data_25382 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25382 _Entry.Title ; UBX-L domain of VCIP135 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-12-07 _Entry.Accession_date 2014-12-07 _Entry.Last_release_date 2016-07-11 _Entry.Original_release_date 2016-07-11 _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 Takahiro Iwazu . . . . 25382 2 Shuhei Murayama . . . . 25382 3 Ryuji Igarashi . . . . 25382 4 Hidekazu Hrioaki . . . . 25382 5 Masahiro Shirakawa . . . . 25382 6 Hidehito Tochio . . . . 25382 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 'not applicable' 'not applicable' . 25382 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Golgi . 25382 'UBX domain' . 25382 mitosis . 25382 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25382 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 316 25382 '15N chemical shifts' 79 25382 '1H chemical shifts' 638 25382 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-07-11 . original BMRB . 25382 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MX2 'BMRB Entry Tracking System' 25382 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25382 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structure and interaction mode of the UBX-L domain of VCIP135 determined by solution NMR spectroscopy ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Takahiro Iwazu . . . . 25382 1 2 Shuhei Murayama . . . . 25382 1 3 Ryuji Igarashi . . . . 25382 1 4 Hidekazu Hrioaki . . . . 25382 1 5 Masahiro Shirakawa . . . . 25382 1 6 Hidehito Tochio . . . . 25382 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25382 _Assembly.ID 1 _Assembly.Name 'UBX-L domain of VCIP135' _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 'VCIP135 UBX' 1 $VCIP135 A . yes native no no . . . 25382 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VCIP135 _Entity.Sf_category entity _Entity.Sf_framecode VCIP135 _Entity.Entry_ID 25382 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'VCIP135 UBX' _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 ; GSDHSKEKKIRITTNDGRQS MVTLKSSTTFFELQESIARE FNIPPYLQCIRYGFPPKELM PPQAGMEKEPVPLQHGDRIT IEILKG ; _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 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9331.919 _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 GLY . 25382 1 2 2 SER . 25382 1 3 3 ASP . 25382 1 4 4 HIS . 25382 1 5 5 SER . 25382 1 6 6 LYS . 25382 1 7 7 GLU . 25382 1 8 8 LYS . 25382 1 9 9 LYS . 25382 1 10 10 ILE . 25382 1 11 11 ARG . 25382 1 12 12 ILE . 25382 1 13 13 THR . 25382 1 14 14 THR . 25382 1 15 15 ASN . 25382 1 16 16 ASP . 25382 1 17 17 GLY . 25382 1 18 18 ARG . 25382 1 19 19 GLN . 25382 1 20 20 SER . 25382 1 21 21 MET . 25382 1 22 22 VAL . 25382 1 23 23 THR . 25382 1 24 24 LEU . 25382 1 25 25 LYS . 25382 1 26 26 SER . 25382 1 27 27 SER . 25382 1 28 28 THR . 25382 1 29 29 THR . 25382 1 30 30 PHE . 25382 1 31 31 PHE . 25382 1 32 32 GLU . 25382 1 33 33 LEU . 25382 1 34 34 GLN . 25382 1 35 35 GLU . 25382 1 36 36 SER . 25382 1 37 37 ILE . 25382 1 38 38 ALA . 25382 1 39 39 ARG . 25382 1 40 40 GLU . 25382 1 41 41 PHE . 25382 1 42 42 ASN . 25382 1 43 43 ILE . 25382 1 44 44 PRO . 25382 1 45 45 PRO . 25382 1 46 46 TYR . 25382 1 47 47 LEU . 25382 1 48 48 GLN . 25382 1 49 49 CYS . 25382 1 50 50 ILE . 25382 1 51 51 ARG . 25382 1 52 52 TYR . 25382 1 53 53 GLY . 25382 1 54 54 PHE . 25382 1 55 55 PRO . 25382 1 56 56 PRO . 25382 1 57 57 LYS . 25382 1 58 58 GLU . 25382 1 59 59 LEU . 25382 1 60 60 MET . 25382 1 61 61 PRO . 25382 1 62 62 PRO . 25382 1 63 63 GLN . 25382 1 64 64 ALA . 25382 1 65 65 GLY . 25382 1 66 66 MET . 25382 1 67 67 GLU . 25382 1 68 68 LYS . 25382 1 69 69 GLU . 25382 1 70 70 PRO . 25382 1 71 71 VAL . 25382 1 72 72 PRO . 25382 1 73 73 LEU . 25382 1 74 74 GLN . 25382 1 75 75 HIS . 25382 1 76 76 GLY . 25382 1 77 77 ASP . 25382 1 78 78 ARG . 25382 1 79 79 ILE . 25382 1 80 80 THR . 25382 1 81 81 ILE . 25382 1 82 82 GLU . 25382 1 83 83 ILE . 25382 1 84 84 LEU . 25382 1 85 85 LYS . 25382 1 86 86 GLY . 25382 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25382 1 . SER 2 2 25382 1 . ASP 3 3 25382 1 . HIS 4 4 25382 1 . SER 5 5 25382 1 . LYS 6 6 25382 1 . GLU 7 7 25382 1 . LYS 8 8 25382 1 . LYS 9 9 25382 1 . ILE 10 10 25382 1 . ARG 11 11 25382 1 . ILE 12 12 25382 1 . THR 13 13 25382 1 . THR 14 14 25382 1 . ASN 15 15 25382 1 . ASP 16 16 25382 1 . GLY 17 17 25382 1 . ARG 18 18 25382 1 . GLN 19 19 25382 1 . SER 20 20 25382 1 . MET 21 21 25382 1 . VAL 22 22 25382 1 . THR 23 23 25382 1 . LEU 24 24 25382 1 . LYS 25 25 25382 1 . SER 26 26 25382 1 . SER 27 27 25382 1 . THR 28 28 25382 1 . THR 29 29 25382 1 . PHE 30 30 25382 1 . PHE 31 31 25382 1 . GLU 32 32 25382 1 . LEU 33 33 25382 1 . GLN 34 34 25382 1 . GLU 35 35 25382 1 . SER 36 36 25382 1 . ILE 37 37 25382 1 . ALA 38 38 25382 1 . ARG 39 39 25382 1 . GLU 40 40 25382 1 . PHE 41 41 25382 1 . ASN 42 42 25382 1 . ILE 43 43 25382 1 . PRO 44 44 25382 1 . PRO 45 45 25382 1 . TYR 46 46 25382 1 . LEU 47 47 25382 1 . GLN 48 48 25382 1 . CYS 49 49 25382 1 . ILE 50 50 25382 1 . ARG 51 51 25382 1 . TYR 52 52 25382 1 . GLY 53 53 25382 1 . PHE 54 54 25382 1 . PRO 55 55 25382 1 . PRO 56 56 25382 1 . LYS 57 57 25382 1 . GLU 58 58 25382 1 . LEU 59 59 25382 1 . MET 60 60 25382 1 . PRO 61 61 25382 1 . PRO 62 62 25382 1 . GLN 63 63 25382 1 . ALA 64 64 25382 1 . GLY 65 65 25382 1 . MET 66 66 25382 1 . GLU 67 67 25382 1 . LYS 68 68 25382 1 . GLU 69 69 25382 1 . PRO 70 70 25382 1 . VAL 71 71 25382 1 . PRO 72 72 25382 1 . LEU 73 73 25382 1 . GLN 74 74 25382 1 . HIS 75 75 25382 1 . GLY 76 76 25382 1 . ASP 77 77 25382 1 . ARG 78 78 25382 1 . ILE 79 79 25382 1 . THR 80 80 25382 1 . ILE 81 81 25382 1 . GLU 82 82 25382 1 . ILE 83 83 25382 1 . LEU 84 84 25382 1 . LYS 85 85 25382 1 . GLY 86 86 25382 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 25382 _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 $VCIP135 . 10116 organism . 'Rattus norvegicus' 'Norway Rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 25382 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 25382 _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 $VCIP135 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX-4T3 . . . 25382 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25382 _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 'VCIP135 UBX' '[U-13C; U-15N]' . . 1 $VCIP135 . . 1.86 . . mM . . . . 25382 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25382 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25382 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 25382 _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' 50 . mM 25382 1 pH 7.4 . pH 25382 1 pressure 1 . atm 25382 1 temperature 298 . K 25382 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25382 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25382 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25382 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 25382 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25382 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DPX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25382 _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 DRX . 700 . . . 25382 1 2 spectrometer_2 Bruker DPX . 600 . . . 25382 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 25382 _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 . . . . . . . . . . . . . . . . . . . . . 25382 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25382 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25382 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25382 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25382 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25382 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25382 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25382 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25382 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25382 1 11 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25382 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 25382 _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 protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25382 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25382 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25382 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 25382 _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' . . . 25382 1 2 '3D CBCA(CO)NH' . . . 25382 1 3 '3D HNCACB' . . . 25382 1 4 '3D HNCA' . . . 25382 1 5 '3D HN(CO)CA' . . . 25382 1 6 '3D HCCH-TOCSY' . . . 25382 1 9 '3D HCCH-COSY' . . . 25382 1 10 '2D 1H-13C HSQC' . . . 25382 1 11 '2D 1H-13C HSQC aliphatic' . . . 25382 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 GLY HA2 H 1 3.791 0.000 . . . . . . 1 GLY QA . 25382 1 2 . 1 1 1 1 GLY HA3 H 1 3.791 0.000 . . . . . . 1 GLY QA . 25382 1 3 . 1 1 1 1 GLY CA C 13 71.841 0.000 . . . . . . 1 GLY CA . 25382 1 4 . 1 1 2 2 SER HA H 1 4.428 0.000 . . . . . . 2 SER HA . 25382 1 5 . 1 1 2 2 SER HB2 H 1 3.759 0.000 . . . . . . 2 SER QB . 25382 1 6 . 1 1 2 2 SER HB3 H 1 3.759 0.000 . . . . . . 2 SER QB . 25382 1 7 . 1 1 2 2 SER CA C 13 58.260 0.000 . . . . . . 2 SER CA . 25382 1 8 . 1 1 2 2 SER CB C 13 63.819 0.000 . . . . . . 2 SER CB . 25382 1 9 . 1 1 3 3 ASP HA H 1 4.550 0.000 . . . . . . 3 ASP HA . 25382 1 10 . 1 1 3 3 ASP HB2 H 1 2.636 0.000 . . . . . . 3 ASP HB2 . 25382 1 11 . 1 1 3 3 ASP HB3 H 1 2.551 0.000 . . . . . . 3 ASP HB3 . 25382 1 12 . 1 1 3 3 ASP CA C 13 54.107 0.000 . . . . . . 3 ASP CA . 25382 1 13 . 1 1 3 3 ASP CB C 13 68.941 0.000 . . . . . . 3 ASP CB . 25382 1 14 . 1 1 4 4 HIS HA H 1 4.584 0.000 . . . . . . 4 HIS HA . 25382 1 15 . 1 1 4 4 HIS HB2 H 1 3.135 0.000 . . . . . . 4 HIS HB2 . 25382 1 16 . 1 1 4 4 HIS HB3 H 1 3.002 0.000 . . . . . . 4 HIS HB3 . 25382 1 17 . 1 1 4 4 HIS HD2 H 1 6.955 0.000 . . . . . . 4 HIS HD2 . 25382 1 18 . 1 1 4 4 HIS HE1 H 1 7.815 0.000 . . . . . . 4 HIS HE1 . 25382 1 19 . 1 1 4 4 HIS CA C 13 56.572 0.000 . . . . . . 4 HIS CA . 25382 1 20 . 1 1 4 4 HIS CB C 13 58.172 0.000 . . . . . . 4 HIS CB . 25382 1 21 . 1 1 4 4 HIS CD2 C 13 64.111 0.000 . . . . . . 4 HIS CD2 . 25382 1 22 . 1 1 4 4 HIS CE1 C 13 54.216 0.000 . . . . . . 4 HIS CE1 . 25382 1 23 . 1 1 5 5 SER HA H 1 4.324 0.000 . . . . . . 5 SER HA . 25382 1 24 . 1 1 5 5 SER HB2 H 1 3.852 0.000 . . . . . . 5 SER HB2 . 25382 1 25 . 1 1 5 5 SER HB3 H 1 3.805 0.000 . . . . . . 5 SER HB3 . 25382 1 26 . 1 1 5 5 SER CA C 13 59.114 0.000 . . . . . . 5 SER CA . 25382 1 27 . 1 1 5 5 SER CB C 13 63.630 0.000 . . . . . . 5 SER CB . 25382 1 28 . 1 1 6 6 LYS HA H 1 4.329 0.000 . . . . . A 6 LYS HA . 25382 1 29 . 1 1 6 6 LYS HB2 H 1 1.720 0.000 . . . . . A 6 LYS HB2 . 25382 1 30 . 1 1 6 6 LYS HB3 H 1 1.899 0.000 . . . . . A 6 LYS HB3 . 25382 1 31 . 1 1 6 6 LYS HG2 H 1 1.380 0.000 . . . . . A 6 LYS HG2 . 25382 1 32 . 1 1 6 6 LYS HG3 H 1 1.380 0.000 . . . . . A 6 LYS HG3 . 25382 1 33 . 1 1 6 6 LYS HD2 H 1 1.654 0.000 . . . . . A 6 LYS HD2 . 25382 1 34 . 1 1 6 6 LYS HD3 H 1 1.654 0.000 . . . . . A 6 LYS HD3 . 25382 1 35 . 1 1 6 6 LYS HE2 H 1 2.925 0.000 . . . . . A 6 LYS HE2 . 25382 1 36 . 1 1 6 6 LYS HE3 H 1 2.925 0.000 . . . . . A 6 LYS HE3 . 25382 1 37 . 1 1 6 6 LYS CA C 13 56.377 0.000 . . . . . A 6 LYS CA . 25382 1 38 . 1 1 6 6 LYS CB C 13 60.969 0.000 . . . . . A 6 LYS CB . 25382 1 39 . 1 1 6 6 LYS CG C 13 52.875 0.000 . . . . . A 6 LYS CG . 25382 1 40 . 1 1 6 6 LYS CD C 13 57.001 0.000 . . . . . A 6 LYS CD . 25382 1 41 . 1 1 6 6 LYS CE C 13 70.156 0.000 . . . . . A 6 LYS CE . 25382 1 42 . 1 1 7 7 GLU H H 1 7.976 0.000 . . . . . A 7 GLU H . 25382 1 43 . 1 1 7 7 GLU HA H 1 4.578 0.000 . . . . . A 7 GLU HA . 25382 1 44 . 1 1 7 7 GLU HB2 H 1 1.813 0.000 . . . . . A 7 GLU HB2 . 25382 1 45 . 1 1 7 7 GLU HB3 H 1 1.813 0.000 . . . . . A 7 GLU HB3 . 25382 1 46 . 1 1 7 7 GLU HG2 H 1 2.071 0.000 . . . . . A 7 GLU HG2 . 25382 1 47 . 1 1 7 7 GLU HG3 H 1 2.129 0.000 . . . . . A 7 GLU HG3 . 25382 1 48 . 1 1 7 7 GLU CA C 13 55.704 0.000 . . . . . A 7 GLU CA . 25382 1 49 . 1 1 7 7 GLU CB C 13 59.736 0.000 . . . . . A 7 GLU CB . 25382 1 50 . 1 1 7 7 GLU CG C 13 64.454 0.000 . . . . . A 7 GLU CG . 25382 1 51 . 1 1 7 7 GLU N N 15 120.238 0.000 . . . . . A 7 GLU N . 25382 1 52 . 1 1 8 8 LYS H H 1 8.707 0.000 . . . . . A 8 LYS H . 25382 1 53 . 1 1 8 8 LYS HA H 1 4.830 0.000 . . . . . A 8 LYS HA . 25382 1 54 . 1 1 8 8 LYS HB2 H 1 1.552 0.000 . . . . . A 8 LYS HB2 . 25382 1 55 . 1 1 8 8 LYS HB3 H 1 1.552 0.000 . . . . . A 8 LYS HB3 . 25382 1 56 . 1 1 8 8 LYS HG2 H 1 1.208 0.000 . . . . . A 8 LYS HG2 . 25382 1 57 . 1 1 8 8 LYS HG3 H 1 1.208 0.000 . . . . . A 8 LYS HG3 . 25382 1 58 . 1 1 8 8 LYS HD2 H 1 1.441 0.000 . . . . . A 8 LYS HD2 . 25382 1 59 . 1 1 8 8 LYS HD3 H 1 1.441 0.000 . . . . . A 8 LYS HD3 . 25382 1 60 . 1 1 8 8 LYS HE2 H 1 2.740 0.000 . . . . . A 8 LYS HE2 . 25382 1 61 . 1 1 8 8 LYS HE3 H 1 2.931 0.000 . . . . . A 8 LYS HE3 . 25382 1 62 . 1 1 8 8 LYS CA C 13 54.660 0.000 . . . . . A 8 LYS CA . 25382 1 63 . 1 1 8 8 LYS CB C 13 63.562 0.000 . . . . . A 8 LYS CB . 25382 1 64 . 1 1 8 8 LYS CG C 13 52.654 0.000 . . . . . A 8 LYS CG . 25382 1 65 . 1 1 8 8 LYS CD C 13 58.102 0.000 . . . . . A 8 LYS CD . 25382 1 66 . 1 1 8 8 LYS CE C 13 70.467 0.000 . . . . . A 8 LYS CE . 25382 1 67 . 1 1 8 8 LYS N N 15 120.431 0.000 . . . . . A 8 LYS N . 25382 1 68 . 1 1 9 9 LYS H H 1 10.629 0.000 . . . . . A 9 LYS H . 25382 1 69 . 1 1 9 9 LYS HA H 1 5.170 0.000 . . . . . A 9 LYS HA . 25382 1 70 . 1 1 9 9 LYS HB2 H 1 1.706 0.000 . . . . . A 9 LYS HB2 . 25382 1 71 . 1 1 9 9 LYS HB3 H 1 1.622 0.000 . . . . . A 9 LYS HB3 . 25382 1 72 . 1 1 9 9 LYS HG2 H 1 1.446 0.000 . . . . . A 9 LYS HG2 . 25382 1 73 . 1 1 9 9 LYS HG3 H 1 1.373 0.000 . . . . . A 9 LYS HG3 . 25382 1 74 . 1 1 9 9 LYS HD2 H 1 1.603 0.000 . . . . . A 9 LYS HD2 . 25382 1 75 . 1 1 9 9 LYS HD3 H 1 1.603 0.000 . . . . . A 9 LYS HD3 . 25382 1 76 . 1 1 9 9 LYS HE2 H 1 2.874 0.000 . . . . . A 9 LYS HE2 . 25382 1 77 . 1 1 9 9 LYS HE3 H 1 2.874 0.000 . . . . . A 9 LYS HE3 . 25382 1 78 . 1 1 9 9 LYS CA C 13 55.514 0.000 . . . . . A 9 LYS CA . 25382 1 79 . 1 1 9 9 LYS CB C 13 61.898 0.000 . . . . . A 9 LYS CB . 25382 1 80 . 1 1 9 9 LYS CG C 13 52.893 0.000 . . . . . A 9 LYS CG . 25382 1 81 . 1 1 9 9 LYS CD C 13 57.074 0.000 . . . . . A 9 LYS CD . 25382 1 82 . 1 1 9 9 LYS CE C 13 70.066 0.000 . . . . . A 9 LYS CE . 25382 1 83 . 1 1 9 9 LYS N N 15 126.665 0.000 . . . . . A 9 LYS N . 25382 1 84 . 1 1 10 10 ILE H H 1 8.828 0.000 . . . . . A 10 ILE H . 25382 1 85 . 1 1 10 10 ILE HA H 1 4.723 0.000 . . . . . A 10 ILE HA . 25382 1 86 . 1 1 10 10 ILE HB H 1 1.727 0.000 . . . . . A 10 ILE HB . 25382 1 87 . 1 1 10 10 ILE HG12 H 1 1.154 0.000 . . . . . A 10 ILE HG12 . 25382 1 88 . 1 1 10 10 ILE HG13 H 1 1.154 0.000 . . . . . A 10 ILE HG13 . 25382 1 89 . 1 1 10 10 ILE HG21 H 1 0.693 0.000 . . . . . A 10 ILE HG21 . 25382 1 90 . 1 1 10 10 ILE HG22 H 1 0.693 0.000 . . . . . A 10 ILE HG22 . 25382 1 91 . 1 1 10 10 ILE HG23 H 1 0.693 0.000 . . . . . A 10 ILE HG23 . 25382 1 92 . 1 1 10 10 ILE HD11 H 1 0.570 0.000 . . . . . A 10 ILE HD11 . 25382 1 93 . 1 1 10 10 ILE HD12 H 1 0.570 0.000 . . . . . A 10 ILE HD12 . 25382 1 94 . 1 1 10 10 ILE HD13 H 1 0.570 0.000 . . . . . A 10 ILE HD13 . 25382 1 95 . 1 1 10 10 ILE CA C 13 58.140 0.000 . . . . . A 10 ILE CA . 25382 1 96 . 1 1 10 10 ILE CB C 13 68.558 0.000 . . . . . A 10 ILE CB . 25382 1 97 . 1 1 10 10 ILE CG1 C 13 54.931 0.000 . . . . . A 10 ILE CG1 . 25382 1 98 . 1 1 10 10 ILE CG2 C 13 73.874 0.000 . . . . . A 10 ILE CG2 . 25382 1 99 . 1 1 10 10 ILE CD1 C 13 69.753 0.000 . . . . . A 10 ILE CD1 . 25382 1 100 . 1 1 10 10 ILE N N 15 123.016 0.000 . . . . . A 10 ILE N . 25382 1 101 . 1 1 11 11 ARG H H 1 8.446 0.000 . . . . . A 11 ARG H . 25382 1 102 . 1 1 11 11 ARG HA H 1 4.861 0.000 . . . . . A 11 ARG HA . 25382 1 103 . 1 1 11 11 ARG HB2 H 1 1.685 0.000 . . . . . A 11 ARG HB2 . 25382 1 104 . 1 1 11 11 ARG HB3 H 1 1.819 0.000 . . . . . A 11 ARG HB3 . 25382 1 105 . 1 1 11 11 ARG HG2 H 1 1.611 0.000 . . . . . A 11 ARG HG2 . 25382 1 106 . 1 1 11 11 ARG HG3 H 1 1.486 0.000 . . . . . A 11 ARG HG3 . 25382 1 107 . 1 1 11 11 ARG HD2 H 1 3.024 0.000 . . . . . A 11 ARG HD2 . 25382 1 108 . 1 1 11 11 ARG HD3 H 1 3.111 0.000 . . . . . A 11 ARG HD3 . 25382 1 109 . 1 1 11 11 ARG CA C 13 55.788 0.000 . . . . . A 11 ARG CA . 25382 1 110 . 1 1 11 11 ARG CB C 13 60.330 0.000 . . . . . A 11 ARG CB . 25382 1 111 . 1 1 11 11 ARG CG C 13 55.442 0.000 . . . . . A 11 ARG CG . 25382 1 112 . 1 1 11 11 ARG CD C 13 71.597 0.000 . . . . . A 11 ARG CD . 25382 1 113 . 1 1 11 11 ARG N N 15 125.651 0.000 . . . . . A 11 ARG N . 25382 1 114 . 1 1 12 12 ILE H H 1 8.890 0.000 . . . . . A 12 ILE H . 25382 1 115 . 1 1 12 12 ILE HA H 1 4.866 0.000 . . . . . A 12 ILE HA . 25382 1 116 . 1 1 12 12 ILE HB H 1 1.731 0.000 . . . . . A 12 ILE HB . 25382 1 117 . 1 1 12 12 ILE HG12 H 1 1.618 0.000 . . . . . A 12 ILE HG12 . 25382 1 118 . 1 1 12 12 ILE HG13 H 1 0.753 0.000 . . . . . A 12 ILE HG13 . 25382 1 119 . 1 1 12 12 ILE HG21 H 1 0.610 0.000 . . . . . A 12 ILE HG21 . 25382 1 120 . 1 1 12 12 ILE HG22 H 1 0.610 0.000 . . . . . A 12 ILE HG22 . 25382 1 121 . 1 1 12 12 ILE HG23 H 1 0.610 0.000 . . . . . A 12 ILE HG23 . 25382 1 122 . 1 1 12 12 ILE HD11 H 1 0.587 0.000 . . . . . A 12 ILE HD11 . 25382 1 123 . 1 1 12 12 ILE HD12 H 1 0.587 0.000 . . . . . A 12 ILE HD12 . 25382 1 124 . 1 1 12 12 ILE HD13 H 1 0.587 0.000 . . . . . A 12 ILE HD13 . 25382 1 125 . 1 1 12 12 ILE CA C 13 60.430 0.000 . . . . . A 12 ILE CA . 25382 1 126 . 1 1 12 12 ILE CB C 13 68.105 0.000 . . . . . A 12 ILE CB . 25382 1 127 . 1 1 12 12 ILE CG1 C 13 54.326 0.000 . . . . . A 12 ILE CG1 . 25382 1 128 . 1 1 12 12 ILE CG2 C 13 74.924 0.000 . . . . . A 12 ILE CG2 . 25382 1 129 . 1 1 12 12 ILE CD1 C 13 70.500 0.000 . . . . . A 12 ILE CD1 . 25382 1 130 . 1 1 12 12 ILE N N 15 123.974 0.000 . . . . . A 12 ILE N . 25382 1 131 . 1 1 13 13 THR H H 1 8.214 0.000 . . . . . A 13 THR H . 25382 1 132 . 1 1 13 13 THR HA H 1 5.386 0.000 . . . . . A 13 THR HA . 25382 1 133 . 1 1 13 13 THR HB H 1 4.074 0.000 . . . . . A 13 THR HB . 25382 1 134 . 1 1 13 13 THR HG1 H 1 4.012 0.000 . . . . . A 13 THR HG1 . 25382 1 135 . 1 1 13 13 THR HG21 H 1 1.274 0.000 . . . . . A 13 THR HG21 . 25382 1 136 . 1 1 13 13 THR HG22 H 1 1.274 0.000 . . . . . A 13 THR HG22 . 25382 1 137 . 1 1 13 13 THR HG23 H 1 1.274 0.000 . . . . . A 13 THR HG23 . 25382 1 138 . 1 1 13 13 THR CA C 13 60.384 0.000 . . . . . A 13 THR CA . 25382 1 139 . 1 1 13 13 THR CB C 13 71.410 0.000 . . . . . A 13 THR CB . 25382 1 140 . 1 1 13 13 THR CG2 C 13 49.536 0.000 . . . . . A 13 THR CG2 . 25382 1 141 . 1 1 13 13 THR N N 15 119.889 0.000 . . . . . A 13 THR N . 25382 1 142 . 1 1 14 14 THR H H 1 8.734 0.000 . . . . . A 14 THR H . 25382 1 143 . 1 1 14 14 THR HA H 1 5.287 0.000 . . . . . A 14 THR HA . 25382 1 144 . 1 1 14 14 THR HB H 1 4.157 0.000 . . . . . A 14 THR HB . 25382 1 145 . 1 1 14 14 THR HG21 H 1 0.269 0.000 . . . . . A 14 THR HG21 . 25382 1 146 . 1 1 14 14 THR HG22 H 1 0.269 0.000 . . . . . A 14 THR HG22 . 25382 1 147 . 1 1 14 14 THR HG23 H 1 0.269 0.000 . . . . . A 14 THR HG23 . 25382 1 148 . 1 1 14 14 THR CA C 13 59.790 0.000 . . . . . A 14 THR CA . 25382 1 149 . 1 1 14 14 THR CB C 13 70.925 0.000 . . . . . A 14 THR CB . 25382 1 150 . 1 1 14 14 THR CG2 C 13 49.769 0.000 . . . . . A 14 THR CG2 . 25382 1 151 . 1 1 14 14 THR N N 15 125.798 0.000 . . . . . A 14 THR N . 25382 1 152 . 1 1 15 15 ASN H H 1 8.566 0.000 . . . . . A 15 ASN H . 25382 1 153 . 1 1 15 15 ASN HA H 1 4.708 0.000 . . . . . A 15 ASN HA . 25382 1 154 . 1 1 15 15 ASN HB2 H 1 2.780 0.000 . . . . . A 15 ASN HB2 . 25382 1 155 . 1 1 15 15 ASN HB3 H 1 3.132 0.000 . . . . . A 15 ASN HB3 . 25382 1 156 . 1 1 15 15 ASN HD21 H 1 7.167 0.000 . . . . . A 15 ASN HD21 . 25382 1 157 . 1 1 15 15 ASN HD22 H 1 7.790 0.000 . . . . . A 15 ASN HD22 . 25382 1 158 . 1 1 15 15 ASN CA C 13 54.199 0.000 . . . . . A 15 ASN CA . 25382 1 159 . 1 1 15 15 ASN CB C 13 65.393 0.000 . . . . . A 15 ASN CB . 25382 1 160 . 1 1 15 15 ASN N N 15 117.883 0.000 . . . . . A 15 ASN N . 25382 1 161 . 1 1 15 15 ASN ND2 N 15 125.310 0.000 . . . . . A 15 ASN ND2 . 25382 1 162 . 1 1 16 16 ASP H H 1 7.857 0.000 . . . . . A 16 ASP H . 25382 1 163 . 1 1 16 16 ASP HA H 1 4.724 0.000 . . . . . A 16 ASP HA . 25382 1 164 . 1 1 16 16 ASP HB2 H 1 2.428 0.000 . . . . . A 16 ASP HB2 . 25382 1 165 . 1 1 16 16 ASP HB3 H 1 3.083 0.000 . . . . . A 16 ASP HB3 . 25382 1 166 . 1 1 16 16 ASP CA C 13 52.653 0.000 . . . . . A 16 ASP CA . 25382 1 167 . 1 1 16 16 ASP CB C 13 68.439 0.000 . . . . . A 16 ASP CB . 25382 1 168 . 1 1 16 16 ASP N N 15 116.156 0.000 . . . . . A 16 ASP N . 25382 1 169 . 1 1 17 17 GLY H H 1 7.651 0.000 . . . . . A 17 GLY H . 25382 1 170 . 1 1 17 17 GLY HA2 H 1 4.167 0.000 . . . . . A 17 GLY HA2 . 25382 1 171 . 1 1 17 17 GLY HA3 H 1 3.670 0.000 . . . . . A 17 GLY HA3 . 25382 1 172 . 1 1 17 17 GLY CA C 13 73.920 0.000 . . . . . A 17 GLY CA . 25382 1 173 . 1 1 17 17 GLY N N 15 118.313 0.000 . . . . . A 17 GLY N . 25382 1 174 . 1 1 18 18 ARG H H 1 7.383 0.000 . . . . . A 18 ARG H . 25382 1 175 . 1 1 18 18 ARG HA H 1 4.627 0.000 . . . . . A 18 ARG HA . 25382 1 176 . 1 1 18 18 ARG HB2 H 1 1.824 0.000 . . . . . A 18 ARG HB2 . 25382 1 177 . 1 1 18 18 ARG HB3 H 1 1.824 0.000 . . . . . A 18 ARG HB3 . 25382 1 178 . 1 1 18 18 ARG HG2 H 1 1.707 0.000 . . . . . A 18 ARG HG2 . 25382 1 179 . 1 1 18 18 ARG HG3 H 1 1.468 0.000 . . . . . A 18 ARG HG3 . 25382 1 180 . 1 1 18 18 ARG HD2 H 1 3.155 0.000 . . . . . A 18 ARG HD2 . 25382 1 181 . 1 1 18 18 ARG HD3 H 1 3.302 0.000 . . . . . A 18 ARG HD3 . 25382 1 182 . 1 1 18 18 ARG HE H 1 8.169 0.000 . . . . . A 18 ARG HE . 25382 1 183 . 1 1 18 18 ARG HH11 H 1 6.487 0.000 . . . . . A 18 ARG HH11 . 25382 1 184 . 1 1 18 18 ARG HH12 H 1 6.487 0.000 . . . . . A 18 ARG HH12 . 25382 1 185 . 1 1 18 18 ARG HH21 H 1 7.000 0.000 . . . . . A 18 ARG HH21 . 25382 1 186 . 1 1 18 18 ARG HH22 H 1 7.254 0.000 . . . . . A 18 ARG HH22 . 25382 1 187 . 1 1 18 18 ARG CA C 13 55.843 0.000 . . . . . A 18 ARG CA . 25382 1 188 . 1 1 18 18 ARG CB C 13 61.281 0.000 . . . . . A 18 ARG CB . 25382 1 189 . 1 1 18 18 ARG CG C 13 54.953 0.000 . . . . . A 18 ARG CG . 25382 1 190 . 1 1 18 18 ARG CD C 13 72.011 0.000 . . . . . A 18 ARG CD . 25382 1 191 . 1 1 18 18 ARG N N 15 119.707 0.000 . . . . . A 18 ARG N . 25382 1 192 . 1 1 18 18 ARG NE N 15 122.099 0.000 . . . . . A 18 ARG NE . 25382 1 193 . 1 1 19 19 GLN H H 1 8.571 0.000 . . . . . A 19 GLN H . 25382 1 194 . 1 1 19 19 GLN HA H 1 5.714 0.000 . . . . . A 19 GLN HA . 25382 1 195 . 1 1 19 19 GLN HB2 H 1 2.050 0.000 . . . . . A 19 GLN HB2 . 25382 1 196 . 1 1 19 19 GLN HB3 H 1 2.109 0.000 . . . . . A 19 GLN HB3 . 25382 1 197 . 1 1 19 19 GLN HG2 H 1 2.310 0.000 . . . . . A 19 GLN HG2 . 25382 1 198 . 1 1 19 19 GLN HG3 H 1 2.310 0.000 . . . . . A 19 GLN HG3 . 25382 1 199 . 1 1 19 19 GLN HE21 H 1 6.813 0.000 . . . . . A 19 GLN HE21 . 25382 1 200 . 1 1 19 19 GLN HE22 H 1 7.556 0.000 . . . . . A 19 GLN HE22 . 25382 1 201 . 1 1 19 19 GLN CA C 13 54.693 0.000 . . . . . A 19 GLN CA . 25382 1 202 . 1 1 19 19 GLN CB C 13 60.945 0.000 . . . . . A 19 GLN CB . 25382 1 203 . 1 1 19 19 GLN CG C 13 61.412 0.000 . . . . . A 19 GLN CG . 25382 1 204 . 1 1 19 19 GLN N N 15 117.857 0.000 . . . . . A 19 GLN N . 25382 1 205 . 1 1 19 19 GLN NE2 N 15 123.810 0.000 . . . . . A 19 GLN NE2 . 25382 1 206 . 1 1 20 20 SER H H 1 9.086 0.000 . . . . . A 20 SER H . 25382 1 207 . 1 1 20 20 SER HA H 1 4.600 0.000 . . . . . A 20 SER HA . 25382 1 208 . 1 1 20 20 SER HB2 H 1 3.340 0.000 . . . . . A 20 SER HB2 . 25382 1 209 . 1 1 20 20 SER HB3 H 1 3.698 0.000 . . . . . A 20 SER HB3 . 25382 1 210 . 1 1 20 20 SER CA C 13 57.217 0.000 . . . . . A 20 SER CA . 25382 1 211 . 1 1 20 20 SER CB C 13 65.892 0.000 . . . . . A 20 SER CB . 25382 1 212 . 1 1 20 20 SER N N 15 116.086 0.000 . . . . . A 20 SER N . 25382 1 213 . 1 1 21 21 MET H H 1 8.476 0.000 . . . . . A 21 MET H . 25382 1 214 . 1 1 21 21 MET HA H 1 5.366 0.000 . . . . . A 21 MET HA . 25382 1 215 . 1 1 21 21 MET HB2 H 1 1.894 0.000 . . . . . A 21 MET HB2 . 25382 1 216 . 1 1 21 21 MET HB3 H 1 1.894 0.000 . . . . . A 21 MET HB3 . 25382 1 217 . 1 1 21 21 MET HG2 H 1 2.396 0.000 . . . . . A 21 MET HG2 . 25382 1 218 . 1 1 21 21 MET HG3 H 1 2.396 0.000 . . . . . A 21 MET HG3 . 25382 1 219 . 1 1 21 21 MET HE1 H 1 1.900 0.000 . . . . . A 21 MET HE1 . 25382 1 220 . 1 1 21 21 MET HE2 H 1 1.900 0.000 . . . . . A 21 MET HE2 . 25382 1 221 . 1 1 21 21 MET HE3 H 1 1.900 0.000 . . . . . A 21 MET HE3 . 25382 1 222 . 1 1 21 21 MET CA C 13 54.020 0.000 . . . . . A 21 MET CA . 25382 1 223 . 1 1 21 21 MET CB C 13 61.689 0.000 . . . . . A 21 MET CB . 25382 1 224 . 1 1 21 21 MET CG C 13 59.446 0.000 . . . . . A 21 MET CG . 25382 1 225 . 1 1 21 21 MET CE C 13 72.483 0.000 . . . . . A 21 MET CE . 25382 1 226 . 1 1 21 21 MET N N 15 122.645 0.000 . . . . . A 21 MET N . 25382 1 227 . 1 1 22 22 VAL H H 1 8.910 0.000 . . . . . A 22 VAL H . 25382 1 228 . 1 1 22 22 VAL HA H 1 4.452 0.000 . . . . . A 22 VAL HA . 25382 1 229 . 1 1 22 22 VAL HB H 1 1.837 0.000 . . . . . A 22 VAL HB . 25382 1 230 . 1 1 22 22 VAL HG11 H 1 0.705 0.000 . . . . . A 22 VAL HG11 . 25382 1 231 . 1 1 22 22 VAL HG12 H 1 0.705 0.000 . . . . . A 22 VAL HG12 . 25382 1 232 . 1 1 22 22 VAL HG13 H 1 0.705 0.000 . . . . . A 22 VAL HG13 . 25382 1 233 . 1 1 22 22 VAL HG21 H 1 0.691 0.000 . . . . . A 22 VAL HG21 . 25382 1 234 . 1 1 22 22 VAL HG22 H 1 0.691 0.000 . . . . . A 22 VAL HG22 . 25382 1 235 . 1 1 22 22 VAL HG23 H 1 0.691 0.000 . . . . . A 22 VAL HG23 . 25382 1 236 . 1 1 22 22 VAL CA C 13 60.203 0.000 . . . . . A 22 VAL CA . 25382 1 237 . 1 1 22 22 VAL CB C 13 63.106 0.000 . . . . . A 22 VAL CB . 25382 1 238 . 1 1 22 22 VAL CG1 C 13 49.226 0.000 . . . . . A 22 VAL CG1 . 25382 1 239 . 1 1 22 22 VAL CG2 C 13 76.263 0.000 . . . . . A 22 VAL CG2 . 25382 1 240 . 1 1 22 22 VAL N N 15 121.894 0.000 . . . . . A 22 VAL N . 25382 1 241 . 1 1 23 23 THR H H 1 8.595 0.000 . . . . . A 23 THR H . 25382 1 242 . 1 1 23 23 THR HA H 1 4.716 0.000 . . . . . A 23 THR HA . 25382 1 243 . 1 1 23 23 THR HB H 1 3.924 0.000 . . . . . A 23 THR HB . 25382 1 244 . 1 1 23 23 THR HG21 H 1 1.025 0.000 . . . . . A 23 THR HG21 . 25382 1 245 . 1 1 23 23 THR HG22 H 1 1.025 0.000 . . . . . A 23 THR HG22 . 25382 1 246 . 1 1 23 23 THR HG23 H 1 1.025 0.000 . . . . . A 23 THR HG23 . 25382 1 247 . 1 1 23 23 THR CA C 13 62.179 0.000 . . . . . A 23 THR CA . 25382 1 248 . 1 1 23 23 THR CB C 13 69.100 0.000 . . . . . A 23 THR CB . 25382 1 249 . 1 1 23 23 THR CG2 C 13 50.162 0.000 . . . . . A 23 THR CG2 . 25382 1 250 . 1 1 23 23 THR N N 15 120.969 0.000 . . . . . A 23 THR N . 25382 1 251 . 1 1 24 24 LEU H H 1 9.293 0.000 . . . . . A 24 LEU H . 25382 1 252 . 1 1 24 24 LEU HA H 1 4.657 0.000 . . . . . A 24 LEU HA . 25382 1 253 . 1 1 24 24 LEU HB2 H 1 1.722 0.000 . . . . . A 24 LEU HB2 . 25382 1 254 . 1 1 24 24 LEU HB3 H 1 1.523 0.000 . . . . . A 24 LEU HB3 . 25382 1 255 . 1 1 24 24 LEU HG H 1 0.681 0.000 . . . . . A 24 LEU HG . 25382 1 256 . 1 1 24 24 LEU HD11 H 1 0.756 0.000 . . . . . A 24 LEU HD11 . 25382 1 257 . 1 1 24 24 LEU HD12 H 1 0.756 0.000 . . . . . A 24 LEU HD12 . 25382 1 258 . 1 1 24 24 LEU HD13 H 1 0.756 0.000 . . . . . A 24 LEU HD13 . 25382 1 259 . 1 1 24 24 LEU HD21 H 1 0.756 0.000 . . . . . A 24 LEU HD21 . 25382 1 260 . 1 1 24 24 LEU HD22 H 1 0.756 0.000 . . . . . A 24 LEU HD22 . 25382 1 261 . 1 1 24 24 LEU HD23 H 1 0.756 0.000 . . . . . A 24 LEU HD23 . 25382 1 262 . 1 1 24 24 LEU CA C 13 52.819 0.000 . . . . . A 24 LEU CA . 25382 1 263 . 1 1 24 24 LEU CB C 13 71.796 0.000 . . . . . A 24 LEU CB . 25382 1 264 . 1 1 24 24 LEU CG C 13 54.381 0.000 . . . . . A 24 LEU CG . 25382 1 265 . 1 1 24 24 LEU CD1 C 13 50.938 0.000 . . . . . A 24 LEU CD1 . 25382 1 266 . 1 1 24 24 LEU CD2 C 13 50.938 0.000 . . . . . A 24 LEU CD2 . 25382 1 267 . 1 1 24 24 LEU N N 15 116.072 0.000 . . . . . A 24 LEU N . 25382 1 268 . 1 1 25 25 LYS H H 1 8.465 0.000 . . . . . A 25 LYS H . 25382 1 269 . 1 1 25 25 LYS HA H 1 4.684 0.000 . . . . . A 25 LYS HA . 25382 1 270 . 1 1 25 25 LYS HB2 H 1 1.808 0.000 . . . . . A 25 LYS HB2 . 25382 1 271 . 1 1 25 25 LYS HB3 H 1 2.009 0.000 . . . . . A 25 LYS HB3 . 25382 1 272 . 1 1 25 25 LYS HG2 H 1 1.487 0.000 . . . . . A 25 LYS HG2 . 25382 1 273 . 1 1 25 25 LYS HG3 H 1 1.487 0.000 . . . . . A 25 LYS HG3 . 25382 1 274 . 1 1 25 25 LYS HD2 H 1 1.648 0.000 . . . . . A 25 LYS HD2 . 25382 1 275 . 1 1 25 25 LYS HD3 H 1 1.648 0.000 . . . . . A 25 LYS HD3 . 25382 1 276 . 1 1 25 25 LYS HE2 H 1 2.951 0.000 . . . . . A 25 LYS HE2 . 25382 1 277 . 1 1 25 25 LYS HE3 H 1 2.951 0.000 . . . . . A 25 LYS HE3 . 25382 1 278 . 1 1 25 25 LYS CA C 13 55.578 0.000 . . . . . A 25 LYS CA . 25382 1 279 . 1 1 25 25 LYS CB C 13 61.903 0.000 . . . . . A 25 LYS CB . 25382 1 280 . 1 1 25 25 LYS CG C 13 53.108 0.000 . . . . . A 25 LYS CG . 25382 1 281 . 1 1 25 25 LYS CD C 13 57.206 0.000 . . . . . A 25 LYS CD . 25382 1 282 . 1 1 25 25 LYS CE C 13 70.106 0.000 . . . . . A 25 LYS CE . 25382 1 283 . 1 1 25 25 LYS N N 15 119.011 0.000 . . . . . A 25 LYS N . 25382 1 284 . 1 1 26 26 SER HA H 1 3.938 0.000 . . . . . A 26 SER HA . 25382 1 285 . 1 1 26 26 SER HB2 H 1 3.902 0.000 . . . . . A 26 SER HB2 . 25382 1 286 . 1 1 26 26 SER HB3 H 1 3.936 0.000 . . . . . A 26 SER HB3 . 25382 1 287 . 1 1 26 26 SER CA C 13 62.044 0.000 . . . . . A 26 SER CA . 25382 1 288 . 1 1 26 26 SER CB C 13 62.438 0.000 . . . . . A 26 SER CB . 25382 1 289 . 1 1 27 27 SER HA H 1 4.361 0.000 . . . . . A 27 SER HA . 25382 1 290 . 1 1 27 27 SER HB2 H 1 3.707 0.000 . . . . . A 27 SER HB2 . 25382 1 291 . 1 1 27 27 SER HB3 H 1 4.093 0.000 . . . . . A 27 SER HB3 . 25382 1 292 . 1 1 27 27 SER CA C 13 57.663 0.000 . . . . . A 27 SER CA . 25382 1 293 . 1 1 27 27 SER CB C 13 63.870 0.000 . . . . . A 27 SER CB . 25382 1 294 . 1 1 28 28 THR H H 1 7.452 0.000 . . . . . A 28 THR H . 25382 1 295 . 1 1 28 28 THR HA H 1 4.322 0.000 . . . . . A 28 THR HA . 25382 1 296 . 1 1 28 28 THR HB H 1 3.971 0.000 . . . . . A 28 THR HB . 25382 1 297 . 1 1 28 28 THR HG1 H 1 6.291 0.000 . . . . . A 28 THR HG1 . 25382 1 298 . 1 1 28 28 THR HG21 H 1 1.361 0.000 . . . . . A 28 THR HG21 . 25382 1 299 . 1 1 28 28 THR HG22 H 1 1.361 0.000 . . . . . A 28 THR HG22 . 25382 1 300 . 1 1 28 28 THR HG23 H 1 1.361 0.000 . . . . . A 28 THR HG23 . 25382 1 301 . 1 1 28 28 THR CA C 13 65.387 0.000 . . . . . A 28 THR CA . 25382 1 302 . 1 1 28 28 THR CB C 13 70.104 0.000 . . . . . A 28 THR CB . 25382 1 303 . 1 1 28 28 THR CG2 C 13 50.147 0.000 . . . . . A 28 THR CG2 . 25382 1 304 . 1 1 28 28 THR N N 15 119.981 0.000 . . . . . A 28 THR N . 25382 1 305 . 1 1 29 29 THR H H 1 8.663 0.000 . . . . . A 29 THR H . 25382 1 306 . 1 1 29 29 THR HA H 1 4.691 0.000 . . . . . A 29 THR HA . 25382 1 307 . 1 1 29 29 THR HB H 1 4.909 0.000 . . . . . A 29 THR HB . 25382 1 308 . 1 1 29 29 THR HG1 H 1 5.896 0.000 . . . . . A 29 THR HG1 . 25382 1 309 . 1 1 29 29 THR HG21 H 1 1.290 0.000 . . . . . A 29 THR HG21 . 25382 1 310 . 1 1 29 29 THR HG22 H 1 1.290 0.000 . . . . . A 29 THR HG22 . 25382 1 311 . 1 1 29 29 THR HG23 H 1 1.290 0.000 . . . . . A 29 THR HG23 . 25382 1 312 . 1 1 29 29 THR CA C 13 60.453 0.000 . . . . . A 29 THR CA . 25382 1 313 . 1 1 29 29 THR CB C 13 72.361 0.000 . . . . . A 29 THR CB . 25382 1 314 . 1 1 29 29 THR CG2 C 13 50.276 0.000 . . . . . A 29 THR CG2 . 25382 1 315 . 1 1 29 29 THR N N 15 120.236 0.000 . . . . . A 29 THR N . 25382 1 316 . 1 1 30 30 PHE H H 1 9.725 0.000 . . . . . A 30 PHE H . 25382 1 317 . 1 1 30 30 PHE HA H 1 3.714 0.000 . . . . . A 30 PHE HA . 25382 1 318 . 1 1 30 30 PHE HB2 H 1 2.765 0.000 . . . . . A 30 PHE HB2 . 25382 1 319 . 1 1 30 30 PHE HB3 H 1 3.068 0.000 . . . . . A 30 PHE HB3 . 25382 1 320 . 1 1 30 30 PHE HD1 H 1 6.749 0.000 . . . . . A 30 PHE HD1 . 25382 1 321 . 1 1 30 30 PHE HD2 H 1 6.749 0.000 . . . . . A 30 PHE HD2 . 25382 1 322 . 1 1 30 30 PHE HE1 H 1 7.060 0.000 . . . . . A 30 PHE HE1 . 25382 1 323 . 1 1 30 30 PHE HE2 H 1 7.060 0.000 . . . . . A 30 PHE HE2 . 25382 1 324 . 1 1 30 30 PHE HZ H 1 7.245 0.000 . . . . . A 30 PHE HZ . 25382 1 325 . 1 1 30 30 PHE CA C 13 63.065 0.000 . . . . . A 30 PHE CA . 25382 1 326 . 1 1 30 30 PHE CB C 13 67.562 0.000 . . . . . A 30 PHE CB . 25382 1 327 . 1 1 30 30 PHE CD1 C 13 75.207 0.000 . . . . . A 30 PHE CD1 . 25382 1 328 . 1 1 30 30 PHE CD2 C 13 75.207 0.000 . . . . . A 30 PHE CD2 . 25382 1 329 . 1 1 30 30 PHE CE1 C 13 75.559 0.000 . . . . . A 30 PHE CE1 . 25382 1 330 . 1 1 30 30 PHE CE2 C 13 75.559 0.000 . . . . . A 30 PHE CE2 . 25382 1 331 . 1 1 30 30 PHE CZ C 13 74.035 0.000 . . . . . A 30 PHE CZ . 25382 1 332 . 1 1 30 30 PHE N N 15 122.822 0.000 . . . . . A 30 PHE N . 25382 1 333 . 1 1 31 31 PHE H H 1 8.315 0.000 . . . . . A 31 PHE H . 25382 1 334 . 1 1 31 31 PHE HA H 1 4.360 0.000 . . . . . A 31 PHE HA . 25382 1 335 . 1 1 31 31 PHE HB2 H 1 3.154 0.000 . . . . . A 31 PHE HB2 . 25382 1 336 . 1 1 31 31 PHE HB3 H 1 3.199 0.000 . . . . . A 31 PHE HB3 . 25382 1 337 . 1 1 31 31 PHE HD1 H 1 7.391 0.000 . . . . . A 31 PHE HD1 . 25382 1 338 . 1 1 31 31 PHE HD2 H 1 7.391 0.000 . . . . . A 31 PHE HD2 . 25382 1 339 . 1 1 31 31 PHE HE1 H 1 7.427 0.000 . . . . . A 31 PHE HE1 . 25382 1 340 . 1 1 31 31 PHE HE2 H 1 7.427 0.000 . . . . . A 31 PHE HE2 . 25382 1 341 . 1 1 31 31 PHE HZ H 1 7.376 0.000 . . . . . A 31 PHE HZ . 25382 1 342 . 1 1 31 31 PHE CA C 13 60.479 0.000 . . . . . A 31 PHE CA . 25382 1 343 . 1 1 31 31 PHE CB C 13 66.849 0.000 . . . . . A 31 PHE CB . 25382 1 344 . 1 1 31 31 PHE CD1 C 13 75.747 0.000 . . . . . A 31 PHE CD1 . 25382 1 345 . 1 1 31 31 PHE CD2 C 13 75.747 0.000 . . . . . A 31 PHE CD2 . 25382 1 346 . 1 1 31 31 PHE CE1 C 13 75.783 0.000 . . . . . A 31 PHE CE1 . 25382 1 347 . 1 1 31 31 PHE CE2 C 13 75.783 0.000 . . . . . A 31 PHE CE2 . 25382 1 348 . 1 1 31 31 PHE CZ C 13 74.452 0.000 . . . . . A 31 PHE CZ . 25382 1 349 . 1 1 31 31 PHE N N 15 117.555 0.000 . . . . . A 31 PHE N . 25382 1 350 . 1 1 32 32 GLU H H 1 7.649 0.000 . . . . . A 32 GLU H . 25382 1 351 . 1 1 32 32 GLU HA H 1 3.960 0.000 . . . . . A 32 GLU HA . 25382 1 352 . 1 1 32 32 GLU HB2 H 1 1.988 0.000 . . . . . A 32 GLU HB2 . 25382 1 353 . 1 1 32 32 GLU HB3 H 1 2.357 0.000 . . . . . A 32 GLU HB3 . 25382 1 354 . 1 1 32 32 GLU HG2 H 1 2.331 0.000 . . . . . A 32 GLU HG2 . 25382 1 355 . 1 1 32 32 GLU HG3 H 1 2.433 0.000 . . . . . A 32 GLU HG3 . 25382 1 356 . 1 1 32 32 GLU CA C 13 58.855 0.000 . . . . . A 32 GLU CA . 25382 1 357 . 1 1 32 32 GLU CB C 13 58.480 0.000 . . . . . A 32 GLU CB . 25382 1 358 . 1 1 32 32 GLU CG C 13 65.603 0.000 . . . . . A 32 GLU CG . 25382 1 359 . 1 1 32 32 GLU N N 15 119.405 0.000 . . . . . A 32 GLU N . 25382 1 360 . 1 1 33 33 LEU H H 1 8.554 0.000 . . . . . A 33 LEU H . 25382 1 361 . 1 1 33 33 LEU HA H 1 3.896 0.000 . . . . . A 33 LEU HA . 25382 1 362 . 1 1 33 33 LEU HB2 H 1 2.036 0.000 . . . . . A 33 LEU HB2 . 25382 1 363 . 1 1 33 33 LEU HB3 H 1 1.127 0.000 . . . . . A 33 LEU HB3 . 25382 1 364 . 1 1 33 33 LEU HG H 1 1.261 0.000 . . . . . A 33 LEU HG . 25382 1 365 . 1 1 33 33 LEU HD11 H 1 0.604 0.000 . . . . . A 33 LEU HD11 . 25382 1 366 . 1 1 33 33 LEU HD12 H 1 0.604 0.000 . . . . . A 33 LEU HD12 . 25382 1 367 . 1 1 33 33 LEU HD13 H 1 0.604 0.000 . . . . . A 33 LEU HD13 . 25382 1 368 . 1 1 33 33 LEU HD21 H 1 0.682 0.000 . . . . . A 33 LEU HD21 . 25382 1 369 . 1 1 33 33 LEU HD22 H 1 0.682 0.000 . . . . . A 33 LEU HD22 . 25382 1 370 . 1 1 33 33 LEU HD23 H 1 0.682 0.000 . . . . . A 33 LEU HD23 . 25382 1 371 . 1 1 33 33 LEU CA C 13 58.128 0.000 . . . . . A 33 LEU CA . 25382 1 372 . 1 1 33 33 LEU CB C 13 69.053 0.000 . . . . . A 33 LEU CB . 25382 1 373 . 1 1 33 33 LEU CG C 13 54.877 0.000 . . . . . A 33 LEU CG . 25382 1 374 . 1 1 33 33 LEU CD1 C 13 55.308 0.000 . . . . . A 33 LEU CD1 . 25382 1 375 . 1 1 33 33 LEU CD2 C 13 50.814 0.000 . . . . . A 33 LEU CD2 . 25382 1 376 . 1 1 33 33 LEU N N 15 123.618 0.000 . . . . . A 33 LEU N . 25382 1 377 . 1 1 34 34 GLN H H 1 8.039 0.000 . . . . . A 34 GLN H . 25382 1 378 . 1 1 34 34 GLN HA H 1 4.260 0.000 . . . . . A 34 GLN HA . 25382 1 379 . 1 1 34 34 GLN HB2 H 1 1.436 0.000 . . . . . A 34 GLN HB2 . 25382 1 380 . 1 1 34 34 GLN HB3 H 1 2.208 0.000 . . . . . A 34 GLN HB3 . 25382 1 381 . 1 1 34 34 GLN HG2 H 1 1.628 0.000 . . . . . A 34 GLN HG2 . 25382 1 382 . 1 1 34 34 GLN HG3 H 1 1.653 0.000 . . . . . A 34 GLN HG3 . 25382 1 383 . 1 1 34 34 GLN HE21 H 1 6.465 0.000 . . . . . A 34 GLN HE21 . 25382 1 384 . 1 1 34 34 GLN HE22 H 1 6.630 0.000 . . . . . A 34 GLN HE22 . 25382 1 385 . 1 1 34 34 GLN CA C 13 59.962 0.000 . . . . . A 34 GLN CA . 25382 1 386 . 1 1 34 34 GLN CB C 13 57.616 0.000 . . . . . A 34 GLN CB . 25382 1 387 . 1 1 34 34 GLN CG C 13 62.727 0.000 . . . . . A 34 GLN CG . 25382 1 388 . 1 1 34 34 GLN N N 15 116.546 0.000 . . . . . A 34 GLN N . 25382 1 389 . 1 1 34 34 GLN NE2 N 15 124.715 0.000 . . . . . A 34 GLN NE2 . 25382 1 390 . 1 1 35 35 GLU H H 1 7.987 0.000 . . . . . A 35 GLU H . 25382 1 391 . 1 1 35 35 GLU HA H 1 3.933 0.000 . . . . . A 35 GLU HA . 25382 1 392 . 1 1 35 35 GLU HB2 H 1 1.993 0.000 . . . . . A 35 GLU HB2 . 25382 1 393 . 1 1 35 35 GLU HB3 H 1 1.993 0.000 . . . . . A 35 GLU HB3 . 25382 1 394 . 1 1 35 35 GLU HG2 H 1 2.157 0.000 . . . . . A 35 GLU HG2 . 25382 1 395 . 1 1 35 35 GLU HG3 H 1 1.984 0.000 . . . . . A 35 GLU HG3 . 25382 1 396 . 1 1 35 35 GLU CA C 13 59.440 0.000 . . . . . A 35 GLU CA . 25382 1 397 . 1 1 35 35 GLU CB C 13 57.435 0.000 . . . . . A 35 GLU CB . 25382 1 398 . 1 1 35 35 GLU CG C 13 64.538 0.000 . . . . . A 35 GLU CG . 25382 1 399 . 1 1 35 35 GLU N N 15 120.490 0.000 . . . . . A 35 GLU N . 25382 1 400 . 1 1 36 36 SER H H 1 8.095 0.000 . . . . . A 36 SER H . 25382 1 401 . 1 1 36 36 SER HA H 1 4.143 0.000 . . . . . A 36 SER HA . 25382 1 402 . 1 1 36 36 SER HB2 H 1 3.828 0.000 . . . . . A 36 SER HB2 . 25382 1 403 . 1 1 36 36 SER HB3 H 1 3.990 0.000 . . . . . A 36 SER HB3 . 25382 1 404 . 1 1 36 36 SER CA C 13 62.557 0.000 . . . . . A 36 SER CA . 25382 1 405 . 1 1 36 36 SER CB C 13 62.630 0.000 . . . . . A 36 SER CB . 25382 1 406 . 1 1 36 36 SER N N 15 117.702 0.000 . . . . . A 36 SER N . 25382 1 407 . 1 1 37 37 ILE H H 1 8.164 0.000 . . . . . A 37 ILE H . 25382 1 408 . 1 1 37 37 ILE HA H 1 3.432 0.000 . . . . . A 37 ILE HA . 25382 1 409 . 1 1 37 37 ILE HB H 1 1.849 0.000 . . . . . A 37 ILE HB . 25382 1 410 . 1 1 37 37 ILE HG12 H 1 1.700 0.000 . . . . . A 37 ILE HG12 . 25382 1 411 . 1 1 37 37 ILE HG13 H 1 0.747 0.000 . . . . . A 37 ILE HG13 . 25382 1 412 . 1 1 37 37 ILE HG21 H 1 0.767 0.000 . . . . . A 37 ILE HG21 . 25382 1 413 . 1 1 37 37 ILE HG22 H 1 0.767 0.000 . . . . . A 37 ILE HG22 . 25382 1 414 . 1 1 37 37 ILE HG23 H 1 0.767 0.000 . . . . . A 37 ILE HG23 . 25382 1 415 . 1 1 37 37 ILE HD11 H 1 0.596 0.000 . . . . . A 37 ILE HD11 . 25382 1 416 . 1 1 37 37 ILE HD12 H 1 0.596 0.000 . . . . . A 37 ILE HD12 . 25382 1 417 . 1 1 37 37 ILE HD13 H 1 0.596 0.000 . . . . . A 37 ILE HD13 . 25382 1 418 . 1 1 37 37 ILE CA C 13 65.580 0.000 . . . . . A 37 ILE CA . 25382 1 419 . 1 1 37 37 ILE CB C 13 65.935 0.000 . . . . . A 37 ILE CB . 25382 1 420 . 1 1 37 37 ILE CG1 C 13 58.323 0.000 . . . . . A 37 ILE CG1 . 25382 1 421 . 1 1 37 37 ILE CG2 C 13 74.257 0.000 . . . . . A 37 ILE CG2 . 25382 1 422 . 1 1 37 37 ILE CD1 C 13 70.721 0.000 . . . . . A 37 ILE CD1 . 25382 1 423 . 1 1 37 37 ILE N N 15 122.697 0.000 . . . . . A 37 ILE N . 25382 1 424 . 1 1 38 38 ALA H H 1 8.263 0.000 . . . . . A 38 ALA H . 25382 1 425 . 1 1 38 38 ALA HA H 1 3.998 0.000 . . . . . A 38 ALA HA . 25382 1 426 . 1 1 38 38 ALA HB1 H 1 1.375 0.000 . . . . . A 38 ALA HB1 . 25382 1 427 . 1 1 38 38 ALA HB2 H 1 1.375 0.000 . . . . . A 38 ALA HB2 . 25382 1 428 . 1 1 38 38 ALA HB3 H 1 1.375 0.000 . . . . . A 38 ALA HB3 . 25382 1 429 . 1 1 38 38 ALA CA C 13 55.877 0.000 . . . . . A 38 ALA CA . 25382 1 430 . 1 1 38 38 ALA CB C 13 74.478 0.000 . . . . . A 38 ALA CB . 25382 1 431 . 1 1 38 38 ALA N N 15 123.583 0.000 . . . . . A 38 ALA N . 25382 1 432 . 1 1 39 39 ARG H H 1 8.006 0.000 . . . . . A 39 ARG H . 25382 1 433 . 1 1 39 39 ARG HA H 1 3.993 0.000 . . . . . A 39 ARG HA . 25382 1 434 . 1 1 39 39 ARG HB2 H 1 1.881 0.000 . . . . . A 39 ARG HB2 . 25382 1 435 . 1 1 39 39 ARG HB3 H 1 1.881 0.000 . . . . . A 39 ARG HB3 . 25382 1 436 . 1 1 39 39 ARG HG2 H 1 1.541 0.000 . . . . . A 39 ARG HG2 . 25382 1 437 . 1 1 39 39 ARG HG3 H 1 1.732 0.000 . . . . . A 39 ARG HG3 . 25382 1 438 . 1 1 39 39 ARG HD2 H 1 3.187 0.000 . . . . . A 39 ARG HD2 . 25382 1 439 . 1 1 39 39 ARG HD3 H 1 3.187 0.000 . . . . . A 39 ARG HD3 . 25382 1 440 . 1 1 39 39 ARG HE H 1 7.396 0.000 . . . . . A 39 ARG HE . 25382 1 441 . 1 1 39 39 ARG CA C 13 58.852 0.000 . . . . . A 39 ARG CA . 25382 1 442 . 1 1 39 39 ARG CB C 13 58.363 0.000 . . . . . A 39 ARG CB . 25382 1 443 . 1 1 39 39 ARG CG C 13 55.587 0.000 . . . . . A 39 ARG CG . 25382 1 444 . 1 1 39 39 ARG CD C 13 71.400 0.000 . . . . . A 39 ARG CD . 25382 1 445 . 1 1 39 39 ARG N N 15 118.128 0.000 . . . . . A 39 ARG N . 25382 1 446 . 1 1 39 39 ARG NE N 15 121.219 0.000 . . . . . A 39 ARG NE . 25382 1 447 . 1 1 40 40 GLU H H 1 7.773 0.000 . . . . . A 40 GLU H . 25382 1 448 . 1 1 40 40 GLU HA H 1 3.883 0.000 . . . . . A 40 GLU HA . 25382 1 449 . 1 1 40 40 GLU HB2 H 1 1.565 0.000 . . . . . A 40 GLU HB2 . 25382 1 450 . 1 1 40 40 GLU HB3 H 1 1.183 0.000 . . . . . A 40 GLU HB3 . 25382 1 451 . 1 1 40 40 GLU HG2 H 1 1.257 0.000 . . . . . A 40 GLU HG2 . 25382 1 452 . 1 1 40 40 GLU HG3 H 1 1.709 0.000 . . . . . A 40 GLU HG3 . 25382 1 453 . 1 1 40 40 GLU CA C 13 57.989 0.000 . . . . . A 40 GLU CA . 25382 1 454 . 1 1 40 40 GLU CB C 13 57.917 0.000 . . . . . A 40 GLU CB . 25382 1 455 . 1 1 40 40 GLU CG C 13 62.754 0.000 . . . . . A 40 GLU CG . 25382 1 456 . 1 1 40 40 GLU N N 15 117.131 0.000 . . . . . A 40 GLU N . 25382 1 457 . 1 1 41 41 PHE H H 1 8.086 0.000 . . . . . A 41 PHE H . 25382 1 458 . 1 1 41 41 PHE HA H 1 4.847 0.000 . . . . . A 41 PHE HA . 25382 1 459 . 1 1 41 41 PHE HB2 H 1 3.206 0.000 . . . . . A 41 PHE HB2 . 25382 1 460 . 1 1 41 41 PHE HB3 H 1 2.488 0.000 . . . . . A 41 PHE HB3 . 25382 1 461 . 1 1 41 41 PHE HD1 H 1 7.113 0.000 . . . . . A 41 PHE HD1 . 25382 1 462 . 1 1 41 41 PHE HD2 H 1 7.113 0.000 . . . . . A 41 PHE HD2 . 25382 1 463 . 1 1 41 41 PHE HE1 H 1 6.894 0.000 . . . . . A 41 PHE HE1 . 25382 1 464 . 1 1 41 41 PHE HE2 H 1 6.894 0.000 . . . . . A 41 PHE HE2 . 25382 1 465 . 1 1 41 41 PHE HZ H 1 6.949 0.000 . . . . . A 41 PHE HZ . 25382 1 466 . 1 1 41 41 PHE CA C 13 56.120 0.000 . . . . . A 41 PHE CA . 25382 1 467 . 1 1 41 41 PHE CB C 13 69.756 0.000 . . . . . A 41 PHE CB . 25382 1 468 . 1 1 41 41 PHE CD1 C 13 75.027 0.000 . . . . . A 41 PHE CD1 . 25382 1 469 . 1 1 41 41 PHE CD2 C 13 75.027 0.000 . . . . . A 41 PHE CD2 . 25382 1 470 . 1 1 41 41 PHE CE1 C 13 74.733 0.000 . . . . . A 41 PHE CE1 . 25382 1 471 . 1 1 41 41 PHE CE2 C 13 74.733 0.000 . . . . . A 41 PHE CE2 . 25382 1 472 . 1 1 41 41 PHE CZ C 13 73.481 0.000 . . . . . A 41 PHE CZ . 25382 1 473 . 1 1 41 41 PHE N N 15 122.915 0.000 . . . . . A 41 PHE N . 25382 1 474 . 1 1 42 42 ASN H H 1 8.185 0.000 . . . . . A 42 ASN H . 25382 1 475 . 1 1 42 42 ASN HA H 1 4.602 0.000 . . . . . A 42 ASN HA . 25382 1 476 . 1 1 42 42 ASN HB2 H 1 2.743 0.000 . . . . . A 42 ASN HB2 . 25382 1 477 . 1 1 42 42 ASN HB3 H 1 3.180 0.000 . . . . . A 42 ASN HB3 . 25382 1 478 . 1 1 42 42 ASN HD21 H 1 6.782 0.000 . . . . . A 42 ASN HD21 . 25382 1 479 . 1 1 42 42 ASN HD22 H 1 7.538 0.000 . . . . . A 42 ASN HD22 . 25382 1 480 . 1 1 42 42 ASN CA C 13 54.314 0.000 . . . . . A 42 ASN CA . 25382 1 481 . 1 1 42 42 ASN CB C 13 64.807 0.000 . . . . . A 42 ASN CB . 25382 1 482 . 1 1 42 42 ASN N N 15 118.354 0.000 . . . . . A 42 ASN N . 25382 1 483 . 1 1 42 42 ASN ND2 N 15 123.869 0.000 . . . . . A 42 ASN ND2 . 25382 1 484 . 1 1 43 43 ILE H H 1 6.172 0.000 . . . . . A 43 ILE H . 25382 1 485 . 1 1 43 43 ILE HA H 1 4.547 0.000 . . . . . A 43 ILE HA . 25382 1 486 . 1 1 43 43 ILE HB H 1 1.286 0.000 . . . . . A 43 ILE HB . 25382 1 487 . 1 1 43 43 ILE HG12 H 1 1.477 0.000 . . . . . A 43 ILE HG12 . 25382 1 488 . 1 1 43 43 ILE HG13 H 1 0.828 0.000 . . . . . A 43 ILE HG13 . 25382 1 489 . 1 1 43 43 ILE HG21 H 1 0.700 0.000 . . . . . A 43 ILE HG21 . 25382 1 490 . 1 1 43 43 ILE HG22 H 1 0.700 0.000 . . . . . A 43 ILE HG22 . 25382 1 491 . 1 1 43 43 ILE HG23 H 1 0.700 0.000 . . . . . A 43 ILE HG23 . 25382 1 492 . 1 1 43 43 ILE HD11 H 1 0.548 0.000 . . . . . A 43 ILE HD11 . 25382 1 493 . 1 1 43 43 ILE HD12 H 1 0.548 0.000 . . . . . A 43 ILE HD12 . 25382 1 494 . 1 1 43 43 ILE HD13 H 1 0.548 0.000 . . . . . A 43 ILE HD13 . 25382 1 495 . 1 1 43 43 ILE CA C 13 57.400 0.000 . . . . . A 43 ILE CA . 25382 1 496 . 1 1 43 43 ILE CB C 13 69.214 0.000 . . . . . A 43 ILE CB . 25382 1 497 . 1 1 43 43 ILE CG1 C 13 53.813 0.000 . . . . . A 43 ILE CG1 . 25382 1 498 . 1 1 43 43 ILE CG2 C 13 74.683 0.000 . . . . . A 43 ILE CG2 . 25382 1 499 . 1 1 43 43 ILE CD1 C 13 70.987 0.000 . . . . . A 43 ILE CD1 . 25382 1 500 . 1 1 43 43 ILE N N 15 116.621 0.000 . . . . . A 43 ILE N . 25382 1 501 . 1 1 44 44 PRO HA H 1 4.562 0.000 . . . . . A 44 PRO HA . 25382 1 502 . 1 1 44 44 PRO HB2 H 1 1.300 0.000 . . . . . A 44 PRO HB2 . 25382 1 503 . 1 1 44 44 PRO HB3 H 1 2.272 0.000 . . . . . A 44 PRO HB3 . 25382 1 504 . 1 1 44 44 PRO HG2 H 1 1.659 0.000 . . . . . A 44 PRO HG2 . 25382 1 505 . 1 1 44 44 PRO HG3 H 1 1.943 0.000 . . . . . A 44 PRO HG3 . 25382 1 506 . 1 1 44 44 PRO HD2 H 1 3.801 0.000 . . . . . A 44 PRO HD2 . 25382 1 507 . 1 1 44 44 PRO HD3 H 1 3.536 0.000 . . . . . A 44 PRO HD3 . 25382 1 508 . 1 1 44 44 PRO CA C 13 61.300 0.000 . . . . . A 44 PRO CA . 25382 1 509 . 1 1 44 44 PRO CB C 13 59.576 0.000 . . . . . A 44 PRO CB . 25382 1 510 . 1 1 44 44 PRO CG C 13 55.590 0.000 . . . . . A 44 PRO CG . 25382 1 511 . 1 1 44 44 PRO CD C 13 50.770 0.000 . . . . . A 44 PRO CD . 25382 1 512 . 1 1 45 45 PRO HA H 1 3.881 0.000 . . . . . A 45 PRO HA . 25382 1 513 . 1 1 45 45 PRO HB2 H 1 2.027 0.000 . . . . . A 45 PRO HB2 . 25382 1 514 . 1 1 45 45 PRO HB3 H 1 2.148 0.000 . . . . . A 45 PRO HB3 . 25382 1 515 . 1 1 45 45 PRO HG2 H 1 1.513 0.000 . . . . . A 45 PRO HG2 . 25382 1 516 . 1 1 45 45 PRO HG3 H 1 2.171 0.000 . . . . . A 45 PRO HG3 . 25382 1 517 . 1 1 45 45 PRO HD2 H 1 3.763 0.000 . . . . . A 45 PRO HD2 . 25382 1 518 . 1 1 45 45 PRO HD3 H 1 3.683 0.000 . . . . . A 45 PRO HD3 . 25382 1 519 . 1 1 45 45 PRO CA C 13 66.607 0.000 . . . . . A 45 PRO CA . 25382 1 520 . 1 1 45 45 PRO CB C 13 60.209 0.000 . . . . . A 45 PRO CB . 25382 1 521 . 1 1 45 45 PRO CG C 13 55.837 0.000 . . . . . A 45 PRO CG . 25382 1 522 . 1 1 45 45 PRO CD C 13 50.559 0.000 . . . . . A 45 PRO CD . 25382 1 523 . 1 1 46 46 TYR H H 1 7.150 0.000 . . . . . A 46 TYR H . 25382 1 524 . 1 1 46 46 TYR HA H 1 4.518 0.000 . . . . . A 46 TYR HA . 25382 1 525 . 1 1 46 46 TYR HB2 H 1 3.013 0.000 . . . . . A 46 TYR HB2 . 25382 1 526 . 1 1 46 46 TYR HB3 H 1 3.267 0.000 . . . . . A 46 TYR HB3 . 25382 1 527 . 1 1 46 46 TYR HD1 H 1 7.081 0.000 . . . . . A 46 TYR HD1 . 25382 1 528 . 1 1 46 46 TYR HD2 H 1 7.081 0.000 . . . . . A 46 TYR HD2 . 25382 1 529 . 1 1 46 46 TYR HE1 H 1 6.799 0.000 . . . . . A 46 TYR HE1 . 25382 1 530 . 1 1 46 46 TYR HE2 H 1 6.799 0.000 . . . . . A 46 TYR HE2 . 25382 1 531 . 1 1 46 46 TYR CA C 13 58.329 0.000 . . . . . A 46 TYR CA . 25382 1 532 . 1 1 46 46 TYR CB C 13 64.336 0.000 . . . . . A 46 TYR CB . 25382 1 533 . 1 1 46 46 TYR CD1 C 13 49.369 0.000 . . . . . A 46 TYR CD1 . 25382 1 534 . 1 1 46 46 TYR CD2 C 13 49.369 0.000 . . . . . A 46 TYR CD2 . 25382 1 535 . 1 1 46 46 TYR CE1 C 13 62.636 0.000 . . . . . A 46 TYR CE1 . 25382 1 536 . 1 1 46 46 TYR CE2 C 13 62.636 0.000 . . . . . A 46 TYR CE2 . 25382 1 537 . 1 1 46 46 TYR N N 15 121.669 0.000 . . . . . A 46 TYR N . 25382 1 538 . 1 1 47 47 LEU H H 1 7.476 0.000 . . . . . A 47 LEU H . 25382 1 539 . 1 1 47 47 LEU HA H 1 4.477 0.000 . . . . . A 47 LEU HA . 25382 1 540 . 1 1 47 47 LEU HB2 H 1 1.738 0.000 . . . . . A 47 LEU HB2 . 25382 1 541 . 1 1 47 47 LEU HB3 H 1 1.201 0.000 . . . . . A 47 LEU HB3 . 25382 1 542 . 1 1 47 47 LEU HG H 1 0.543 0.000 . . . . . A 47 LEU HG . 25382 1 543 . 1 1 47 47 LEU HD11 H 1 0.687 0.000 . . . . . A 47 LEU HD11 . 25382 1 544 . 1 1 47 47 LEU HD12 H 1 0.687 0.000 . . . . . A 47 LEU HD12 . 25382 1 545 . 1 1 47 47 LEU HD13 H 1 0.687 0.000 . . . . . A 47 LEU HD13 . 25382 1 546 . 1 1 47 47 LEU HD21 H 1 0.562 0.000 . . . . . A 47 LEU HD21 . 25382 1 547 . 1 1 47 47 LEU HD22 H 1 0.562 0.000 . . . . . A 47 LEU HD22 . 25382 1 548 . 1 1 47 47 LEU HD23 H 1 0.562 0.000 . . . . . A 47 LEU HD23 . 25382 1 549 . 1 1 47 47 LEU CA C 13 53.606 0.000 . . . . . A 47 LEU CA . 25382 1 550 . 1 1 47 47 LEU CB C 13 69.736 0.000 . . . . . A 47 LEU CB . 25382 1 551 . 1 1 47 47 LEU CG C 13 53.916 0.000 . . . . . A 47 LEU CG . 25382 1 552 . 1 1 47 47 LEU CD1 C 13 52.900 0.000 . . . . . A 47 LEU CD1 . 25382 1 553 . 1 1 47 47 LEU CD2 C 13 50.272 0.000 . . . . . A 47 LEU CD2 . 25382 1 554 . 1 1 47 47 LEU N N 15 119.536 0.000 . . . . . A 47 LEU N . 25382 1 555 . 1 1 48 48 GLN H H 1 7.189 0.000 . . . . . A 48 GLN H . 25382 1 556 . 1 1 48 48 GLN HA H 1 3.927 0.000 . . . . . A 48 GLN HA . 25382 1 557 . 1 1 48 48 GLN HB2 H 1 1.627 0.000 . . . . . A 48 GLN HB2 . 25382 1 558 . 1 1 48 48 GLN HB3 H 1 2.084 0.000 . . . . . A 48 GLN HB3 . 25382 1 559 . 1 1 48 48 GLN HG2 H 1 2.542 0.000 . . . . . A 48 GLN HG2 . 25382 1 560 . 1 1 48 48 GLN HG3 H 1 1.516 0.000 . . . . . A 48 GLN HG3 . 25382 1 561 . 1 1 48 48 GLN HE21 H 1 6.649 0.000 . . . . . A 48 GLN HE21 . 25382 1 562 . 1 1 48 48 GLN HE22 H 1 6.846 0.000 . . . . . A 48 GLN HE22 . 25382 1 563 . 1 1 48 48 GLN CA C 13 56.199 0.000 . . . . . A 48 GLN CA . 25382 1 564 . 1 1 48 48 GLN CB C 13 57.871 0.000 . . . . . A 48 GLN CB . 25382 1 565 . 1 1 48 48 GLN CG C 13 61.331 0.000 . . . . . A 48 GLN CG . 25382 1 566 . 1 1 48 48 GLN N N 15 116.917 0.000 . . . . . A 48 GLN N . 25382 1 567 . 1 1 48 48 GLN NE2 N 15 116.066 0.000 . . . . . A 48 GLN NE2 . 25382 1 568 . 1 1 49 49 CYS H H 1 8.148 0.000 . . . . . A 49 CYS H . 25382 1 569 . 1 1 49 49 CYS HA H 1 4.655 0.000 . . . . . A 49 CYS HA . 25382 1 570 . 1 1 49 49 CYS HB2 H 1 2.862 0.000 . . . . . A 49 CYS HB2 . 25382 1 571 . 1 1 49 49 CYS HB3 H 1 2.681 0.000 . . . . . A 49 CYS HB3 . 25382 1 572 . 1 1 49 49 CYS CA C 13 58.688 0.000 . . . . . A 49 CYS CA . 25382 1 573 . 1 1 49 49 CYS CB C 13 54.747 0.000 . . . . . A 49 CYS CB . 25382 1 574 . 1 1 49 49 CYS N N 15 124.585 0.000 . . . . . A 49 CYS N . 25382 1 575 . 1 1 50 50 ILE H H 1 9.335 0.000 . . . . . A 50 ILE H . 25382 1 576 . 1 1 50 50 ILE HA H 1 4.552 0.000 . . . . . A 50 ILE HA . 25382 1 577 . 1 1 50 50 ILE HB H 1 1.951 0.000 . . . . . A 50 ILE HB . 25382 1 578 . 1 1 50 50 ILE HG12 H 1 0.705 0.000 . . . . . A 50 ILE HG12 . 25382 1 579 . 1 1 50 50 ILE HG13 H 1 1.676 0.000 . . . . . A 50 ILE HG13 . 25382 1 580 . 1 1 50 50 ILE HG21 H 1 0.802 0.000 . . . . . A 50 ILE HG21 . 25382 1 581 . 1 1 50 50 ILE HG22 H 1 0.802 0.000 . . . . . A 50 ILE HG22 . 25382 1 582 . 1 1 50 50 ILE HG23 H 1 0.802 0.000 . . . . . A 50 ILE HG23 . 25382 1 583 . 1 1 50 50 ILE HD11 H 1 0.783 0.000 . . . . . A 50 ILE HD11 . 25382 1 584 . 1 1 50 50 ILE HD12 H 1 0.783 0.000 . . . . . A 50 ILE HD12 . 25382 1 585 . 1 1 50 50 ILE HD13 H 1 0.783 0.000 . . . . . A 50 ILE HD13 . 25382 1 586 . 1 1 50 50 ILE CA C 13 61.500 0.000 . . . . . A 50 ILE CA . 25382 1 587 . 1 1 50 50 ILE CB C 13 67.671 0.000 . . . . . A 50 ILE CB . 25382 1 588 . 1 1 50 50 ILE CG1 C 13 56.173 0.000 . . . . . A 50 ILE CG1 . 25382 1 589 . 1 1 50 50 ILE CG2 C 13 74.875 0.000 . . . . . A 50 ILE CG2 . 25382 1 590 . 1 1 50 50 ILE CD1 C 13 70.093 0.000 . . . . . A 50 ILE CD1 . 25382 1 591 . 1 1 50 50 ILE N N 15 119.534 0.000 . . . . . A 50 ILE N . 25382 1 592 . 1 1 51 51 ARG H H 1 9.063 0.000 . . . . . A 51 ARG H . 25382 1 593 . 1 1 51 51 ARG HA H 1 5.577 0.000 . . . . . A 51 ARG HA . 25382 1 594 . 1 1 51 51 ARG HB2 H 1 1.671 0.000 . . . . . A 51 ARG HB2 . 25382 1 595 . 1 1 51 51 ARG HB3 H 1 1.364 0.000 . . . . . A 51 ARG HB3 . 25382 1 596 . 1 1 51 51 ARG HG2 H 1 1.549 0.000 . . . . . A 51 ARG HG2 . 25382 1 597 . 1 1 51 51 ARG HG3 H 1 1.168 0.000 . . . . . A 51 ARG HG3 . 25382 1 598 . 1 1 51 51 ARG HD2 H 1 2.916 0.000 . . . . . A 51 ARG HD2 . 25382 1 599 . 1 1 51 51 ARG HD3 H 1 2.777 0.000 . . . . . A 51 ARG HD3 . 25382 1 600 . 1 1 51 51 ARG HE H 1 7.236 0.000 . . . . . A 51 ARG HE . 25382 1 601 . 1 1 51 51 ARG CA C 13 54.366 0.000 . . . . . A 51 ARG CA . 25382 1 602 . 1 1 51 51 ARG CB C 13 61.991 0.000 . . . . . A 51 ARG CB . 25382 1 603 . 1 1 51 51 ARG CG C 13 56.801 0.000 . . . . . A 51 ARG CG . 25382 1 604 . 1 1 51 51 ARG CD C 13 71.535 0.000 . . . . . A 51 ARG CD . 25382 1 605 . 1 1 51 51 ARG N N 15 125.219 0.000 . . . . . A 51 ARG N . 25382 1 606 . 1 1 52 52 TYR H H 1 9.272 0.000 . . . . . A 52 TYR H . 25382 1 607 . 1 1 52 52 TYR HA H 1 5.254 0.000 . . . . . A 52 TYR HA . 25382 1 608 . 1 1 52 52 TYR HB2 H 1 2.881 0.000 . . . . . A 52 TYR HB2 . 25382 1 609 . 1 1 52 52 TYR HB3 H 1 3.016 0.000 . . . . . A 52 TYR HB3 . 25382 1 610 . 1 1 52 52 TYR HD1 H 1 7.017 0.000 . . . . . A 52 TYR HD1 . 25382 1 611 . 1 1 52 52 TYR HD2 H 1 7.017 0.000 . . . . . A 52 TYR HD2 . 25382 1 612 . 1 1 52 52 TYR HE1 H 1 6.597 0.000 . . . . . A 52 TYR HE1 . 25382 1 613 . 1 1 52 52 TYR HE2 H 1 6.597 0.000 . . . . . A 52 TYR HE2 . 25382 1 614 . 1 1 52 52 TYR HH H 1 9.297 0.000 . . . . . A 52 TYR HH . 25382 1 615 . 1 1 52 52 TYR CA C 13 55.643 0.000 . . . . . A 52 TYR CA . 25382 1 616 . 1 1 52 52 TYR CB C 13 70.577 0.000 . . . . . A 52 TYR CB . 25382 1 617 . 1 1 52 52 TYR CD1 C 13 49.441 0.000 . . . . . A 52 TYR CD1 . 25382 1 618 . 1 1 52 52 TYR CD2 C 13 49.441 0.000 . . . . . A 52 TYR CD2 . 25382 1 619 . 1 1 52 52 TYR CE1 C 13 61.688 0.000 . . . . . A 52 TYR CE1 . 25382 1 620 . 1 1 52 52 TYR CE2 C 13 61.688 0.000 . . . . . A 52 TYR CE2 . 25382 1 621 . 1 1 52 52 TYR N N 15 118.759 0.000 . . . . . A 52 TYR N . 25382 1 622 . 1 1 53 53 GLY H H 1 8.597 0.000 . . . . . A 53 GLY H . 25382 1 623 . 1 1 53 53 GLY HA2 H 1 3.861 0.000 . . . . . A 53 GLY HA2 . 25382 1 624 . 1 1 53 53 GLY HA3 H 1 3.682 0.000 . . . . . A 53 GLY HA3 . 25382 1 625 . 1 1 53 53 GLY CA C 13 72.154 0.000 . . . . . A 53 GLY CA . 25382 1 626 . 1 1 53 53 GLY N N 15 119.226 0.000 . . . . . A 53 GLY N . 25382 1 627 . 1 1 54 54 PHE H H 1 7.940 0.000 . . . . . A 54 PHE H . 25382 1 628 . 1 1 54 54 PHE HA H 1 4.270 0.000 . . . . . A 54 PHE HA . 25382 1 629 . 1 1 54 54 PHE HB2 H 1 2.868 0.000 . . . . . A 54 PHE HB2 . 25382 1 630 . 1 1 54 54 PHE HB3 H 1 2.868 0.000 . . . . . A 54 PHE HB3 . 25382 1 631 . 1 1 54 54 PHE HD1 H 1 7.200 0.000 . . . . . A 54 PHE HD1 . 25382 1 632 . 1 1 54 54 PHE HD2 H 1 7.200 0.000 . . . . . A 54 PHE HD2 . 25382 1 633 . 1 1 54 54 PHE HE1 H 1 7.264 0.000 . . . . . A 54 PHE HE1 . 25382 1 634 . 1 1 54 54 PHE HE2 H 1 7.264 0.000 . . . . . A 54 PHE HE2 . 25382 1 635 . 1 1 54 54 PHE HZ H 1 7.326 0.000 . . . . . A 54 PHE HZ . 25382 1 636 . 1 1 54 54 PHE CA C 13 56.337 0.000 . . . . . A 54 PHE CA . 25382 1 637 . 1 1 54 54 PHE CB C 13 70.011 0.000 . . . . . A 54 PHE CB . 25382 1 638 . 1 1 54 54 PHE CD1 C 13 75.563 0.000 . . . . . A 54 PHE CD1 . 25382 1 639 . 1 1 54 54 PHE CD2 C 13 75.563 0.000 . . . . . A 54 PHE CD2 . 25382 1 640 . 1 1 54 54 PHE CE1 C 13 73.941 0.000 . . . . . A 54 PHE CE1 . 25382 1 641 . 1 1 54 54 PHE CE2 C 13 73.941 0.000 . . . . . A 54 PHE CE2 . 25382 1 642 . 1 1 54 54 PHE CZ C 13 75.563 0.000 . . . . . A 54 PHE CZ . 25382 1 643 . 1 1 54 54 PHE N N 15 116.392 0.000 . . . . . A 54 PHE N . 25382 1 644 . 1 1 55 55 PRO HA H 1 3.885 0.000 . . . . . A 55 PRO HA . 25382 1 645 . 1 1 55 55 PRO HB2 H 1 2.050 0.000 . . . . . A 55 PRO HB2 . 25382 1 646 . 1 1 55 55 PRO HB3 H 1 2.050 0.000 . . . . . A 55 PRO HB3 . 25382 1 647 . 1 1 55 55 PRO HG2 H 1 1.512 0.000 . . . . . A 55 PRO HG2 . 25382 1 648 . 1 1 55 55 PRO HG3 H 1 1.718 0.000 . . . . . A 55 PRO HG3 . 25382 1 649 . 1 1 55 55 PRO HD2 H 1 3.289 0.000 . . . . . A 55 PRO HD2 . 25382 1 650 . 1 1 55 55 PRO HD3 H 1 3.343 0.000 . . . . . A 55 PRO HD3 . 25382 1 651 . 1 1 55 55 PRO CA C 13 61.713 0.000 . . . . . A 55 PRO CA . 25382 1 652 . 1 1 55 55 PRO CB C 13 60.375 0.000 . . . . . A 55 PRO CB . 25382 1 653 . 1 1 55 55 PRO CG C 13 53.476 0.000 . . . . . A 55 PRO CG . 25382 1 654 . 1 1 55 55 PRO CD C 13 49.792 0.000 . . . . . A 55 PRO CD . 25382 1 655 . 1 1 56 56 PRO HA H 1 4.021 0.000 . . . . . A 56 PRO HA . 25382 1 656 . 1 1 56 56 PRO HB2 H 1 1.566 0.000 . . . . . A 56 PRO HB2 . 25382 1 657 . 1 1 56 56 PRO HB3 H 1 2.007 0.000 . . . . . A 56 PRO HB3 . 25382 1 658 . 1 1 56 56 PRO HG2 H 1 1.986 0.000 . . . . . A 56 PRO HG2 . 25382 1 659 . 1 1 56 56 PRO HG3 H 1 1.986 0.000 . . . . . A 56 PRO HG3 . 25382 1 660 . 1 1 56 56 PRO HD2 H 1 3.367 0.000 . . . . . A 56 PRO HD2 . 25382 1 661 . 1 1 56 56 PRO HD3 H 1 3.525 0.000 . . . . . A 56 PRO HD3 . 25382 1 662 . 1 1 56 56 PRO CA C 13 63.430 0.000 . . . . . A 56 PRO CA . 25382 1 663 . 1 1 56 56 PRO CB C 13 60.184 0.000 . . . . . A 56 PRO CB . 25382 1 664 . 1 1 56 56 PRO CG C 13 55.708 0.000 . . . . . A 56 PRO CG . 25382 1 665 . 1 1 56 56 PRO CD C 13 50.232 0.000 . . . . . A 56 PRO CD . 25382 1 666 . 1 1 57 57 LYS H H 1 8.704 0.000 . . . . . A 57 LYS H . 25382 1 667 . 1 1 57 57 LYS HA H 1 4.475 0.000 . . . . . A 57 LYS HA . 25382 1 668 . 1 1 57 57 LYS HB2 H 1 1.570 0.000 . . . . . A 57 LYS HB2 . 25382 1 669 . 1 1 57 57 LYS HB3 H 1 1.348 0.000 . . . . . A 57 LYS HB3 . 25382 1 670 . 1 1 57 57 LYS HG2 H 1 1.206 0.000 . . . . . A 57 LYS HG2 . 25382 1 671 . 1 1 57 57 LYS HG3 H 1 1.206 0.000 . . . . . A 57 LYS HG3 . 25382 1 672 . 1 1 57 57 LYS HD2 H 1 1.523 0.000 . . . . . A 57 LYS HD2 . 25382 1 673 . 1 1 57 57 LYS HD3 H 1 1.523 0.000 . . . . . A 57 LYS HD3 . 25382 1 674 . 1 1 57 57 LYS HE2 H 1 2.799 0.000 . . . . . A 57 LYS HE2 . 25382 1 675 . 1 1 57 57 LYS HE3 H 1 2.799 0.000 . . . . . A 57 LYS HE3 . 25382 1 676 . 1 1 57 57 LYS CA C 13 54.175 0.000 . . . . . A 57 LYS CA . 25382 1 677 . 1 1 57 57 LYS CB C 13 63.499 0.000 . . . . . A 57 LYS CB . 25382 1 678 . 1 1 57 57 LYS CG C 13 51.859 0.000 . . . . . A 57 LYS CG . 25382 1 679 . 1 1 57 57 LYS CD C 13 57.104 0.000 . . . . . A 57 LYS CD . 25382 1 680 . 1 1 57 57 LYS CE C 13 70.062 0.000 . . . . . A 57 LYS CE . 25382 1 681 . 1 1 57 57 LYS N N 15 123.833 0.000 . . . . . A 57 LYS N . 25382 1 682 . 1 1 58 58 GLU H H 1 8.518 0.000 . . . . . A 58 GLU H . 25382 1 683 . 1 1 58 58 GLU HA H 1 4.705 0.000 . . . . . A 58 GLU HA . 25382 1 684 . 1 1 58 58 GLU HB2 H 1 1.874 0.000 . . . . . A 58 GLU HB2 . 25382 1 685 . 1 1 58 58 GLU HB3 H 1 1.813 0.000 . . . . . A 58 GLU HB3 . 25382 1 686 . 1 1 58 58 GLU HG2 H 1 2.120 0.000 . . . . . A 58 GLU HG2 . 25382 1 687 . 1 1 58 58 GLU HG3 H 1 2.313 0.000 . . . . . A 58 GLU HG3 . 25382 1 688 . 1 1 58 58 GLU CA C 13 56.777 0.000 . . . . . A 58 GLU CA . 25382 1 689 . 1 1 58 58 GLU CB C 13 58.628 0.000 . . . . . A 58 GLU CB . 25382 1 690 . 1 1 58 58 GLU CG C 13 64.783 0.000 . . . . . A 58 GLU CG . 25382 1 691 . 1 1 58 58 GLU N N 15 121.370 0.000 . . . . . A 58 GLU N . 25382 1 692 . 1 1 59 59 LEU H H 1 9.009 0.000 . . . . . A 59 LEU H . 25382 1 693 . 1 1 59 59 LEU HA H 1 4.542 0.000 . . . . . A 59 LEU HA . 25382 1 694 . 1 1 59 59 LEU HB2 H 1 1.131 0.000 . . . . . A 59 LEU HB2 . 25382 1 695 . 1 1 59 59 LEU HB3 H 1 1.929 0.000 . . . . . A 59 LEU HB3 . 25382 1 696 . 1 1 59 59 LEU HG H 1 1.570 0.000 . . . . . A 59 LEU HG . 25382 1 697 . 1 1 59 59 LEU HD11 H 1 0.681 0.000 . . . . . A 59 LEU HD11 . 25382 1 698 . 1 1 59 59 LEU HD12 H 1 0.681 0.000 . . . . . A 59 LEU HD12 . 25382 1 699 . 1 1 59 59 LEU HD13 H 1 0.681 0.000 . . . . . A 59 LEU HD13 . 25382 1 700 . 1 1 59 59 LEU HD21 H 1 0.597 0.000 . . . . . A 59 LEU HD21 . 25382 1 701 . 1 1 59 59 LEU HD22 H 1 0.597 0.000 . . . . . A 59 LEU HD22 . 25382 1 702 . 1 1 59 59 LEU HD23 H 1 0.597 0.000 . . . . . A 59 LEU HD23 . 25382 1 703 . 1 1 59 59 LEU CA C 13 54.187 0.000 . . . . . A 59 LEU CA . 25382 1 704 . 1 1 59 59 LEU CB C 13 69.879 0.000 . . . . . A 59 LEU CB . 25382 1 705 . 1 1 59 59 LEU CG C 13 55.010 0.000 . . . . . A 59 LEU CG . 25382 1 706 . 1 1 59 59 LEU CD1 C 13 54.613 0.000 . . . . . A 59 LEU CD1 . 25382 1 707 . 1 1 59 59 LEU CD2 C 13 51.449 0.000 . . . . . A 59 LEU CD2 . 25382 1 708 . 1 1 59 59 LEU N N 15 117.064 0.000 . . . . . A 59 LEU N . 25382 1 709 . 1 1 60 60 MET H H 1 8.198 0.000 . . . . . A 60 MET H . 25382 1 710 . 1 1 60 60 MET HA H 1 4.710 0.000 . . . . . A 60 MET HA . 25382 1 711 . 1 1 60 60 MET HB2 H 1 1.735 0.000 . . . . . A 60 MET HB2 . 25382 1 712 . 1 1 60 60 MET HB3 H 1 1.911 0.000 . . . . . A 60 MET HB3 . 25382 1 713 . 1 1 60 60 MET HG2 H 1 2.483 0.000 . . . . . A 60 MET HG2 . 25382 1 714 . 1 1 60 60 MET HG3 H 1 2.598 0.000 . . . . . A 60 MET HG3 . 25382 1 715 . 1 1 60 60 MET HE1 H 1 2.030 0.000 . . . . . A 60 MET HE1 . 25382 1 716 . 1 1 60 60 MET HE2 H 1 2.030 0.000 . . . . . A 60 MET HE2 . 25382 1 717 . 1 1 60 60 MET HE3 H 1 2.030 0.000 . . . . . A 60 MET HE3 . 25382 1 718 . 1 1 60 60 MET CA C 13 52.662 0.000 . . . . . A 60 MET CA . 25382 1 719 . 1 1 60 60 MET CB C 13 59.471 0.000 . . . . . A 60 MET CB . 25382 1 720 . 1 1 60 60 MET CG C 13 60.279 0.000 . . . . . A 60 MET CG . 25382 1 721 . 1 1 60 60 MET CE C 13 73.323 0.000 . . . . . A 60 MET CE . 25382 1 722 . 1 1 60 60 MET N N 15 126.192 0.000 . . . . . A 60 MET N . 25382 1 723 . 1 1 61 61 PRO HA H 1 2.698 0.000 . . . . . A 61 PRO HA . 25382 1 724 . 1 1 61 61 PRO HB2 H 1 1.966 0.000 . . . . . A 61 PRO HB2 . 25382 1 725 . 1 1 61 61 PRO HB3 H 1 1.544 0.000 . . . . . A 61 PRO HB3 . 25382 1 726 . 1 1 61 61 PRO HG2 H 1 1.943 0.000 . . . . . A 61 PRO HG2 . 25382 1 727 . 1 1 61 61 PRO HG3 H 1 1.943 0.000 . . . . . A 61 PRO HG3 . 25382 1 728 . 1 1 61 61 PRO HD2 H 1 3.718 0.000 . . . . . A 61 PRO HD2 . 25382 1 729 . 1 1 61 61 PRO HD3 H 1 3.421 0.000 . . . . . A 61 PRO HD3 . 25382 1 730 . 1 1 61 61 PRO CA C 13 60.248 0.000 . . . . . A 61 PRO CA . 25382 1 731 . 1 1 61 61 PRO CB C 13 58.362 0.000 . . . . . A 61 PRO CB . 25382 1 732 . 1 1 61 61 PRO CG C 13 55.390 0.000 . . . . . A 61 PRO CG . 25382 1 733 . 1 1 61 61 PRO CD C 13 50.078 0.000 . . . . . A 61 PRO CD . 25382 1 734 . 1 1 62 62 PRO HA H 1 4.212 0.000 . . . . . A 62 PRO HA . 25382 1 735 . 1 1 62 62 PRO HB2 H 1 1.627 0.000 . . . . . A 62 PRO HB2 . 25382 1 736 . 1 1 62 62 PRO HB3 H 1 2.145 0.000 . . . . . A 62 PRO HB3 . 25382 1 737 . 1 1 62 62 PRO HG2 H 1 1.935 0.000 . . . . . A 62 PRO HG2 . 25382 1 738 . 1 1 62 62 PRO HG3 H 1 2.055 0.000 . . . . . A 62 PRO HG3 . 25382 1 739 . 1 1 62 62 PRO HD2 H 1 2.945 0.000 . . . . . A 62 PRO HD2 . 25382 1 740 . 1 1 62 62 PRO HD3 H 1 3.167 0.000 . . . . . A 62 PRO HD3 . 25382 1 741 . 1 1 62 62 PRO CA C 13 61.914 0.000 . . . . . A 62 PRO CA . 25382 1 742 . 1 1 62 62 PRO CB C 13 60.190 0.000 . . . . . A 62 PRO CB . 25382 1 743 . 1 1 62 62 PRO CG C 13 55.896 0.000 . . . . . A 62 PRO CG . 25382 1 744 . 1 1 62 62 PRO CD C 13 50.557 0.000 . . . . . A 62 PRO CD . 25382 1 745 . 1 1 63 63 GLN H H 1 8.311 0.000 . . . . . A 63 GLN H . 25382 1 746 . 1 1 63 63 GLN HA H 1 4.097 0.000 . . . . . A 63 GLN HA . 25382 1 747 . 1 1 63 63 GLN HB2 H 1 1.836 0.000 . . . . . A 63 GLN HB2 . 25382 1 748 . 1 1 63 63 GLN HB3 H 1 2.087 0.000 . . . . . A 63 GLN HB3 . 25382 1 749 . 1 1 63 63 GLN HG2 H 1 2.362 0.000 . . . . . A 63 GLN HG2 . 25382 1 750 . 1 1 63 63 GLN HG3 H 1 2.362 0.000 . . . . . A 63 GLN HG3 . 25382 1 751 . 1 1 63 63 GLN HE21 H 1 6.851 0.000 . . . . . A 63 GLN HE21 . 25382 1 752 . 1 1 63 63 GLN HE22 H 1 7.585 0.000 . . . . . A 63 GLN HE22 . 25382 1 753 . 1 1 63 63 GLN CA C 13 55.051 0.000 . . . . . A 63 GLN CA . 25382 1 754 . 1 1 63 63 GLN CB C 13 57.870 0.000 . . . . . A 63 GLN CB . 25382 1 755 . 1 1 63 63 GLN CG C 13 61.992 0.000 . . . . . A 63 GLN CG . 25382 1 756 . 1 1 63 63 GLN N N 15 120.199 0.000 . . . . . A 63 GLN N . 25382 1 757 . 1 1 63 63 GLN NE2 N 15 125.138 0.000 . . . . . A 63 GLN NE2 . 25382 1 758 . 1 1 64 64 ALA H H 1 8.334 0.000 . . . . . A 64 ALA H . 25382 1 759 . 1 1 64 64 ALA HA H 1 4.207 0.000 . . . . . A 64 ALA HA . 25382 1 760 . 1 1 64 64 ALA HB1 H 1 1.344 0.000 . . . . . A 64 ALA HB1 . 25382 1 761 . 1 1 64 64 ALA HB2 H 1 1.344 0.000 . . . . . A 64 ALA HB2 . 25382 1 762 . 1 1 64 64 ALA HB3 H 1 1.344 0.000 . . . . . A 64 ALA HB3 . 25382 1 763 . 1 1 64 64 ALA CA C 13 53.853 0.000 . . . . . A 64 ALA CA . 25382 1 764 . 1 1 64 64 ALA CB C 13 73.963 0.000 . . . . . A 64 ALA CB . 25382 1 765 . 1 1 64 64 ALA N N 15 123.595 0.000 . . . . . A 64 ALA N . 25382 1 766 . 1 1 65 65 GLY H H 1 9.200 0.000 . . . . . A 65 GLY H . 25382 1 767 . 1 1 65 65 GLY HA2 H 1 3.780 0.000 . . . . . A 65 GLY HA2 . 25382 1 768 . 1 1 65 65 GLY HA3 H 1 4.370 0.000 . . . . . A 65 GLY HA3 . 25382 1 769 . 1 1 65 65 GLY CA C 13 73.464 0.000 . . . . . A 65 GLY CA . 25382 1 770 . 1 1 65 65 GLY N N 15 125.164 0.000 . . . . . A 65 GLY N . 25382 1 771 . 1 1 66 66 MET H H 1 8.309 0.000 . . . . . A 66 MET H . 25382 1 772 . 1 1 66 66 MET HA H 1 4.886 0.000 . . . . . A 66 MET HA . 25382 1 773 . 1 1 66 66 MET HB2 H 1 2.397 0.000 . . . . . A 66 MET HB2 . 25382 1 774 . 1 1 66 66 MET HB3 H 1 1.954 0.000 . . . . . A 66 MET HB3 . 25382 1 775 . 1 1 66 66 MET HG2 H 1 2.313 0.000 . . . . . A 66 MET HG2 . 25382 1 776 . 1 1 66 66 MET HG3 H 1 2.493 0.000 . . . . . A 66 MET HG3 . 25382 1 777 . 1 1 66 66 MET HE1 H 1 2.050 0.000 . . . . . A 66 MET HE1 . 25382 1 778 . 1 1 66 66 MET HE2 H 1 2.050 0.000 . . . . . A 66 MET HE2 . 25382 1 779 . 1 1 66 66 MET HE3 H 1 2.050 0.000 . . . . . A 66 MET HE3 . 25382 1 780 . 1 1 66 66 MET CA C 13 54.500 0.000 . . . . . A 66 MET CA . 25382 1 781 . 1 1 66 66 MET CB C 13 59.677 0.000 . . . . . A 66 MET CB . 25382 1 782 . 1 1 66 66 MET CG C 13 60.534 0.000 . . . . . A 66 MET CG . 25382 1 783 . 1 1 66 66 MET CE C 13 73.043 0.000 . . . . . A 66 MET CE . 25382 1 784 . 1 1 66 66 MET N N 15 119.677 0.000 . . . . . A 66 MET N . 25382 1 785 . 1 1 67 67 GLU H H 1 9.510 0.000 . . . . . A 67 GLU H . 25382 1 786 . 1 1 67 67 GLU HA H 1 3.866 0.000 . . . . . A 67 GLU HA . 25382 1 787 . 1 1 67 67 GLU HB2 H 1 2.120 0.000 . . . . . A 67 GLU HB2 . 25382 1 788 . 1 1 67 67 GLU HB3 H 1 2.120 0.000 . . . . . A 67 GLU HB3 . 25382 1 789 . 1 1 67 67 GLU HG2 H 1 2.260 0.000 . . . . . A 67 GLU HG2 . 25382 1 790 . 1 1 67 67 GLU HG3 H 1 2.588 0.000 . . . . . A 67 GLU HG3 . 25382 1 791 . 1 1 67 67 GLU CA C 13 60.893 0.000 . . . . . A 67 GLU CA . 25382 1 792 . 1 1 67 67 GLU CB C 13 56.684 0.000 . . . . . A 67 GLU CB . 25382 1 793 . 1 1 67 67 GLU CG C 13 64.758 0.000 . . . . . A 67 GLU CG . 25382 1 794 . 1 1 67 67 GLU N N 15 119.772 0.000 . . . . . A 67 GLU N . 25382 1 795 . 1 1 68 68 LYS H H 1 8.573 0.000 . . . . . A 68 LYS H . 25382 1 796 . 1 1 68 68 LYS HA H 1 4.499 0.000 . . . . . A 68 LYS HA . 25382 1 797 . 1 1 68 68 LYS HB2 H 1 2.023 0.000 . . . . . A 68 LYS HB2 . 25382 1 798 . 1 1 68 68 LYS HB3 H 1 1.729 0.000 . . . . . A 68 LYS HB3 . 25382 1 799 . 1 1 68 68 LYS HG2 H 1 1.406 0.000 . . . . . A 68 LYS HG2 . 25382 1 800 . 1 1 68 68 LYS HG3 H 1 1.479 0.000 . . . . . A 68 LYS HG3 . 25382 1 801 . 1 1 68 68 LYS HD2 H 1 1.669 0.000 . . . . . A 68 LYS HD2 . 25382 1 802 . 1 1 68 68 LYS HD3 H 1 1.669 0.000 . . . . . A 68 LYS HD3 . 25382 1 803 . 1 1 68 68 LYS HE2 H 1 2.976 0.000 . . . . . A 68 LYS HE2 . 25382 1 804 . 1 1 68 68 LYS HE3 H 1 2.976 0.000 . . . . . A 68 LYS HE3 . 25382 1 805 . 1 1 68 68 LYS CA C 13 55.650 0.000 . . . . . A 68 LYS CA . 25382 1 806 . 1 1 68 68 LYS CB C 13 59.515 0.000 . . . . . A 68 LYS CB . 25382 1 807 . 1 1 68 68 LYS CG C 13 53.216 0.000 . . . . . A 68 LYS CG . 25382 1 808 . 1 1 68 68 LYS CD C 13 57.060 0.000 . . . . . A 68 LYS CD . 25382 1 809 . 1 1 68 68 LYS CE C 13 70.076 0.000 . . . . . A 68 LYS CE . 25382 1 810 . 1 1 68 68 LYS N N 15 116.591 0.000 . . . . . A 68 LYS N . 25382 1 811 . 1 1 69 69 GLU H H 1 7.549 0.000 . . . . . A 69 GLU H . 25382 1 812 . 1 1 69 69 GLU HA H 1 4.373 0.000 . . . . . A 69 GLU HA . 25382 1 813 . 1 1 69 69 GLU HB2 H 1 2.023 0.000 . . . . . A 69 GLU HB2 . 25382 1 814 . 1 1 69 69 GLU HB3 H 1 2.023 0.000 . . . . . A 69 GLU HB3 . 25382 1 815 . 1 1 69 69 GLU HG2 H 1 2.307 0.000 . . . . . A 69 GLU HG2 . 25382 1 816 . 1 1 69 69 GLU HG3 H 1 2.379 0.000 . . . . . A 69 GLU HG3 . 25382 1 817 . 1 1 69 69 GLU CA C 13 54.660 0.000 . . . . . A 69 GLU CA . 25382 1 818 . 1 1 69 69 GLU CB C 13 57.464 0.000 . . . . . A 69 GLU CB . 25382 1 819 . 1 1 69 69 GLU CG C 13 64.013 0.000 . . . . . A 69 GLU CG . 25382 1 820 . 1 1 69 69 GLU N N 15 122.472 0.000 . . . . . A 69 GLU N . 25382 1 821 . 1 1 70 70 PRO HA H 1 4.380 0.000 . . . . . A 70 PRO HA . 25382 1 822 . 1 1 70 70 PRO HB2 H 1 2.289 0.000 . . . . . A 70 PRO HB2 . 25382 1 823 . 1 1 70 70 PRO HB3 H 1 1.787 0.000 . . . . . A 70 PRO HB3 . 25382 1 824 . 1 1 70 70 PRO HG2 H 1 1.922 0.000 . . . . . A 70 PRO HG2 . 25382 1 825 . 1 1 70 70 PRO HG3 H 1 2.062 0.000 . . . . . A 70 PRO HG3 . 25382 1 826 . 1 1 70 70 PRO HD2 H 1 3.828 0.000 . . . . . A 70 PRO HD2 . 25382 1 827 . 1 1 70 70 PRO HD3 H 1 3.586 0.000 . . . . . A 70 PRO HD3 . 25382 1 828 . 1 1 70 70 PRO CA C 13 62.147 0.000 . . . . . A 70 PRO CA . 25382 1 829 . 1 1 70 70 PRO CB C 13 60.027 0.000 . . . . . A 70 PRO CB . 25382 1 830 . 1 1 70 70 PRO CG C 13 55.999 0.000 . . . . . A 70 PRO CG . 25382 1 831 . 1 1 70 70 PRO CD C 13 50.440 0.000 . . . . . A 70 PRO CD . 25382 1 832 . 1 1 71 71 VAL H H 1 8.673 0.000 . . . . . A 71 VAL H . 25382 1 833 . 1 1 71 71 VAL HA H 1 4.493 0.000 . . . . . A 71 VAL HA . 25382 1 834 . 1 1 71 71 VAL HB H 1 1.863 0.000 . . . . . A 71 VAL HB . 25382 1 835 . 1 1 71 71 VAL HG11 H 1 1.005 0.000 . . . . . A 71 VAL HG11 . 25382 1 836 . 1 1 71 71 VAL HG12 H 1 1.005 0.000 . . . . . A 71 VAL HG12 . 25382 1 837 . 1 1 71 71 VAL HG13 H 1 1.005 0.000 . . . . . A 71 VAL HG13 . 25382 1 838 . 1 1 71 71 VAL HG21 H 1 0.916 0.000 . . . . . A 71 VAL HG21 . 25382 1 839 . 1 1 71 71 VAL HG22 H 1 0.916 0.000 . . . . . A 71 VAL HG22 . 25382 1 840 . 1 1 71 71 VAL HG23 H 1 0.916 0.000 . . . . . A 71 VAL HG23 . 25382 1 841 . 1 1 71 71 VAL CA C 13 59.000 0.000 . . . . . A 71 VAL CA . 25382 1 842 . 1 1 71 71 VAL CB C 13 59.909 0.000 . . . . . A 71 VAL CB . 25382 1 843 . 1 1 71 71 VAL CG1 C 13 49.663 0.000 . . . . . A 71 VAL CG1 . 25382 1 844 . 1 1 71 71 VAL CG2 C 13 75.655 0.000 . . . . . A 71 VAL CG2 . 25382 1 845 . 1 1 71 71 VAL N N 15 118.625 0.000 . . . . . A 71 VAL N . 25382 1 846 . 1 1 72 72 PRO HA H 1 4.634 0.000 . . . . . A 72 PRO HA . 25382 1 847 . 1 1 72 72 PRO HB2 H 1 2.336 0.000 . . . . . A 72 PRO HB2 . 25382 1 848 . 1 1 72 72 PRO HB3 H 1 1.879 0.000 . . . . . A 72 PRO HB3 . 25382 1 849 . 1 1 72 72 PRO HG2 H 1 2.041 0.000 . . . . . A 72 PRO HG2 . 25382 1 850 . 1 1 72 72 PRO HG3 H 1 1.544 0.000 . . . . . A 72 PRO HG3 . 25382 1 851 . 1 1 72 72 PRO HD2 H 1 3.760 0.000 . . . . . A 72 PRO HD2 . 25382 1 852 . 1 1 72 72 PRO HD3 H 1 3.314 0.000 . . . . . A 72 PRO HD3 . 25382 1 853 . 1 1 72 72 PRO CA C 13 63.337 0.000 . . . . . A 72 PRO CA . 25382 1 854 . 1 1 72 72 PRO CB C 13 56.945 0.000 . . . . . A 72 PRO CB . 25382 1 855 . 1 1 72 72 PRO CG C 13 55.201 0.000 . . . . . A 72 PRO CG . 25382 1 856 . 1 1 72 72 PRO CD C 13 50.868 0.000 . . . . . A 72 PRO CD . 25382 1 857 . 1 1 73 73 LEU H H 1 7.165 0.000 . . . . . A 73 LEU H . 25382 1 858 . 1 1 73 73 LEU HA H 1 4.481 0.000 . . . . . A 73 LEU HA . 25382 1 859 . 1 1 73 73 LEU HB2 H 1 1.265 0.000 . . . . . A 73 LEU HB2 . 25382 1 860 . 1 1 73 73 LEU HB3 H 1 1.169 0.000 . . . . . A 73 LEU HB3 . 25382 1 861 . 1 1 73 73 LEU HG H 1 1.149 0.000 . . . . . A 73 LEU HG . 25382 1 862 . 1 1 73 73 LEU HD11 H 1 0.617 0.000 . . . . . A 73 LEU HD11 . 25382 1 863 . 1 1 73 73 LEU HD12 H 1 0.617 0.000 . . . . . A 73 LEU HD12 . 25382 1 864 . 1 1 73 73 LEU HD13 H 1 0.617 0.000 . . . . . A 73 LEU HD13 . 25382 1 865 . 1 1 73 73 LEU HD21 H 1 0.507 0.000 . . . . . A 73 LEU HD21 . 25382 1 866 . 1 1 73 73 LEU HD22 H 1 0.507 0.000 . . . . . A 73 LEU HD22 . 25382 1 867 . 1 1 73 73 LEU HD23 H 1 0.507 0.000 . . . . . A 73 LEU HD23 . 25382 1 868 . 1 1 73 73 LEU CA C 13 53.367 0.000 . . . . . A 73 LEU CA . 25382 1 869 . 1 1 73 73 LEU CB C 13 72.501 0.000 . . . . . A 73 LEU CB . 25382 1 870 . 1 1 73 73 LEU CG C 13 55.311 0.000 . . . . . A 73 LEU CG . 25382 1 871 . 1 1 73 73 LEU CD1 C 13 54.848 0.000 . . . . . A 73 LEU CD1 . 25382 1 872 . 1 1 73 73 LEU CD2 C 13 50.995 0.000 . . . . . A 73 LEU CD2 . 25382 1 873 . 1 1 73 73 LEU N N 15 119.683 0.000 . . . . . A 73 LEU N . 25382 1 874 . 1 1 74 74 GLN H H 1 9.337 0.000 . . . . . A 74 GLN H . 25382 1 875 . 1 1 74 74 GLN HA H 1 4.525 0.000 . . . . . A 74 GLN HA . 25382 1 876 . 1 1 74 74 GLN HB2 H 1 2.128 0.000 . . . . . A 74 GLN HB2 . 25382 1 877 . 1 1 74 74 GLN HB3 H 1 1.876 0.000 . . . . . A 74 GLN HB3 . 25382 1 878 . 1 1 74 74 GLN HG2 H 1 2.401 0.000 . . . . . A 74 GLN HG2 . 25382 1 879 . 1 1 74 74 GLN HG3 H 1 2.345 0.000 . . . . . A 74 GLN HG3 . 25382 1 880 . 1 1 74 74 GLN HE21 H 1 6.841 0.000 . . . . . A 74 GLN HE21 . 25382 1 881 . 1 1 74 74 GLN HE22 H 1 7.537 0.000 . . . . . A 74 GLN HE22 . 25382 1 882 . 1 1 74 74 GLN CA C 13 53.399 0.000 . . . . . A 74 GLN CA . 25382 1 883 . 1 1 74 74 GLN CB C 13 59.539 0.000 . . . . . A 74 GLN CB . 25382 1 884 . 1 1 74 74 GLN CG C 13 61.589 0.000 . . . . . A 74 GLN CG . 25382 1 885 . 1 1 74 74 GLN N N 15 121.748 0.000 . . . . . A 74 GLN N . 25382 1 886 . 1 1 74 74 GLN NE2 N 15 124.927 0.000 . . . . . A 74 GLN NE2 . 25382 1 887 . 1 1 75 75 HIS H H 1 8.830 0.000 . . . . . A 75 HIS H . 25382 1 888 . 1 1 75 75 HIS HA H 1 4.157 0.000 . . . . . A 75 HIS HA . 25382 1 889 . 1 1 75 75 HIS HB2 H 1 3.020 0.000 . . . . . A 75 HIS HB2 . 25382 1 890 . 1 1 75 75 HIS HB3 H 1 3.051 0.000 . . . . . A 75 HIS HB3 . 25382 1 891 . 1 1 75 75 HIS HD1 H 1 10.635 0.000 . . . . . A 75 HIS HD1 . 25382 1 892 . 1 1 75 75 HIS HD2 H 1 6.948 0.000 . . . . . A 75 HIS HD2 . 25382 1 893 . 1 1 75 75 HIS HE1 H 1 7.582 0.000 . . . . . A 75 HIS HE1 . 25382 1 894 . 1 1 75 75 HIS CA C 13 59.038 0.000 . . . . . A 75 HIS CA . 25382 1 895 . 1 1 75 75 HIS CB C 13 59.557 0.000 . . . . . A 75 HIS CB . 25382 1 896 . 1 1 75 75 HIS CD2 C 13 62.203 0.000 . . . . . A 75 HIS CD2 . 25382 1 897 . 1 1 75 75 HIS CE1 C 13 54.806 0.000 . . . . . A 75 HIS CE1 . 25382 1 898 . 1 1 75 75 HIS N N 15 119.038 0.000 . . . . . A 75 HIS N . 25382 1 899 . 1 1 76 76 GLY H H 1 8.767 0.000 . . . . . A 76 GLY H . 25382 1 900 . 1 1 76 76 GLY HA2 H 1 3.385 0.000 . . . . . A 76 GLY HA2 . 25382 1 901 . 1 1 76 76 GLY HA3 H 1 4.118 0.000 . . . . . A 76 GLY HA3 . 25382 1 902 . 1 1 76 76 GLY CA C 13 72.789 0.000 . . . . . A 76 GLY CA . 25382 1 903 . 1 1 76 76 GLY N N 15 116.469 0.000 . . . . . A 76 GLY N . 25382 1 904 . 1 1 77 77 ASP H H 1 8.130 0.000 . . . . . A 77 ASP H . 25382 1 905 . 1 1 77 77 ASP HA H 1 4.647 0.000 . . . . . A 77 ASP HA . 25382 1 906 . 1 1 77 77 ASP HB2 H 1 2.485 0.000 . . . . . A 77 ASP HB2 . 25382 1 907 . 1 1 77 77 ASP HB3 H 1 2.962 0.000 . . . . . A 77 ASP HB3 . 25382 1 908 . 1 1 77 77 ASP CA C 13 55.530 0.000 . . . . . A 77 ASP CA . 25382 1 909 . 1 1 77 77 ASP CB C 13 69.992 0.000 . . . . . A 77 ASP CB . 25382 1 910 . 1 1 77 77 ASP N N 15 121.741 0.000 . . . . . A 77 ASP N . 25382 1 911 . 1 1 78 78 ARG H H 1 8.349 0.000 . . . . . A 78 ARG H . 25382 1 912 . 1 1 78 78 ARG HA H 1 5.336 0.000 . . . . . A 78 ARG HA . 25382 1 913 . 1 1 78 78 ARG HB2 H 1 1.710 0.000 . . . . . A 78 ARG HB2 . 25382 1 914 . 1 1 78 78 ARG HB3 H 1 1.817 0.000 . . . . . A 78 ARG HB3 . 25382 1 915 . 1 1 78 78 ARG HG2 H 1 1.485 0.000 . . . . . A 78 ARG HG2 . 25382 1 916 . 1 1 78 78 ARG HG3 H 1 1.662 0.000 . . . . . A 78 ARG HG3 . 25382 1 917 . 1 1 78 78 ARG HD2 H 1 3.103 0.000 . . . . . A 78 ARG HD2 . 25382 1 918 . 1 1 78 78 ARG HD3 H 1 3.103 0.000 . . . . . A 78 ARG HD3 . 25382 1 919 . 1 1 78 78 ARG CA C 13 54.360 0.000 . . . . . A 78 ARG CA . 25382 1 920 . 1 1 78 78 ARG CB C 13 60.210 0.000 . . . . . A 78 ARG CB . 25382 1 921 . 1 1 78 78 ARG CG C 13 55.406 0.000 . . . . . A 78 ARG CG . 25382 1 922 . 1 1 78 78 ARG CD C 13 71.743 0.000 . . . . . A 78 ARG CD . 25382 1 923 . 1 1 78 78 ARG N N 15 117.852 0.000 . . . . . A 78 ARG N . 25382 1 924 . 1 1 79 79 ILE H H 1 9.002 0.000 . . . . . A 79 ILE H . 25382 1 925 . 1 1 79 79 ILE HA H 1 5.252 0.000 . . . . . A 79 ILE HA . 25382 1 926 . 1 1 79 79 ILE HB H 1 2.122 0.000 . . . . . A 79 ILE HB . 25382 1 927 . 1 1 79 79 ILE HG12 H 1 1.342 0.000 . . . . . A 79 ILE HG12 . 25382 1 928 . 1 1 79 79 ILE HG13 H 1 1.070 0.000 . . . . . A 79 ILE HG13 . 25382 1 929 . 1 1 79 79 ILE HG21 H 1 0.869 0.000 . . . . . A 79 ILE HG21 . 25382 1 930 . 1 1 79 79 ILE HG22 H 1 0.869 0.000 . . . . . A 79 ILE HG22 . 25382 1 931 . 1 1 79 79 ILE HG23 H 1 0.869 0.000 . . . . . A 79 ILE HG23 . 25382 1 932 . 1 1 79 79 ILE HD11 H 1 0.660 0.000 . . . . . A 79 ILE HD11 . 25382 1 933 . 1 1 79 79 ILE HD12 H 1 0.660 0.000 . . . . . A 79 ILE HD12 . 25382 1 934 . 1 1 79 79 ILE HD13 H 1 0.660 0.000 . . . . . A 79 ILE HD13 . 25382 1 935 . 1 1 79 79 ILE CA C 13 59.321 0.000 . . . . . A 79 ILE CA . 25382 1 936 . 1 1 79 79 ILE CB C 13 68.710 0.000 . . . . . A 79 ILE CB . 25382 1 937 . 1 1 79 79 ILE CG1 C 13 54.985 0.000 . . . . . A 79 ILE CG1 . 25382 1 938 . 1 1 79 79 ILE CG2 C 13 75.138 0.000 . . . . . A 79 ILE CG2 . 25382 1 939 . 1 1 79 79 ILE CD1 C 13 69.946 0.000 . . . . . A 79 ILE CD1 . 25382 1 940 . 1 1 79 79 ILE N N 15 119.389 0.000 . . . . . A 79 ILE N . 25382 1 941 . 1 1 80 80 THR H H 1 9.009 0.000 . . . . . A 80 THR H . 25382 1 942 . 1 1 80 80 THR HA H 1 5.363 0.000 . . . . . A 80 THR HA . 25382 1 943 . 1 1 80 80 THR HB H 1 3.966 0.000 . . . . . A 80 THR HB . 25382 1 944 . 1 1 80 80 THR HG1 H 1 3.523 0.000 . . . . . A 80 THR HG1 . 25382 1 945 . 1 1 80 80 THR HG21 H 1 1.011 0.000 . . . . . A 80 THR HG21 . 25382 1 946 . 1 1 80 80 THR HG22 H 1 1.011 0.000 . . . . . A 80 THR HG22 . 25382 1 947 . 1 1 80 80 THR HG23 H 1 1.011 0.000 . . . . . A 80 THR HG23 . 25382 1 948 . 1 1 80 80 THR CA C 13 59.609 0.000 . . . . . A 80 THR CA . 25382 1 949 . 1 1 80 80 THR CB C 13 71.177 0.000 . . . . . A 80 THR CB . 25382 1 950 . 1 1 80 80 THR CG2 C 13 49.292 0.000 . . . . . A 80 THR CG2 . 25382 1 951 . 1 1 80 80 THR N N 15 116.678 0.000 . . . . . A 80 THR N . 25382 1 952 . 1 1 81 81 ILE H H 1 8.828 0.000 . . . . . A 81 ILE H . 25382 1 953 . 1 1 81 81 ILE HA H 1 4.789 0.000 . . . . . A 81 ILE HA . 25382 1 954 . 1 1 81 81 ILE HB H 1 1.590 0.000 . . . . . A 81 ILE HB . 25382 1 955 . 1 1 81 81 ILE HG12 H 1 1.009 0.000 . . . . . A 81 ILE HG12 . 25382 1 956 . 1 1 81 81 ILE HG13 H 1 1.146 0.000 . . . . . A 81 ILE HG13 . 25382 1 957 . 1 1 81 81 ILE HG21 H 1 0.561 0.000 . . . . . A 81 ILE HG21 . 25382 1 958 . 1 1 81 81 ILE HG22 H 1 0.561 0.000 . . . . . A 81 ILE HG22 . 25382 1 959 . 1 1 81 81 ILE HG23 H 1 0.561 0.000 . . . . . A 81 ILE HG23 . 25382 1 960 . 1 1 81 81 ILE HD11 H 1 0.589 0.000 . . . . . A 81 ILE HD11 . 25382 1 961 . 1 1 81 81 ILE HD12 H 1 0.589 0.000 . . . . . A 81 ILE HD12 . 25382 1 962 . 1 1 81 81 ILE HD13 H 1 0.589 0.000 . . . . . A 81 ILE HD13 . 25382 1 963 . 1 1 81 81 ILE CA C 13 58.354 0.000 . . . . . A 81 ILE CA . 25382 1 964 . 1 1 81 81 ILE CB C 13 66.894 0.000 . . . . . A 81 ILE CB . 25382 1 965 . 1 1 81 81 ILE CG1 C 13 55.839 0.000 . . . . . A 81 ILE CG1 . 25382 1 966 . 1 1 81 81 ILE CG2 C 13 73.653 0.000 . . . . . A 81 ILE CG2 . 25382 1 967 . 1 1 81 81 ILE CD1 C 13 70.023 0.000 . . . . . A 81 ILE CD1 . 25382 1 968 . 1 1 81 81 ILE N N 15 122.867 0.000 . . . . . A 81 ILE N . 25382 1 969 . 1 1 82 82 GLU H H 1 9.050 0.000 . . . . . A 82 GLU H . 25382 1 970 . 1 1 82 82 GLU HA H 1 4.294 0.000 . . . . . A 82 GLU HA . 25382 1 971 . 1 1 82 82 GLU HB2 H 1 1.803 0.000 . . . . . A 82 GLU HB2 . 25382 1 972 . 1 1 82 82 GLU HB3 H 1 1.803 0.000 . . . . . A 82 GLU HB3 . 25382 1 973 . 1 1 82 82 GLU HG2 H 1 2.099 0.000 . . . . . A 82 GLU HG2 . 25382 1 974 . 1 1 82 82 GLU HG3 H 1 1.872 0.000 . . . . . A 82 GLU HG3 . 25382 1 975 . 1 1 82 82 GLU CA C 13 54.121 0.000 . . . . . A 82 GLU CA . 25382 1 976 . 1 1 82 82 GLU CB C 13 59.198 0.000 . . . . . A 82 GLU CB . 25382 1 977 . 1 1 82 82 GLU CG C 13 63.704 0.000 . . . . . A 82 GLU CG . 25382 1 978 . 1 1 82 82 GLU N N 15 117.213 0.000 . . . . . A 82 GLU N . 25382 1 979 . 1 1 83 83 ILE H H 1 7.896 0.000 . . . . . A 83 ILE H . 25382 1 980 . 1 1 83 83 ILE HA H 1 4.178 0.000 . . . . . A 83 ILE HA . 25382 1 981 . 1 1 83 83 ILE HB H 1 1.688 0.000 . . . . . A 83 ILE HB . 25382 1 982 . 1 1 83 83 ILE HG12 H 1 0.773 0.000 . . . . . A 83 ILE HG12 . 25382 1 983 . 1 1 83 83 ILE HG13 H 1 1.546 0.000 . . . . . A 83 ILE HG13 . 25382 1 984 . 1 1 83 83 ILE HG21 H 1 0.875 0.000 . . . . . A 83 ILE HG21 . 25382 1 985 . 1 1 83 83 ILE HG22 H 1 0.875 0.000 . . . . . A 83 ILE HG22 . 25382 1 986 . 1 1 83 83 ILE HG23 H 1 0.875 0.000 . . . . . A 83 ILE HG23 . 25382 1 987 . 1 1 83 83 ILE HD11 H 1 0.780 0.000 . . . . . A 83 ILE HD11 . 25382 1 988 . 1 1 83 83 ILE HD12 H 1 0.780 0.000 . . . . . A 83 ILE HD12 . 25382 1 989 . 1 1 83 83 ILE HD13 H 1 0.780 0.000 . . . . . A 83 ILE HD13 . 25382 1 990 . 1 1 83 83 ILE CA C 13 61.483 0.000 . . . . . A 83 ILE CA . 25382 1 991 . 1 1 83 83 ILE CB C 13 65.926 0.000 . . . . . A 83 ILE CB . 25382 1 992 . 1 1 83 83 ILE CG1 C 13 56.730 0.000 . . . . . A 83 ILE CG1 . 25382 1 993 . 1 1 83 83 ILE CG2 C 13 73.759 0.000 . . . . . A 83 ILE CG2 . 25382 1 994 . 1 1 83 83 ILE CD1 C 13 69.863 0.000 . . . . . A 83 ILE CD1 . 25382 1 995 . 1 1 83 83 ILE N N 15 125.378 0.000 . . . . . A 83 ILE N . 25382 1 996 . 1 1 84 84 LEU H H 1 9.019 0.000 . . . . . A 84 LEU H . 25382 1 997 . 1 1 84 84 LEU HA H 1 4.234 0.000 . . . . . A 84 LEU HA . 25382 1 998 . 1 1 84 84 LEU HB2 H 1 1.517 0.000 . . . . . A 84 LEU HB2 . 25382 1 999 . 1 1 84 84 LEU HB3 H 1 1.517 0.000 . . . . . A 84 LEU HB3 . 25382 1 1000 . 1 1 84 84 LEU HG H 1 1.463 0.000 . . . . . A 84 LEU HG . 25382 1 1001 . 1 1 84 84 LEU HD11 H 1 0.798 0.000 . . . . . A 84 LEU HD11 . 25382 1 1002 . 1 1 84 84 LEU HD12 H 1 0.798 0.000 . . . . . A 84 LEU HD12 . 25382 1 1003 . 1 1 84 84 LEU HD13 H 1 0.798 0.000 . . . . . A 84 LEU HD13 . 25382 1 1004 . 1 1 84 84 LEU HD21 H 1 0.760 0.000 . . . . . A 84 LEU HD21 . 25382 1 1005 . 1 1 84 84 LEU HD22 H 1 0.760 0.000 . . . . . A 84 LEU HD22 . 25382 1 1006 . 1 1 84 84 LEU HD23 H 1 0.760 0.000 . . . . . A 84 LEU HD23 . 25382 1 1007 . 1 1 84 84 LEU CA C 13 54.850 0.000 . . . . . A 84 LEU CA . 25382 1 1008 . 1 1 84 84 LEU CB C 13 70.354 0.000 . . . . . A 84 LEU CB . 25382 1 1009 . 1 1 84 84 LEU CG C 13 54.751 0.000 . . . . . A 84 LEU CG . 25382 1 1010 . 1 1 84 84 LEU CD1 C 13 53.108 0.000 . . . . . A 84 LEU CD1 . 25382 1 1011 . 1 1 84 84 LEU CD2 C 13 50.417 0.000 . . . . . A 84 LEU CD2 . 25382 1 1012 . 1 1 84 84 LEU N N 15 119.825 0.000 . . . . . A 84 LEU N . 25382 1 1013 . 1 1 85 85 LYS H H 1 8.176 0.000 . . . . . A 85 LYS H . 25382 1 1014 . 1 1 85 85 LYS HA H 1 4.230 0.000 . . . . . A 85 LYS HA . 25382 1 1015 . 1 1 85 85 LYS HB2 H 1 1.819 0.000 . . . . . A 85 LYS HB2 . 25382 1 1016 . 1 1 85 85 LYS HB3 H 1 1.726 0.000 . . . . . A 85 LYS HB3 . 25382 1 1017 . 1 1 85 85 LYS HG2 H 1 1.453 0.000 . . . . . A 85 LYS HG2 . 25382 1 1018 . 1 1 85 85 LYS HG3 H 1 1.453 0.000 . . . . . A 85 LYS HG3 . 25382 1 1019 . 1 1 85 85 LYS HD2 H 1 1.652 0.000 . . . . . A 85 LYS HD2 . 25382 1 1020 . 1 1 85 85 LYS HD3 H 1 1.652 0.000 . . . . . A 85 LYS HD3 . 25382 1 1021 . 1 1 85 85 LYS HE2 H 1 2.974 0.000 . . . . . A 85 LYS HE2 . 25382 1 1022 . 1 1 85 85 LYS HE3 H 1 2.974 0.000 . . . . . A 85 LYS HE3 . 25382 1 1023 . 1 1 85 85 LYS CA C 13 56.306 0.000 . . . . . A 85 LYS CA . 25382 1 1024 . 1 1 85 85 LYS CB C 13 61.105 0.000 . . . . . A 85 LYS CB . 25382 1 1025 . 1 1 85 85 LYS CG C 13 52.700 0.000 . . . . . A 85 LYS CG . 25382 1 1026 . 1 1 85 85 LYS CD C 13 56.827 0.000 . . . . . A 85 LYS CD . 25382 1 1027 . 1 1 85 85 LYS CE C 13 70.170 0.000 . . . . . A 85 LYS CE . 25382 1 1028 . 1 1 85 85 LYS N N 15 119.072 0.000 . . . . . A 85 LYS N . 25382 1 1029 . 1 1 86 86 GLY H H 1 7.765 0.000 . . . . . A 86 GLY H . 25382 1 1030 . 1 1 86 86 GLY HA2 H 1 3.728 0.000 . . . . . A 86 GLY HA2 . 25382 1 1031 . 1 1 86 86 GLY HA3 H 1 3.728 0.000 . . . . . A 86 GLY HA3 . 25382 1 1032 . 1 1 86 86 GLY CA C 13 74.178 0.000 . . . . . A 86 GLY CA . 25382 1 1033 . 1 1 86 86 GLY N N 15 116.006 0.000 . . . . . A 86 GLY N . 25382 1 stop_ save_