 . . . A 94 THR HG1 . 25510 1 1051 . 1 1 94 94 THR C C 13 173.550 0.000 . 1 . . . A 94 THR C . 25510 1 1052 . 1 1 94 94 THR CA C 13 61.682 0.062 . 1 . . . A 94 THR CA . 25510 1 1053 . 1 1 94 94 THR CB C 13 70.027 0.048 . 1 . . . A 94 THR CB . 25510 1 1054 . 1 1 94 94 THR CG2 C 13 21.386 0.000 . 1 . . . A 94 THR CG2 . 25510 1 1055 . 1 1 94 94 THR N N 15 114.125 0.069 . 1 . . . A 94 THR N . 25510 1 1056 . 1 1 95 95 ASN H H 1 8.095 0.010 . 1 . . . A 95 ASN H . 25510 1 1057 . 1 1 95 95 ASN HA H 1 4.520 0.025 . 1 . . . A 95 ASN HA . 25510 1 1058 . 1 1 95 95 ASN HB2 H 1 2.735 0.031 . 2 . . . A 95 ASN HB2 . 25510 1 1059 . 1 1 95 95 ASN CA C 13 54.909 0.021 . 1 . . . A 95 ASN CA . 25510 1 1060 . 1 1 95 95 ASN CB C 13 40.318 0.023 . 1 . . . A 95 ASN CB . 25510 1 1061 . 1 1 95 95 ASN N N 15 125.850 0.101 . 1 . . . A 95 ASN N . 25510 1 stop_ save_