data_25543 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25543 _Entry.Title ; Solution structure of human Myosin VI isoform3 (998-1071) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-20 _Entry.Accession_date 2015-03-20 _Entry.Last_release_date 2016-03-07 _Entry.Original_release_date 2016-03-07 _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 Fahu He . . . . 25543 2 Kylie Walters . . . . 25543 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' . 25543 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID MIU . 25543 'Myosin VI' . 25543 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25543 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 294 25543 '15N chemical shifts' 82 25543 '1H chemical shifts' 525 25543 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 2 . . 2016-08-25 2015-03-20 update BMRB 'update entry citation' 25543 1 . . 2016-03-07 2015-03-20 original author 'original release' 25543 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25541 'MyUb (1080-1122) of human Myosin VI' 25543 BMRB 25542 'MyUb (1080-1131) of human Myosin VI' 25543 BMRB 25544 'human Myosin VI isoform3 (1050-1131)' 25543 BMRB 25545 'MyUb (1080-1122) of human Myosin VI with K63-diUb' 25543 PDB 2N11 'BMRB Entry Tracking System' 25543 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25543 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26971995 _Citation.Full_citation . _Citation.Title ; Myosin VI Contains a Compact Structural Motif that Binds to Ubiquitin Chains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 11 _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 2683 _Citation.Page_last 2694 _Citation.Year 2016 _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 Fahu He . . . . 25543 1 2 Hans-Peter Wollscheid . . . . 25543 1 3 Urszula Nowicka . . . . 25543 1 4 Matteo Biancospino . . . . 25543 1 5 Eleonora Valentini . . . . 25543 1 6 Aaron Ehlinger . . . . 25543 1 7 Filippo Acconcia . . . . 25543 1 8 Elisa Magistrati . . . . 25543 1 9 Simona Polo . . . . 25543 1 10 Kylie Walters . J. . . 25543 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25543 _Assembly.ID 1 _Assembly.Name 'human Myosin VI isoform3 (998-1071)' _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 entity 1 $entity A . yes native no no . . . 25543 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25543 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QQQAVLEQERRDRELALRIA QSEAELISDEAQADLALRRS LDSYPVSKNDGTRPKMTPEQ MAKEMSEFLSRGPA ; _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 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8399.430 _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 6 GLN . 25543 1 2 7 GLN . 25543 1 3 8 GLN . 25543 1 4 9 ALA . 25543 1 5 10 VAL . 25543 1 6 11 LEU . 25543 1 7 12 GLU . 25543 1 8 13 GLN . 25543 1 9 14 GLU . 25543 1 10 15 ARG . 25543 1 11 16 ARG . 25543 1 12 17 ASP . 25543 1 13 18 ARG . 25543 1 14 19 GLU . 25543 1 15 20 LEU . 25543 1 16 21 ALA . 25543 1 17 22 LEU . 25543 1 18 23 ARG . 25543 1 19 24 ILE . 25543 1 20 25 ALA . 25543 1 21 26 GLN . 25543 1 22 27 SER . 25543 1 23 28 GLU . 25543 1 24 29 ALA . 25543 1 25 30 GLU . 25543 1 26 31 LEU . 25543 1 27 32 ILE . 25543 1 28 33 SER . 25543 1 29 34 ASP . 25543 1 30 35 GLU . 25543 1 31 36 ALA . 25543 1 32 37 GLN . 25543 1 33 38 ALA . 25543 1 34 39 ASP . 25543 1 35 40 LEU . 25543 1 36 41 ALA . 25543 1 37 42 LEU . 25543 1 38 43 ARG . 25543 1 39 44 ARG . 25543 1 40 45 SER . 25543 1 41 46 LEU . 25543 1 42 47 ASP . 25543 1 43 48 SER . 25543 1 44 49 TYR . 25543 1 45 50 PRO . 25543 1 46 51 VAL . 25543 1 47 52 SER . 25543 1 48 53 LYS . 25543 1 49 54 ASN . 25543 1 50 55 ASP . 25543 1 51 56 GLY . 25543 1 52 57 THR . 25543 1 53 58 ARG . 25543 1 54 59 PRO . 25543 1 55 60 LYS . 25543 1 56 61 MET . 25543 1 57 62 THR . 25543 1 58 63 PRO . 25543 1 59 64 GLU . 25543 1 60 65 GLN . 25543 1 61 66 MET . 25543 1 62 67 ALA . 25543 1 63 68 LYS . 25543 1 64 69 GLU . 25543 1 65 70 MET . 25543 1 66 71 SER . 25543 1 67 72 GLU . 25543 1 68 73 PHE . 25543 1 69 74 LEU . 25543 1 70 75 SER . 25543 1 71 76 ARG . 25543 1 72 77 GLY . 25543 1 73 78 PRO . 25543 1 74 79 ALA . 25543 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 . GLN 1 1 25543 1 . GLN 2 2 25543 1 . GLN 3 3 25543 1 . ALA 4 4 25543 1 . VAL 5 5 25543 1 . LEU 6 6 25543 1 . GLU 7 7 25543 1 . GLN 8 8 25543 1 . GLU 9 9 25543 1 . ARG 10 10 25543 1 . ARG 11 11 25543 1 . ASP 12 12 25543 1 . ARG 13 13 25543 1 . GLU 14 14 25543 1 . LEU 15 15 25543 1 . ALA 16 16 25543 1 . LEU 17 17 25543 1 . ARG 18 18 25543 1 . ILE 19 19 25543 1 . ALA 20 20 25543 1 . GLN 21 21 25543 1 . SER 22 22 25543 1 . GLU 23 23 25543 1 . ALA 24 24 25543 1 . GLU 25 25 25543 1 . LEU 26 26 25543 1 . ILE 27 27 25543 1 . SER 28 28 25543 1 . ASP 29 29 25543 1 . GLU 30 30 25543 1 . ALA 31 31 25543 1 . GLN 32 32 25543 1 . ALA 33 33 25543 1 . ASP 34 34 25543 1 . LEU 35 35 25543 1 . ALA 36 36 25543 1 . LEU 37 37 25543 1 . ARG 38 38 25543 1 . ARG 39 39 25543 1 . SER 40 40 25543 1 . LEU 41 41 25543 1 . ASP 42 42 25543 1 . SER 43 43 25543 1 . TYR 44 44 25543 1 . PRO 45 45 25543 1 . VAL 46 46 25543 1 . SER 47 47 25543 1 . LYS 48 48 25543 1 . ASN 49 49 25543 1 . ASP 50 50 25543 1 . GLY 51 51 25543 1 . THR 52 52 25543 1 . ARG 53 53 25543 1 . PRO 54 54 25543 1 . LYS 55 55 25543 1 . MET 56 56 25543 1 . THR 57 57 25543 1 . PRO 58 58 25543 1 . GLU 59 59 25543 1 . GLN 60 60 25543 1 . MET 61 61 25543 1 . ALA 62 62 25543 1 . LYS 63 63 25543 1 . GLU 64 64 25543 1 . MET 65 65 25543 1 . SER 66 66 25543 1 . GLU 67 67 25543 1 . PHE 68 68 25543 1 . LEU 69 69 25543 1 . SER 70 70 25543 1 . ARG 71 71 25543 1 . GLY 72 72 25543 1 . PRO 73 73 25543 1 . ALA 74 74 25543 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 25543 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25543 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 25543 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX6p . . . 25543 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25543 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-13C; U-15N]' . . 1 $entity . . 0.7 . . mM . . . . 25543 1 2 'sodium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 25543 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 25543 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 25543 1 5 NaN3 'natural abundance' . . . . . . 0.1 . . % . . . . 25543 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25543 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25543 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 25543 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20mM sodium phosphate buffer (pH 6.5), 50 mM NaCl, 2mM DTT, 0.1% NaN3.' 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 25543 1 pH 6.5 . pH 25543 1 pressure 1 . atm 25543 1 temperature 283 . K 25543 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25543 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25543 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25543 1 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 25543 _Software.ID 2 _Software.Name Kujira _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Naohiro Kobayashi' . . 25543 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25543 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25543 _Software.ID 3 _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' . . 25543 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25543 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25543 _Software.ID 4 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25543 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25543 4 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 25543 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25543 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25543 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 25543 1 2 spectrometer_2 Bruker Avance . 700 . . . 25543 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 25543 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25543 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25543 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 25543 _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 . . . . . 25543 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25543 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25543 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 25543 _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 '3D 1H-15N NOESY' . . . 25543 1 2 '3D 1H-13C NOESY' . . . 25543 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 GLN HA H 1 4.269 0.030 . 1 . . . A 6 GLN HA . 25543 1 2 . 1 1 1 1 GLN HB2 H 1 2.047 0.030 . 2 . . . A 6 GLN HB2 . 25543 1 3 . 1 1 1 1 GLN HB3 H 1 2.118 0.030 . 2 . . . A 6 GLN HB3 . 25543 1 4 . 1 1 1 1 GLN HG2 H 1 2.391 0.030 . 2 . . . A 6 GLN HG2 . 25543 1 5 . 1 1 1 1 GLN HG3 H 1 2.391 0.030 . 2 . . . A 6 GLN HG3 . 25543 1 6 . 1 1 1 1 GLN HE21 H 1 6.929 0.030 . 2 . . . A 6 GLN HE21 . 25543 1 7 . 1 1 1 1 GLN HE22 H 1 7.561 0.030 . 2 . . . A 6 GLN HE22 . 25543 1 8 . 1 1 1 1 GLN H H 1 8.677 0.030 . 1 . . . A 6 GLN H1 . 25543 1 9 . 1 1 1 1 GLN C C 13 174.269 0.300 . 1 . . . A 6 GLN C . 25543 1 10 . 1 1 1 1 GLN CA C 13 57.344 0.300 . 1 . . . A 6 GLN CA . 25543 1 11 . 1 1 1 1 GLN CB C 13 28.604 0.300 . 1 . . . A 6 GLN CB . 25543 1 12 . 1 1 1 1 GLN CG C 13 33.701 0.300 . 1 . . . A 6 GLN CG . 25543 1 13 . 1 1 1 1 GLN N N 15 122.954 0.300 . 1 . . . A 6 GLN N . 25543 1 14 . 1 1 1 1 GLN NE2 N 15 112.834 0.300 . 1 . . . A 6 GLN NE2 . 25543 1 15 . 1 1 2 2 GLN H H 1 8.340 0.030 . 1 . . . A 7 GLN H . 25543 1 16 . 1 1 2 2 GLN HA H 1 4.135 0.030 . 1 . . . A 7 GLN HA . 25543 1 17 . 1 1 2 2 GLN HB2 H 1 2.068 0.030 . 2 . . . A 7 GLN HB2 . 25543 1 18 . 1 1 2 2 GLN HB3 H 1 2.068 0.030 . 2 . . . A 7 GLN HB3 . 25543 1 19 . 1 1 2 2 GLN HG2 H 1 2.411 0.030 . 2 . . . A 7 GLN HG2 . 25543 1 20 . 1 1 2 2 GLN HG3 H 1 2.411 0.030 . 2 . . . A 7 GLN HG3 . 25543 1 21 . 1 1 2 2 GLN HE21 H 1 7.564 0.030 . 2 . . . A 7 GLN HE21 . 25543 1 22 . 1 1 2 2 GLN HE22 H 1 6.962 0.030 . 2 . . . A 7 GLN HE22 . 25543 1 23 . 1 1 2 2 GLN C C 13 174.902 0.300 . 1 . . . A 7 GLN C . 25543 1 24 . 1 1 2 2 GLN CA C 13 57.318 0.300 . 1 . . . A 7 GLN CA . 25543 1 25 . 1 1 2 2 GLN CB C 13 28.700 0.300 . 1 . . . A 7 GLN CB . 25543 1 26 . 1 1 2 2 GLN CG C 13 33.882 0.300 . 1 . . . A 7 GLN CG . 25543 1 27 . 1 1 2 2 GLN N N 15 120.283 0.300 . 1 . . . A 7 GLN N . 25543 1 28 . 1 1 2 2 GLN NE2 N 15 112.500 0.300 . 1 . . . A 7 GLN NE2 . 25543 1 29 . 1 1 3 3 GLN H H 1 8.434 0.030 . 1 . . . A 8 GLN H . 25543 1 30 . 1 1 3 3 GLN HA H 1 4.047 0.030 . 1 . . . A 8 GLN HA . 25543 1 31 . 1 1 3 3 GLN HB2 H 1 2.077 0.030 . 2 . . . A 8 GLN HB2 . 25543 1 32 . 1 1 3 3 GLN HB3 H 1 2.077 0.030 . 2 . . . A 8 GLN HB3 . 25543 1 33 . 1 1 3 3 GLN HG2 H 1 2.385 0.030 . 2 . . . A 8 GLN HG2 . 25543 1 34 . 1 1 3 3 GLN HG3 H 1 2.385 0.030 . 2 . . . A 8 GLN HG3 . 25543 1 35 . 1 1 3 3 GLN HE21 H 1 6.893 0.030 . 2 . . . A 8 GLN HE21 . 25543 1 36 . 1 1 3 3 GLN HE22 H 1 7.680 0.030 . 2 . . . A 8 GLN HE22 . 25543 1 37 . 1 1 3 3 GLN C C 13 174.564 0.300 . 1 . . . A 8 GLN C . 25543 1 38 . 1 1 3 3 GLN CA C 13 58.101 0.300 . 1 . . . A 8 GLN CA . 25543 1 39 . 1 1 3 3 GLN CB C 13 28.494 0.300 . 1 . . . A 8 GLN CB . 25543 1 40 . 1 1 3 3 GLN CG C 13 33.943 0.300 . 1 . . . A 8 GLN CG . 25543 1 41 . 1 1 3 3 GLN N N 15 120.710 0.300 . 1 . . . A 8 GLN N . 25543 1 42 . 1 1 3 3 GLN NE2 N 15 112.751 0.300 . 1 . . . A 8 GLN NE2 . 25543 1 43 . 1 1 4 4 ALA H H 1 8.144 0.030 . 1 . . . A 9 ALA H . 25543 1 44 . 1 1 4 4 ALA HA H 1 4.193 0.030 . 1 . . . A 9 ALA HA . 25543 1 45 . 1 1 4 4 ALA HB1 H 1 1.463 0.030 . 1 . . . A 9 ALA MB . 25543 1 46 . 1 1 4 4 ALA HB2 H 1 1.463 0.030 . 1 . . . A 9 ALA MB . 25543 1 47 . 1 1 4 4 ALA HB3 H 1 1.463 0.030 . 1 . . . A 9 ALA MB . 25543 1 48 . 1 1 4 4 ALA C C 13 177.504 0.300 . 1 . . . A 9 ALA C . 25543 1 49 . 1 1 4 4 ALA CA C 13 54.582 0.300 . 1 . . . A 9 ALA CA . 25543 1 50 . 1 1 4 4 ALA CB C 13 18.131 0.300 . 1 . . . A 9 ALA CB . 25543 1 51 . 1 1 4 4 ALA N N 15 122.740 0.300 . 1 . . . A 9 ALA N . 25543 1 52 . 1 1 5 5 VAL H H 1 7.854 0.030 . 1 . . . A 10 VAL H . 25543 1 53 . 1 1 5 5 VAL HA H 1 3.795 0.030 . 1 . . . A 10 VAL HA . 25543 1 54 . 1 1 5 5 VAL HB H 1 2.124 0.030 . 1 . . . A 10 VAL HB . 25543 1 55 . 1 1 5 5 VAL HG11 H 1 1.028 0.030 . 2 . . . A 10 VAL MG1 . 25543 1 56 . 1 1 5 5 VAL HG12 H 1 1.028 0.030 . 2 . . . A 10 VAL MG1 . 25543 1 57 . 1 1 5 5 VAL HG13 H 1 1.028 0.030 . 2 . . . A 10 VAL MG1 . 25543 1 58 . 1 1 5 5 VAL HG21 H 1 0.929 0.030 . 2 . . . A 10 VAL MG2 . 25543 1 59 . 1 1 5 5 VAL HG22 H 1 0.929 0.030 . 2 . . . A 10 VAL MG2 . 25543 1 60 . 1 1 5 5 VAL HG23 H 1 0.929 0.030 . 2 . . . A 10 VAL MG2 . 25543 1 61 . 1 1 5 5 VAL C C 13 175.143 0.300 . 1 . . . A 10 VAL C . 25543 1 62 . 1 1 5 5 VAL CA C 13 65.426 0.300 . 1 . . . A 10 VAL CA . 25543 1 63 . 1 1 5 5 VAL CB C 13 32.068 0.300 . 1 . . . A 10 VAL CB . 25543 1 64 . 1 1 5 5 VAL CG1 C 13 22.129 0.300 . 2 . . . A 10 VAL CG1 . 25543 1 65 . 1 1 5 5 VAL CG2 C 13 21.160 0.300 . 2 . . . A 10 VAL CG2 . 25543 1 66 . 1 1 5 5 VAL N N 15 120.344 0.300 . 1 . . . A 10 VAL N . 25543 1 67 . 1 1 6 6 LEU H H 1 7.936 0.030 . 1 . . . A 11 LEU H . 25543 1 68 . 1 1 6 6 LEU HA H 1 4.135 0.030 . 1 . . . A 11 LEU HA . 25543 1 69 . 1 1 6 6 LEU HB2 H 1 1.820 0.030 . 2 . . . A 11 LEU HB2 . 25543 1 70 . 1 1 6 6 LEU HB3 H 1 1.571 0.030 . 2 . . . A 11 LEU HB3 . 25543 1 71 . 1 1 6 6 LEU HG H 1 1.697 0.030 . 1 . . . A 11 LEU HG . 25543 1 72 . 1 1 6 6 LEU HD11 H 1 0.896 0.030 . 2 . . . A 11 LEU MD1 . 25543 1 73 . 1 1 6 6 LEU HD12 H 1 0.896 0.030 . 2 . . . A 11 LEU MD1 . 25543 1 74 . 1 1 6 6 LEU HD13 H 1 0.896 0.030 . 2 . . . A 11 LEU MD1 . 25543 1 75 . 1 1 6 6 LEU HD21 H 1 0.858 0.030 . 2 . . . A 11 LEU MD2 . 25543 1 76 . 1 1 6 6 LEU HD22 H 1 0.858 0.030 . 2 . . . A 11 LEU MD2 . 25543 1 77 . 1 1 6 6 LEU HD23 H 1 0.858 0.030 . 2 . . . A 11 LEU MD2 . 25543 1 78 . 1 1 6 6 LEU C C 13 177.143 0.300 . 1 . . . A 11 LEU C . 25543 1 79 . 1 1 6 6 LEU CA C 13 57.690 0.300 . 1 . . . A 11 LEU CA . 25543 1 80 . 1 1 6 6 LEU CB C 13 41.643 0.300 . 1 . . . A 11 LEU CB . 25543 1 81 . 1 1 6 6 LEU CG C 13 26.851 0.300 . 1 . . . A 11 LEU CG . 25543 1 82 . 1 1 6 6 LEU CD1 C 13 24.630 0.300 . 2 . . . A 11 LEU CD1 . 25543 1 83 . 1 1 6 6 LEU CD2 C 13 23.406 0.300 . 2 . . . A 11 LEU CD2 . 25543 1 84 . 1 1 6 6 LEU N N 15 121.896 0.300 . 1 . . . A 11 LEU N . 25543 1 85 . 1 1 7 7 GLU H H 1 8.310 0.030 . 1 . . . A 12 GLU H . 25543 1 86 . 1 1 7 7 GLU HA H 1 4.140 0.030 . 1 . . . A 12 GLU HA . 25543 1 87 . 1 1 7 7 GLU HB2 H 1 2.025 0.030 . 2 . . . A 12 GLU HB2 . 25543 1 88 . 1 1 7 7 GLU HB3 H 1 2.080 0.030 . 2 . . . A 12 GLU HB3 . 25543 1 89 . 1 1 7 7 GLU HG2 H 1 2.336 0.030 . 2 . . . A 12 GLU HG2 . 25543 1 90 . 1 1 7 7 GLU HG3 H 1 2.336 0.030 . 2 . . . A 12 GLU HG3 . 25543 1 91 . 1 1 7 7 GLU C C 13 175.602 0.300 . 1 . . . A 12 GLU C . 25543 1 92 . 1 1 7 7 GLU CA C 13 58.506 0.300 . 1 . . . A 12 GLU CA . 25543 1 93 . 1 1 7 7 GLU CB C 13 29.257 0.300 . 1 . . . A 12 GLU CB . 25543 1 94 . 1 1 7 7 GLU CG C 13 36.580 0.300 . 1 . . . A 12 GLU CG . 25543 1 95 . 1 1 7 7 GLU N N 15 120.197 0.300 . 1 . . . A 12 GLU N . 25543 1 96 . 1 1 8 8 GLN H H 1 8.073 0.030 . 1 . . . A 13 GLN H . 25543 1 97 . 1 1 8 8 GLN HA H 1 3.918 0.030 . 1 . . . A 13 GLN HA . 25543 1 98 . 1 1 8 8 GLN HB2 H 1 2.187 0.030 . 2 . . . A 13 GLN HB2 . 25543 1 99 . 1 1 8 8 GLN HB3 H 1 2.187 0.030 . 2 . . . A 13 GLN HB3 . 25543 1 100 . 1 1 8 8 GLN HG2 H 1 2.385 0.030 . 2 . . . A 13 GLN HG2 . 25543 1 101 . 1 1 8 8 GLN HG3 H 1 2.385 0.030 . 2 . . . A 13 GLN HG3 . 25543 1 102 . 1 1 8 8 GLN HE21 H 1 6.976 0.030 . 2 . . . A 13 GLN HE21 . 25543 1 103 . 1 1 8 8 GLN HE22 H 1 7.921 0.030 . 2 . . . A 13 GLN HE22 . 25543 1 104 . 1 1 8 8 GLN C C 13 174.656 0.300 . 1 . . . A 13 GLN C . 25543 1 105 . 1 1 8 8 GLN CA C 13 58.421 0.300 . 1 . . . A 13 GLN CA . 25543 1 106 . 1 1 8 8 GLN CB C 13 28.104 0.300 . 1 . . . A 13 GLN CB . 25543 1 107 . 1 1 8 8 GLN CG C 13 33.479 0.300 . 1 . . . A 13 GLN CG . 25543 1 108 . 1 1 8 8 GLN N N 15 120.843 0.300 . 1 . . . A 13 GLN N . 25543 1 109 . 1 1 8 8 GLN NE2 N 15 116.042 0.300 . 1 . . . A 13 GLN NE2 . 25543 1 110 . 1 1 9 9 GLU H H 1 8.340 0.030 . 1 . . . A 14 GLU H . 25543 1 111 . 1 1 9 9 GLU HA H 1 4.098 0.030 . 1 . . . A 14 GLU HA . 25543 1 112 . 1 1 9 9 GLU HB2 H 1 2.024 0.030 . 2 . . . A 14 GLU HB2 . 25543 1 113 . 1 1 9 9 GLU HB3 H 1 2.142 0.030 . 2 . . . A 14 GLU HB3 . 25543 1 114 . 1 1 9 9 GLU HG2 H 1 2.503 0.030 . 2 . . . A 14 GLU HG2 . 25543 1 115 . 1 1 9 9 GLU HG3 H 1 2.237 0.030 . 2 . . . A 14 GLU HG3 . 25543 1 116 . 1 1 9 9 GLU C C 13 176.412 0.300 . 1 . . . A 14 GLU C . 25543 1 117 . 1 1 9 9 GLU CA C 13 59.276 0.300 . 1 . . . A 14 GLU CA . 25543 1 118 . 1 1 9 9 GLU CB C 13 29.319 0.300 . 1 . . . A 14 GLU CB . 25543 1 119 . 1 1 9 9 GLU CG C 13 36.574 0.300 . 1 . . . A 14 GLU CG . 25543 1 120 . 1 1 9 9 GLU N N 15 119.589 0.300 . 1 . . . A 14 GLU N . 25543 1 121 . 1 1 10 10 ARG H H 1 7.995 0.030 . 1 . . . A 15 ARG H . 25543 1 122 . 1 1 10 10 ARG HA H 1 3.980 0.030 . 1 . . . A 15 ARG HA . 25543 1 123 . 1 1 10 10 ARG HB2 H 1 1.898 0.030 . 2 . . . A 15 ARG HB2 . 25543 1 124 . 1 1 10 10 ARG HB3 H 1 1.979 0.030 . 2 . . . A 15 ARG HB3 . 25543 1 125 . 1 1 10 10 ARG HG2 H 1 1.527 0.030 . 2 . . . A 15 ARG HG2 . 25543 1 126 . 1 1 10 10 ARG HG3 H 1 1.718 0.030 . 2 . . . A 15 ARG HG3 . 25543 1 127 . 1 1 10 10 ARG HD2 H 1 3.133 0.030 . 2 . . . A 15 ARG HD2 . 25543 1 128 . 1 1 10 10 ARG HD3 H 1 3.214 0.030 . 2 . . . A 15 ARG HD3 . 25543 1 129 . 1 1 10 10 ARG HE H 1 7.604 0.030 . 1 . . . A 15 ARG HE . 25543 1 130 . 1 1 10 10 ARG C C 13 175.896 0.300 . 1 . . . A 15 ARG C . 25543 1 131 . 1 1 10 10 ARG CA C 13 59.503 0.300 . 1 . . . A 15 ARG CA . 25543 1 132 . 1 1 10 10 ARG CB C 13 29.834 0.300 . 1 . . . A 15 ARG CB . 25543 1 133 . 1 1 10 10 ARG CG C 13 27.116 0.300 . 1 . . . A 15 ARG CG . 25543 1 134 . 1 1 10 10 ARG CD C 13 43.388 0.300 . 1 . . . A 15 ARG CD . 25543 1 135 . 1 1 10 10 ARG N N 15 120.353 0.300 . 1 . . . A 15 ARG N . 25543 1 136 . 1 1 10 10 ARG NE N 15 83.634 0.300 . 1 . . . A 15 ARG NE . 25543 1 137 . 1 1 11 11 ARG H H 1 8.169 0.030 . 1 . . . A 16 ARG H . 25543 1 138 . 1 1 11 11 ARG HA H 1 4.034 0.030 . 1 . . . A 16 ARG HA . 25543 1 139 . 1 1 11 11 ARG HB2 H 1 1.903 0.030 . 2 . . . A 16 ARG HB2 . 25543 1 140 . 1 1 11 11 ARG HB3 H 1 1.977 0.030 . 2 . . . A 16 ARG HB3 . 25543 1 141 . 1 1 11 11 ARG HG2 H 1 1.817 0.030 . 2 . . . A 16 ARG HG2 . 25543 1 142 . 1 1 11 11 ARG HG3 H 1 1.601 0.030 . 2 . . . A 16 ARG HG3 . 25543 1 143 . 1 1 11 11 ARG HD2 H 1 3.195 0.030 . 2 . . . A 16 ARG HD2 . 25543 1 144 . 1 1 11 11 ARG HD3 H 1 3.195 0.030 . 2 . . . A 16 ARG HD3 . 25543 1 145 . 1 1 11 11 ARG HE H 1 7.396 0.030 . 1 . . . A 16 ARG HE . 25543 1 146 . 1 1 11 11 ARG C C 13 176.476 0.300 . 1 . . . A 16 ARG C . 25543 1 147 . 1 1 11 11 ARG CA C 13 59.368 0.300 . 1 . . . A 16 ARG CA . 25543 1 148 . 1 1 11 11 ARG CB C 13 29.832 0.300 . 1 . . . A 16 ARG CB . 25543 1 149 . 1 1 11 11 ARG CG C 13 27.668 0.300 . 1 . . . A 16 ARG CG . 25543 1 150 . 1 1 11 11 ARG CD C 13 43.365 0.300 . 1 . . . A 16 ARG CD . 25543 1 151 . 1 1 11 11 ARG N N 15 120.490 0.300 . 1 . . . A 16 ARG N . 25543 1 152 . 1 1 11 11 ARG NE N 15 84.514 0.300 . 1 . . . A 16 ARG NE . 25543 1 153 . 1 1 12 12 ASP H H 1 8.684 0.030 . 1 . . . A 17 ASP H . 25543 1 154 . 1 1 12 12 ASP HA H 1 4.439 0.030 . 1 . . . A 17 ASP HA . 25543 1 155 . 1 1 12 12 ASP HB2 H 1 2.638 0.030 . 2 . . . A 17 ASP HB2 . 25543 1 156 . 1 1 12 12 ASP HB3 H 1 2.802 0.030 . 2 . . . A 17 ASP HB3 . 25543 1 157 . 1 1 12 12 ASP C C 13 176.291 0.300 . 1 . . . A 17 ASP C . 25543 1 158 . 1 1 12 12 ASP CA C 13 57.252 0.300 . 1 . . . A 17 ASP CA . 25543 1 159 . 1 1 12 12 ASP CB C 13 39.909 0.300 . 1 . . . A 17 ASP CB . 25543 1 160 . 1 1 12 12 ASP N N 15 120.965 0.300 . 1 . . . A 17 ASP N . 25543 1 161 . 1 1 13 13 ARG H H 1 8.183 0.030 . 1 . . . A 18 ARG H . 25543 1 162 . 1 1 13 13 ARG HA H 1 4.131 0.030 . 1 . . . A 18 ARG HA . 25543 1 163 . 1 1 13 13 ARG HB2 H 1 1.979 0.030 . 2 . . . A 18 ARG HB2 . 25543 1 164 . 1 1 13 13 ARG HB3 H 1 1.904 0.030 . 2 . . . A 18 ARG HB3 . 25543 1 165 . 1 1 13 13 ARG HG2 H 1 1.597 0.030 . 2 . . . A 18 ARG HG2 . 25543 1 166 . 1 1 13 13 ARG HG3 H 1 1.801 0.030 . 2 . . . A 18 ARG HG3 . 25543 1 167 . 1 1 13 13 ARG HD2 H 1 3.202 0.030 . 2 . . . A 18 ARG HD2 . 25543 1 168 . 1 1 13 13 ARG HD3 H 1 3.202 0.030 . 2 . . . A 18 ARG HD3 . 25543 1 169 . 1 1 13 13 ARG HE H 1 7.372 0.030 . 1 . . . A 18 ARG HE . 25543 1 170 . 1 1 13 13 ARG C C 13 175.897 0.300 . 1 . . . A 18 ARG C . 25543 1 171 . 1 1 13 13 ARG CA C 13 59.153 0.300 . 1 . . . A 18 ARG CA . 25543 1 172 . 1 1 13 13 ARG CB C 13 30.127 0.300 . 1 . . . A 18 ARG CB . 25543 1 173 . 1 1 13 13 ARG CG C 13 27.696 0.300 . 1 . . . A 18 ARG CG . 25543 1 174 . 1 1 13 13 ARG CD C 13 43.454 0.300 . 1 . . . A 18 ARG CD . 25543 1 175 . 1 1 13 13 ARG N N 15 122.128 0.300 . 1 . . . A 18 ARG N . 25543 1 176 . 1 1 13 13 ARG NE N 15 84.230 0.300 . 1 . . . A 18 ARG NE . 25543 1 177 . 1 1 14 14 GLU H H 1 8.207 0.030 . 1 . . . A 19 GLU H . 25543 1 178 . 1 1 14 14 GLU HA H 1 4.017 0.030 . 1 . . . A 19 GLU HA . 25543 1 179 . 1 1 14 14 GLU HB2 H 1 2.075 0.030 . 2 . . . A 19 GLU HB2 . 25543 1 180 . 1 1 14 14 GLU HB3 H 1 2.128 0.030 . 2 . . . A 19 GLU HB3 . 25543 1 181 . 1 1 14 14 GLU HG2 H 1 2.464 0.030 . 2 . . . A 19 GLU HG2 . 25543 1 182 . 1 1 14 14 GLU HG3 H 1 2.245 0.030 . 2 . . . A 19 GLU HG3 . 25543 1 183 . 1 1 14 14 GLU C C 13 172.902 0.300 . 1 . . . A 19 GLU C . 25543 1 184 . 1 1 14 14 GLU CA C 13 59.189 0.300 . 1 . . . A 19 GLU CA . 25543 1 185 . 1 1 14 14 GLU CB C 13 29.304 0.300 . 1 . . . A 19 GLU CB . 25543 1 186 . 1 1 14 14 GLU CG C 13 36.560 0.300 . 1 . . . A 19 GLU CG . 25543 1 187 . 1 1 14 14 GLU N N 15 120.044 0.300 . 1 . . . A 19 GLU N . 25543 1 188 . 1 1 15 15 LEU H H 1 8.102 0.030 . 1 . . . A 20 LEU H . 25543 1 189 . 1 1 15 15 LEU HA H 1 4.132 0.030 . 1 . . . A 20 LEU HA . 25543 1 190 . 1 1 15 15 LEU HB2 H 1 1.747 0.030 . 2 . . . A 20 LEU HB2 . 25543 1 191 . 1 1 15 15 LEU HB3 H 1 1.747 0.030 . 2 . . . A 20 LEU HB3 . 25543 1 192 . 1 1 15 15 LEU HG H 1 1.725 0.030 . 1 . . . A 20 LEU HG . 25543 1 193 . 1 1 15 15 LEU HD11 H 1 0.940 0.030 . 2 . . . A 20 LEU MD1 . 25543 1 194 . 1 1 15 15 LEU HD12 H 1 0.940 0.030 . 2 . . . A 20 LEU MD1 . 25543 1 195 . 1 1 15 15 LEU HD13 H 1 0.940 0.030 . 2 . . . A 20 LEU MD1 . 25543 1 196 . 1 1 15 15 LEU HD21 H 1 0.879 0.030 . 2 . . . A 20 LEU MD2 . 25543 1 197 . 1 1 15 15 LEU HD22 H 1 0.879 0.030 . 2 . . . A 20 LEU MD2 . 25543 1 198 . 1 1 15 15 LEU HD23 H 1 0.879 0.030 . 2 . . . A 20 LEU MD2 . 25543 1 199 . 1 1 15 15 LEU C C 13 174.935 0.300 . 1 . . . A 20 LEU C . 25543 1 200 . 1 1 15 15 LEU CA C 13 57.876 0.300 . 1 . . . A 20 LEU CA . 25543 1 201 . 1 1 15 15 LEU CB C 13 41.670 0.300 . 1 . . . A 20 LEU CB . 25543 1 202 . 1 1 15 15 LEU CG C 13 26.796 0.300 . 1 . . . A 20 LEU CG . 25543 1 203 . 1 1 15 15 LEU CD1 C 13 24.070 0.300 . 2 . . . A 20 LEU CD1 . 25543 1 204 . 1 1 15 15 LEU CD2 C 13 24.100 0.300 . 2 . . . A 20 LEU CD2 . 25543 1 205 . 1 1 15 15 LEU N N 15 121.172 0.300 . 1 . . . A 20 LEU N . 25543 1 206 . 1 1 16 16 ALA H H 1 7.864 0.030 . 1 . . . A 21 ALA H . 25543 1 207 . 1 1 16 16 ALA HA H 1 4.087 0.030 . 1 . . . A 21 ALA HA . 25543 1 208 . 1 1 16 16 ALA HB1 H 1 1.472 0.030 . 1 . . . A 21 ALA MB . 25543 1 209 . 1 1 16 16 ALA HB2 H 1 1.472 0.030 . 1 . . . A 21 ALA MB . 25543 1 210 . 1 1 16 16 ALA HB3 H 1 1.472 0.030 . 1 . . . A 21 ALA MB . 25543 1 211 . 1 1 16 16 ALA C C 13 177.689 0.300 . 1 . . . A 21 ALA C . 25543 1 212 . 1 1 16 16 ALA CA C 13 54.670 0.300 . 1 . . . A 21 ALA CA . 25543 1 213 . 1 1 16 16 ALA CB C 13 17.987 0.300 . 1 . . . A 21 ALA CB . 25543 1 214 . 1 1 16 16 ALA N N 15 120.754 0.300 . 1 . . . A 21 ALA N . 25543 1 215 . 1 1 17 17 LEU H H 1 7.901 0.030 . 1 . . . A 22 LEU H . 25543 1 216 . 1 1 17 17 LEU HA H 1 4.177 0.030 . 1 . . . A 22 LEU HA . 25543 1 217 . 1 1 17 17 LEU HB2 H 1 1.778 0.030 . 2 . . . A 22 LEU HB2 . 25543 1 218 . 1 1 17 17 LEU HB3 H 1 1.631 0.030 . 2 . . . A 22 LEU HB3 . 25543 1 219 . 1 1 17 17 LEU HG H 1 1.645 0.030 . 1 . . . A 22 LEU HG . 25543 1 220 . 1 1 17 17 LEU HD11 H 1 0.873 0.030 . 2 . . . A 22 LEU MD1 . 25543 1 221 . 1 1 17 17 LEU HD12 H 1 0.873 0.030 . 2 . . . A 22 LEU MD1 . 25543 1 222 . 1 1 17 17 LEU HD13 H 1 0.873 0.030 . 2 . . . A 22 LEU MD1 . 25543 1 223 . 1 1 17 17 LEU HD21 H 1 0.878 0.030 . 2 . . . A 22 LEU MD2 . 25543 1 224 . 1 1 17 17 LEU HD22 H 1 0.878 0.030 . 2 . . . A 22 LEU MD2 . 25543 1 225 . 1 1 17 17 LEU HD23 H 1 0.878 0.030 . 2 . . . A 22 LEU MD2 . 25543 1 226 . 1 1 17 17 LEU C C 13 175.842 0.300 . 1 . . . A 22 LEU C . 25543 1 227 . 1 1 17 17 LEU CA C 13 57.057 0.300 . 1 . . . A 22 LEU CA . 25543 1 228 . 1 1 17 17 LEU CB C 13 41.963 0.300 . 1 . . . A 22 LEU CB . 25543 1 229 . 1 1 17 17 LEU CG C 13 26.944 0.300 . 1 . . . A 22 LEU CG . 25543 1 230 . 1 1 17 17 LEU CD1 C 13 24.954 0.300 . 2 . . . A 22 LEU CD1 . 25543 1 231 . 1 1 17 17 LEU CD2 C 13 23.799 0.300 . 2 . . . A 22 LEU CD2 . 25543 1 232 . 1 1 17 17 LEU N N 15 119.357 0.300 . 1 . . . A 22 LEU N . 25543 1 233 . 1 1 18 18 ARG H H 1 7.890 0.030 . 1 . . . A 23 ARG H . 25543 1 234 . 1 1 18 18 ARG HA H 1 4.151 0.030 . 1 . . . A 23 ARG HA . 25543 1 235 . 1 1 18 18 ARG HB2 H 1 1.967 0.030 . 2 . . . A 23 ARG HB2 . 25543 1 236 . 1 1 18 18 ARG HB3 H 1 1.964 0.030 . 2 . . . A 23 ARG HB3 . 25543 1 237 . 1 1 18 18 ARG HG2 H 1 1.650 0.030 . 2 . . . A 23 ARG HG2 . 25543 1 238 . 1 1 18 18 ARG HG3 H 1 1.778 0.030 . 2 . . . A 23 ARG HG3 . 25543 1 239 . 1 1 18 18 ARG HD2 H 1 3.182 0.030 . 2 . . . A 23 ARG HD2 . 25543 1 240 . 1 1 18 18 ARG HD3 H 1 3.182 0.030 . 2 . . . A 23 ARG HD3 . 25543 1 241 . 1 1 18 18 ARG HE H 1 7.448 0.030 . 1 . . . A 23 ARG HE . 25543 1 242 . 1 1 18 18 ARG C C 13 176.236 0.300 . 1 . . . A 23 ARG C . 25543 1 243 . 1 1 18 18 ARG CA C 13 58.534 0.300 . 1 . . . A 23 ARG CA . 25543 1 244 . 1 1 18 18 ARG CB C 13 30.157 0.300 . 1 . . . A 23 ARG CB . 25543 1 245 . 1 1 18 18 ARG CG C 13 27.369 0.300 . 1 . . . A 23 ARG CG . 25543 1 246 . 1 1 18 18 ARG CD C 13 43.340 0.300 . 1 . . . A 23 ARG CD . 25543 1 247 . 1 1 18 18 ARG N N 15 120.416 0.300 . 1 . . . A 23 ARG N . 25543 1 248 . 1 1 18 18 ARG NE N 15 84.451 0.300 . 1 . . . A 23 ARG NE . 25543 1 249 . 1 1 19 19 ILE H H 1 8.254 0.030 . 1 . . . A 24 ILE H . 25543 1 250 . 1 1 19 19 ILE HA H 1 3.877 0.030 . 1 . . . A 24 ILE HA . 25543 1 251 . 1 1 19 19 ILE HB H 1 1.865 0.030 . 1 . . . A 24 ILE HB . 25543 1 252 . 1 1 19 19 ILE HG12 H 1 1.172 0.030 . 2 . . . A 24 ILE HG12 . 25543 1 253 . 1 1 19 19 ILE HG13 H 1 1.615 0.030 . 2 . . . A 24 ILE HG13 . 25543 1 254 . 1 1 19 19 ILE HG21 H 1 0.886 0.030 . 1 . . . A 24 ILE MG . 25543 1 255 . 1 1 19 19 ILE HG22 H 1 0.886 0.030 . 1 . . . A 24 ILE MG . 25543 1 256 . 1 1 19 19 ILE HG23 H 1 0.886 0.030 . 1 . . . A 24 ILE MG . 25543 1 257 . 1 1 19 19 ILE HD11 H 1 0.821 0.030 . 1 . . . A 24 ILE MD . 25543 1 258 . 1 1 19 19 ILE HD12 H 1 0.821 0.030 . 1 . . . A 24 ILE MD . 25543 1 259 . 1 1 19 19 ILE HD13 H 1 0.821 0.030 . 1 . . . A 24 ILE MD . 25543 1 260 . 1 1 19 19 ILE C C 13 174.946 0.300 . 1 . . . A 24 ILE C . 25543 1 261 . 1 1 19 19 ILE CA C 13 63.614 0.300 . 1 . . . A 24 ILE CA . 25543 1 262 . 1 1 19 19 ILE CB C 13 38.215 0.300 . 1 . . . A 24 ILE CB . 25543 1 263 . 1 1 19 19 ILE CG1 C 13 28.388 0.300 . 1 . . . A 24 ILE CG1 . 25543 1 264 . 1 1 19 19 ILE CG2 C 13 17.128 0.300 . 1 . . . A 24 ILE CG2 . 25543 1 265 . 1 1 19 19 ILE CD1 C 13 12.966 0.300 . 1 . . . A 24 ILE CD1 . 25543 1 266 . 1 1 19 19 ILE N N 15 121.088 0.300 . 1 . . . A 24 ILE N . 25543 1 267 . 1 1 20 20 ALA H H 1 8.053 0.030 . 1 . . . A 25 ALA H . 25543 1 268 . 1 1 20 20 ALA HA H 1 4.222 0.030 . 1 . . . A 25 ALA HA . 25543 1 269 . 1 1 20 20 ALA HB1 H 1 1.463 0.030 . 1 . . . A 25 ALA MB . 25543 1 270 . 1 1 20 20 ALA HB2 H 1 1.463 0.030 . 1 . . . A 25 ALA MB . 25543 1 271 . 1 1 20 20 ALA HB3 H 1 1.463 0.030 . 1 . . . A 25 ALA MB . 25543 1 272 . 1 1 20 20 ALA C C 13 176.883 0.300 . 1 . . . A 25 ALA C . 25543 1 273 . 1 1 20 20 ALA CA C 13 54.073 0.300 . 1 . . . A 25 ALA CA . 25543 1 274 . 1 1 20 20 ALA CB C 13 18.477 0.300 . 1 . . . A 25 ALA CB . 25543 1 275 . 1 1 20 20 ALA N N 15 124.216 0.300 . 1 . . . A 25 ALA N . 25543 1 276 . 1 1 21 21 GLN H H 1 8.269 0.030 . 1 . . . A 26 GLN H . 25543 1 277 . 1 1 21 21 GLN HA H 1 4.203 0.030 . 1 . . . A 26 GLN HA . 25543 1 278 . 1 1 21 21 GLN HB2 H 1 2.121 0.030 . 2 . . . A 26 GLN HB2 . 25543 1 279 . 1 1 21 21 GLN HB3 H 1 2.121 0.030 . 2 . . . A 26 GLN HB3 . 25543 1 280 . 1 1 21 21 GLN HG2 H 1 2.480 0.030 . 2 . . . A 26 GLN HG2 . 25543 1 281 . 1 1 21 21 GLN HG3 H 1 2.386 0.030 . 2 . . . A 26 GLN HG3 . 25543 1 282 . 1 1 21 21 GLN HE21 H 1 6.872 0.030 . 2 . . . A 26 GLN HE21 . 25543 1 283 . 1 1 21 21 GLN HE22 H 1 7.620 0.030 . 2 . . . A 26 GLN HE22 . 25543 1 284 . 1 1 21 21 GLN C C 13 174.564 0.300 . 1 . . . A 26 GLN C . 25543 1 285 . 1 1 21 21 GLN CA C 13 57.219 0.300 . 1 . . . A 26 GLN CA . 25543 1 286 . 1 1 21 21 GLN CB C 13 28.869 0.300 . 1 . . . A 26 GLN CB . 25543 1 287 . 1 1 21 21 GLN CG C 13 33.893 0.300 . 1 . . . A 26 GLN CG . 25543 1 288 . 1 1 21 21 GLN N N 15 118.617 0.300 . 1 . . . A 26 GLN N . 25543 1 289 . 1 1 21 21 GLN NE2 N 15 112.304 0.300 . 1 . . . A 26 GLN NE2 . 25543 1 290 . 1 1 22 22 SER H H 1 8.195 0.030 . 1 . . . A 27 SER H . 25543 1 291 . 1 1 22 22 SER HA H 1 4.350 0.030 . 1 . . . A 27 SER HA . 25543 1 292 . 1 1 22 22 SER HB2 H 1 3.939 0.030 . 2 . . . A 27 SER HB2 . 25543 1 293 . 1 1 22 22 SER HB3 H 1 3.973 0.030 . 2 . . . A 27 SER HB3 . 25543 1 294 . 1 1 22 22 SER C C 13 172.902 0.300 . 1 . . . A 27 SER C . 25543 1 295 . 1 1 22 22 SER CA C 13 59.941 0.300 . 1 . . . A 27 SER CA . 25543 1 296 . 1 1 22 22 SER CB C 13 63.458 0.300 . 1 . . . A 27 SER CB . 25543 1 297 . 1 1 22 22 SER N N 15 116.340 0.300 . 1 . . . A 27 SER N . 25543 1 298 . 1 1 23 23 GLU H H 1 8.316 0.030 . 1 . . . A 28 GLU H . 25543 1 299 . 1 1 23 23 GLU HA H 1 4.167 0.030 . 1 . . . A 28 GLU HA . 25543 1 300 . 1 1 23 23 GLU HB2 H 1 2.020 0.030 . 2 . . . A 28 GLU HB2 . 25543 1 301 . 1 1 23 23 GLU HB3 H 1 2.020 0.030 . 2 . . . A 28 GLU HB3 . 25543 1 302 . 1 1 23 23 GLU HG2 H 1 2.363 0.030 . 2 . . . A 28 GLU HG2 . 25543 1 303 . 1 1 23 23 GLU HG3 H 1 2.235 0.030 . 2 . . . A 28 GLU HG3 . 25543 1 304 . 1 1 23 23 GLU C C 13 174.568 0.300 . 1 . . . A 28 GLU C . 25543 1 305 . 1 1 23 23 GLU CA C 13 57.876 0.300 . 1 . . . A 28 GLU CA . 25543 1 306 . 1 1 23 23 GLU CB C 13 29.960 0.300 . 1 . . . A 28 GLU CB . 25543 1 307 . 1 1 23 23 GLU CG C 13 36.409 0.300 . 1 . . . A 28 GLU CG . 25543 1 308 . 1 1 23 23 GLU N N 15 122.168 0.300 . 1 . . . A 28 GLU N . 25543 1 309 . 1 1 24 24 ALA H H 1 8.029 0.030 . 1 . . . A 29 ALA H . 25543 1 310 . 1 1 24 24 ALA HA H 1 4.203 0.030 . 1 . . . A 29 ALA HA . 25543 1 311 . 1 1 24 24 ALA HB1 H 1 1.415 0.030 . 1 . . . A 29 ALA MB . 25543 1 312 . 1 1 24 24 ALA HB2 H 1 1.415 0.030 . 1 . . . A 29 ALA MB . 25543 1 313 . 1 1 24 24 ALA HB3 H 1 1.415 0.030 . 1 . . . A 29 ALA MB . 25543 1 314 . 1 1 24 24 ALA C C 13 176.938 0.300 . 1 . . . A 29 ALA C . 25543 1 315 . 1 1 24 24 ALA CA C 13 53.357 0.300 . 1 . . . A 29 ALA CA . 25543 1 316 . 1 1 24 24 ALA CB C 13 18.853 0.300 . 1 . . . A 29 ALA CB . 25543 1 317 . 1 1 24 24 ALA N N 15 122.950 0.300 . 1 . . . A 29 ALA N . 25543 1 318 . 1 1 25 25 GLU H H 1 8.104 0.030 . 1 . . . A 30 GLU H . 25543 1 319 . 1 1 25 25 GLU HA H 1 4.154 0.030 . 1 . . . A 30 GLU HA . 25543 1 320 . 1 1 25 25 GLU HB2 H 1 1.998 0.030 . 2 . . . A 30 GLU HB2 . 25543 1 321 . 1 1 25 25 GLU HB3 H 1 2.015 0.030 . 2 . . . A 30 GLU HB3 . 25543 1 322 . 1 1 25 25 GLU HG2 H 1 2.234 0.030 . 2 . . . A 30 GLU HG2 . 25543 1 323 . 1 1 25 25 GLU HG3 H 1 2.346 0.030 . 2 . . . A 30 GLU HG3 . 25543 1 324 . 1 1 25 25 GLU C C 13 174.531 0.300 . 1 . . . A 30 GLU C . 25543 1 325 . 1 1 25 25 GLU CA C 13 57.089 0.300 . 1 . . . A 30 GLU CA . 25543 1 326 . 1 1 25 25 GLU CB C 13 29.941 0.300 . 1 . . . A 30 GLU CB . 25543 1 327 . 1 1 25 25 GLU CG C 13 36.369 0.300 . 1 . . . A 30 GLU CG . 25543 1 328 . 1 1 25 25 GLU N N 15 119.092 0.300 . 1 . . . A 30 GLU N . 25543 1 329 . 1 1 26 26 LEU H H 1 8.016 0.030 . 1 . . . A 31 LEU H . 25543 1 330 . 1 1 26 26 LEU HA H 1 4.288 0.030 . 1 . . . A 31 LEU HA . 25543 1 331 . 1 1 26 26 LEU HB2 H 1 1.566 0.030 . 2 . . . A 31 LEU HB2 . 25543 1 332 . 1 1 26 26 LEU HB3 H 1 1.681 0.030 . 2 . . . A 31 LEU HB3 . 25543 1 333 . 1 1 26 26 LEU HG H 1 1.602 0.030 . 1 . . . A 31 LEU HG . 25543 1 334 . 1 1 26 26 LEU HD11 H 1 0.883 0.030 . 2 . . . A 31 LEU MD1 . 25543 1 335 . 1 1 26 26 LEU HD12 H 1 0.883 0.030 . 2 . . . A 31 LEU MD1 . 25543 1 336 . 1 1 26 26 LEU HD13 H 1 0.883 0.030 . 2 . . . A 31 LEU MD1 . 25543 1 337 . 1 1 26 26 LEU HD21 H 1 0.838 0.030 . 2 . . . A 31 LEU MD2 . 25543 1 338 . 1 1 26 26 LEU HD22 H 1 0.838 0.030 . 2 . . . A 31 LEU MD2 . 25543 1 339 . 1 1 26 26 LEU HD23 H 1 0.838 0.030 . 2 . . . A 31 LEU MD2 . 25543 1 340 . 1 1 26 26 LEU C C 13 176.006 0.300 . 1 . . . A 31 LEU C . 25543 1 341 . 1 1 26 26 LEU CA C 13 55.698 0.300 . 1 . . . A 31 LEU CA . 25543 1 342 . 1 1 26 26 LEU CB C 13 42.118 0.300 . 1 . . . A 31 LEU CB . 25543 1 343 . 1 1 26 26 LEU CG C 13 26.732 0.300 . 1 . . . A 31 LEU CG . 25543 1 344 . 1 1 26 26 LEU CD1 C 13 25.007 0.300 . 2 . . . A 31 LEU CD1 . 25543 1 345 . 1 1 26 26 LEU CD2 C 13 23.694 0.300 . 2 . . . A 31 LEU CD2 . 25543 1 346 . 1 1 26 26 LEU N N 15 122.322 0.300 . 1 . . . A 31 LEU N . 25543 1 347 . 1 1 27 27 ILE H H 1 8.050 0.030 . 1 . . . A 32 ILE H . 25543 1 348 . 1 1 27 27 ILE HA H 1 4.152 0.030 . 1 . . . A 32 ILE HA . 25543 1 349 . 1 1 27 27 ILE HB H 1 1.881 0.030 . 1 . . . A 32 ILE HB . 25543 1 350 . 1 1 27 27 ILE HG12 H 1 1.497 0.030 . 2 . . . A 32 ILE HG12 . 25543 1 351 . 1 1 27 27 ILE HG13 H 1 1.184 0.030 . 2 . . . A 32 ILE HG13 . 25543 1 352 . 1 1 27 27 ILE HG21 H 1 0.895 0.030 . 1 . . . A 32 ILE MG . 25543 1 353 . 1 1 27 27 ILE HG22 H 1 0.895 0.030 . 1 . . . A 32 ILE MG . 25543 1 354 . 1 1 27 27 ILE HG23 H 1 0.895 0.030 . 1 . . . A 32 ILE MG . 25543 1 355 . 1 1 27 27 ILE HD11 H 1 0.813 0.030 . 1 . . . A 32 ILE MD . 25543 1 356 . 1 1 27 27 ILE HD12 H 1 0.813 0.030 . 1 . . . A 32 ILE MD . 25543 1 357 . 1 1 27 27 ILE HD13 H 1 0.813 0.030 . 1 . . . A 32 ILE MD . 25543 1 358 . 1 1 27 27 ILE CA C 13 61.344 0.300 . 1 . . . A 32 ILE CA . 25543 1 359 . 1 1 27 27 ILE CB C 13 38.529 0.300 . 1 . . . A 32 ILE CB . 25543 1 360 . 1 1 27 27 ILE CG1 C 13 27.366 0.300 . 1 . . . A 32 ILE CG1 . 25543 1 361 . 1 1 27 27 ILE CG2 C 13 17.429 0.300 . 1 . . . A 32 ILE CG2 . 25543 1 362 . 1 1 27 27 ILE CD1 C 13 12.865 0.300 . 1 . . . A 32 ILE CD1 . 25543 1 363 . 1 1 27 27 ILE N N 15 121.365 0.300 . 1 . . . A 32 ILE N . 25543 1 364 . 1 1 28 28 SER H H 1 8.391 0.030 . 1 . . . A 33 SER H . 25543 1 365 . 1 1 28 28 SER HA H 1 4.409 0.030 . 1 . . . A 33 SER HA . 25543 1 366 . 1 1 28 28 SER HB2 H 1 4.011 0.030 . 2 . . . A 33 SER HB2 . 25543 1 367 . 1 1 28 28 SER HB3 H 1 3.896 0.030 . 2 . . . A 33 SER HB3 . 25543 1 368 . 1 1 28 28 SER CA C 13 58.468 0.300 . 1 . . . A 33 SER CA . 25543 1 369 . 1 1 28 28 SER CB C 13 64.021 0.300 . 1 . . . A 33 SER CB . 25543 1 370 . 1 1 28 28 SER N N 15 120.203 0.300 . 1 . . . A 33 SER N . 25543 1 371 . 1 1 29 29 ASP H H 1 8.629 0.030 . 1 . . . A 34 ASP H . 25543 1 372 . 1 1 29 29 ASP HA H 1 4.494 0.030 . 1 . . . A 34 ASP HA . 25543 1 373 . 1 1 29 29 ASP HB2 H 1 2.678 0.030 . 2 . . . A 34 ASP HB2 . 25543 1 374 . 1 1 29 29 ASP HB3 H 1 2.678 0.030 . 2 . . . A 34 ASP HB3 . 25543 1 375 . 1 1 29 29 ASP C C 13 175.121 0.300 . 1 . . . A 34 ASP C . 25543 1 376 . 1 1 29 29 ASP CA C 13 55.680 0.300 . 1 . . . A 34 ASP CA . 25543 1 377 . 1 1 29 29 ASP CB C 13 40.678 0.300 . 1 . . . A 34 ASP CB . 25543 1 378 . 1 1 29 29 ASP N N 15 123.136 0.300 . 1 . . . A 34 ASP N . 25543 1 379 . 1 1 30 30 GLU H H 1 8.579 0.030 . 1 . . . A 35 GLU H . 25543 1 380 . 1 1 30 30 GLU HA H 1 4.108 0.030 . 1 . . . A 35 GLU HA . 25543 1 381 . 1 1 30 30 GLU HB2 H 1 1.966 0.030 . 2 . . . A 35 GLU HB2 . 25543 1 382 . 1 1 30 30 GLU HB3 H 1 2.006 0.030 . 2 . . . A 35 GLU HB3 . 25543 1 383 . 1 1 30 30 GLU HG2 H 1 2.297 0.030 . 2 . . . A 35 GLU HG2 . 25543 1 384 . 1 1 30 30 GLU HG3 H 1 2.261 0.030 . 2 . . . A 35 GLU HG3 . 25543 1 385 . 1 1 30 30 GLU C C 13 174.886 0.300 . 1 . . . A 35 GLU C . 25543 1 386 . 1 1 30 30 GLU CA C 13 58.585 0.300 . 1 . . . A 35 GLU CA . 25543 1 387 . 1 1 30 30 GLU CB C 13 29.533 0.300 . 1 . . . A 35 GLU CB . 25543 1 388 . 1 1 30 30 GLU CG C 13 36.571 0.300 . 1 . . . A 35 GLU CG . 25543 1 389 . 1 1 30 30 GLU N N 15 121.638 0.300 . 1 . . . A 35 GLU N . 25543 1 390 . 1 1 31 31 ALA H H 1 8.235 0.030 . 1 . . . A 36 ALA H . 25543 1 391 . 1 1 31 31 ALA HA H 1 4.229 0.030 . 1 . . . A 36 ALA HA . 25543 1 392 . 1 1 31 31 ALA HB1 H 1 1.443 0.030 . 1 . . . A 36 ALA MB . 25543 1 393 . 1 1 31 31 ALA HB2 H 1 1.443 0.030 . 1 . . . A 36 ALA MB . 25543 1 394 . 1 1 31 31 ALA HB3 H 1 1.443 0.030 . 1 . . . A 36 ALA MB . 25543 1 395 . 1 1 31 31 ALA C C 13 177.012 0.300 . 1 . . . A 36 ALA C . 25543 1 396 . 1 1 31 31 ALA CA C 13 53.808 0.300 . 1 . . . A 36 ALA CA . 25543 1 397 . 1 1 31 31 ALA CB C 13 18.545 0.300 . 1 . . . A 36 ALA CB . 25543 1 398 . 1 1 31 31 ALA N N 15 123.946 0.300 . 1 . . . A 36 ALA N . 25543 1 399 . 1 1 32 32 GLN H H 1 8.295 0.030 . 1 . . . A 37 GLN H . 25543 1 400 . 1 1 32 32 GLN HA H 1 4.126 0.030 . 1 . . . A 37 GLN HA . 25543 1 401 . 1 1 32 32 GLN HB2 H 1 2.065 0.030 . 2 . . . A 37 GLN HB2 . 25543 1 402 . 1 1 32 32 GLN HB3 H 1 2.140 0.030 . 2 . . . A 37 GLN HB3 . 25543 1 403 . 1 1 32 32 GLN HG2 H 1 2.385 0.030 . 2 . . . A 37 GLN HG2 . 25543 1 404 . 1 1 32 32 GLN HG3 H 1 2.441 0.030 . 2 . . . A 37 GLN HG3 . 25543 1 405 . 1 1 32 32 GLN HE21 H 1 6.900 0.030 . 2 . . . A 37 GLN HE21 . 25543 1 406 . 1 1 32 32 GLN HE22 H 1 7.571 0.030 . 2 . . . A 37 GLN HE22 . 25543 1 407 . 1 1 32 32 GLN C C 13 174.897 0.300 . 1 . . . A 37 GLN C . 25543 1 408 . 1 1 32 32 GLN CA C 13 57.401 0.300 . 1 . . . A 37 GLN CA . 25543 1 409 . 1 1 32 32 GLN CB C 13 28.781 0.300 . 1 . . . A 37 GLN CB . 25543 1 410 . 1 1 32 32 GLN CG C 13 33.868 0.300 . 1 . . . A 37 GLN CG . 25543 1 411 . 1 1 32 32 GLN N N 15 118.885 0.300 . 1 . . . A 37 GLN N . 25543 1 412 . 1 1 32 32 GLN NE2 N 15 112.995 0.300 . 1 . . . A 37 GLN NE2 . 25543 1 413 . 1 1 33 33 ALA H H 1 8.217 0.030 . 1 . . . A 38 ALA H . 25543 1 414 . 1 1 33 33 ALA HA H 1 4.174 0.030 . 1 . . . A 38 ALA HA . 25543 1 415 . 1 1 33 33 ALA HB1 H 1 1.434 0.030 . 1 . . . A 38 ALA MB . 25543 1 416 . 1 1 33 33 ALA HB2 H 1 1.434 0.030 . 1 . . . A 38 ALA MB . 25543 1 417 . 1 1 33 33 ALA HB3 H 1 1.434 0.030 . 1 . . . A 38 ALA MB . 25543 1 418 . 1 1 33 33 ALA CA C 13 54.096 0.300 . 1 . . . A 38 ALA CA . 25543 1 419 . 1 1 33 33 ALA CB C 13 18.456 0.300 . 1 . . . A 38 ALA CB . 25543 1 420 . 1 1 33 33 ALA N N 15 124.163 0.300 . 1 . . . A 38 ALA N . 25543 1 421 . 1 1 34 34 ASP H H 1 8.145 0.030 . 1 . . . A 39 ASP H . 25543 1 422 . 1 1 34 34 ASP HA H 1 4.476 0.030 . 1 . . . A 39 ASP HA . 25543 1 423 . 1 1 34 34 ASP HB2 H 1 2.682 0.030 . 2 . . . A 39 ASP HB2 . 25543 1 424 . 1 1 34 34 ASP HB3 H 1 2.682 0.030 . 2 . . . A 39 ASP HB3 . 25543 1 425 . 1 1 34 34 ASP CA C 13 55.844 0.300 . 1 . . . A 39 ASP CA . 25543 1 426 . 1 1 34 34 ASP CB C 13 40.979 0.300 . 1 . . . A 39 ASP CB . 25543 1 427 . 1 1 34 34 ASP N N 15 119.226 0.300 . 1 . . . A 39 ASP N . 25543 1 428 . 1 1 35 35 LEU H H 1 8.018 0.030 . 1 . . . A 40 LEU H . 25543 1 429 . 1 1 35 35 LEU HA H 1 4.065 0.030 . 1 . . . A 40 LEU HA . 25543 1 430 . 1 1 35 35 LEU HB2 H 1 1.593 0.030 . 2 . . . A 40 LEU HB2 . 25543 1 431 . 1 1 35 35 LEU HB3 H 1 1.709 0.030 . 2 . . . A 40 LEU HB3 . 25543 1 432 . 1 1 35 35 LEU HG H 1 1.642 0.030 . 1 . . . A 40 LEU HG . 25543 1 433 . 1 1 35 35 LEU HD11 H 1 0.887 0.030 . 2 . . . A 40 LEU MD1 . 25543 1 434 . 1 1 35 35 LEU HD12 H 1 0.887 0.030 . 2 . . . A 40 LEU MD1 . 25543 1 435 . 1 1 35 35 LEU HD13 H 1 0.887 0.030 . 2 . . . A 40 LEU MD1 . 25543 1 436 . 1 1 35 35 LEU HD21 H 1 0.847 0.030 . 2 . . . A 40 LEU MD2 . 25543 1 437 . 1 1 35 35 LEU HD22 H 1 0.847 0.030 . 2 . . . A 40 LEU MD2 . 25543 1 438 . 1 1 35 35 LEU HD23 H 1 0.847 0.030 . 2 . . . A 40 LEU MD2 . 25543 1 439 . 1 1 35 35 LEU CA C 13 57.130 0.300 . 1 . . . A 40 LEU CA . 25543 1 440 . 1 1 35 35 LEU CB C 13 41.962 0.300 . 1 . . . A 40 LEU CB . 25543 1 441 . 1 1 35 35 LEU CG C 13 26.868 0.300 . 1 . . . A 40 LEU CG . 25543 1 442 . 1 1 35 35 LEU CD1 C 13 24.632 0.300 . 2 . . . A 40 LEU CD1 . 25543 1 443 . 1 1 35 35 LEU CD2 C 13 23.819 0.300 . 2 . . . A 40 LEU CD2 . 25543 1 444 . 1 1 35 35 LEU N N 15 121.976 0.300 . 1 . . . A 40 LEU N . 25543 1 445 . 1 1 36 36 ALA H H 1 8.076 0.030 . 1 . . . A 41 ALA H . 25543 1 446 . 1 1 36 36 ALA HA H 1 4.100 0.030 . 1 . . . A 41 ALA HA . 25543 1 447 . 1 1 36 36 ALA HB1 H 1 1.429 0.030 . 1 . . . A 41 ALA MB . 25543 1 448 . 1 1 36 36 ALA HB2 H 1 1.429 0.030 . 1 . . . A 41 ALA MB . 25543 1 449 . 1 1 36 36 ALA HB3 H 1 1.429 0.030 . 1 . . . A 41 ALA MB . 25543 1 450 . 1 1 36 36 ALA CA C 13 54.059 0.300 . 1 . . . A 41 ALA CA . 25543 1 451 . 1 1 36 36 ALA CB C 13 18.196 0.300 . 1 . . . A 41 ALA CB . 25543 1 452 . 1 1 36 36 ALA N N 15 121.547 0.300 . 1 . . . A 41 ALA N . 25543 1 453 . 1 1 37 37 LEU H H 1 7.832 0.030 . 1 . . . A 42 LEU H . 25543 1 454 . 1 1 37 37 LEU HA H 1 4.197 0.030 . 1 . . . A 42 LEU HA . 25543 1 455 . 1 1 37 37 LEU HB2 H 1 1.701 0.030 . 2 . . . A 42 LEU HB2 . 25543 1 456 . 1 1 37 37 LEU HB3 H 1 1.701 0.030 . 2 . . . A 42 LEU HB3 . 25543 1 457 . 1 1 37 37 LEU HG H 1 1.623 0.030 . 1 . . . A 42 LEU HG . 25543 1 458 . 1 1 37 37 LEU HD11 H 1 0.873 0.030 . 2 . . . A 42 LEU MD1 . 25543 1 459 . 1 1 37 37 LEU HD12 H 1 0.873 0.030 . 2 . . . A 42 LEU MD1 . 25543 1 460 . 1 1 37 37 LEU HD13 H 1 0.873 0.030 . 2 . . . A 42 LEU MD1 . 25543 1 461 . 1 1 37 37 LEU HD21 H 1 0.906 0.030 . 2 . . . A 42 LEU MD2 . 25543 1 462 . 1 1 37 37 LEU HD22 H 1 0.906 0.030 . 2 . . . A 42 LEU MD2 . 25543 1 463 . 1 1 37 37 LEU HD23 H 1 0.906 0.030 . 2 . . . A 42 LEU MD2 . 25543 1 464 . 1 1 37 37 LEU CA C 13 56.402 0.300 . 1 . . . A 42 LEU CA . 25543 1 465 . 1 1 37 37 LEU CB C 13 42.026 0.300 . 1 . . . A 42 LEU CB . 25543 1 466 . 1 1 37 37 LEU CG C 13 27.136 0.300 . 1 . . . A 42 LEU CG . 25543 1 467 . 1 1 37 37 LEU CD1 C 13 24.697 0.300 . 2 . . . A 42 LEU CD1 . 25543 1 468 . 1 1 37 37 LEU CD2 C 13 24.515 0.300 . 2 . . . A 42 LEU CD2 . 25543 1 469 . 1 1 37 37 LEU N N 15 119.599 0.300 . 1 . . . A 42 LEU N . 25543 1 470 . 1 1 38 38 ARG H H 1 8.047 0.030 . 1 . . . A 43 ARG H . 25543 1 471 . 1 1 38 38 ARG HA H 1 4.121 0.030 . 1 . . . A 43 ARG HA . 25543 1 472 . 1 1 38 38 ARG HB2 H 1 1.871 0.030 . 2 . . . A 43 ARG HB2 . 25543 1 473 . 1 1 38 38 ARG HB3 H 1 1.836 0.030 . 2 . . . A 43 ARG HB3 . 25543 1 474 . 1 1 38 38 ARG HG2 H 1 1.620 0.030 . 2 . . . A 43 ARG HG2 . 25543 1 475 . 1 1 38 38 ARG HG3 H 1 1.706 0.030 . 2 . . . A 43 ARG HG3 . 25543 1 476 . 1 1 38 38 ARG HD2 H 1 3.135 0.030 . 2 . . . A 43 ARG HD2 . 25543 1 477 . 1 1 38 38 ARG HD3 H 1 3.135 0.030 . 2 . . . A 43 ARG HD3 . 25543 1 478 . 1 1 38 38 ARG CA C 13 57.678 0.300 . 1 . . . A 43 ARG CA . 25543 1 479 . 1 1 38 38 ARG CB C 13 30.194 0.300 . 1 . . . A 43 ARG CB . 25543 1 480 . 1 1 38 38 ARG CG C 13 27.353 0.300 . 1 . . . A 43 ARG CG . 25543 1 481 . 1 1 38 38 ARG CD C 13 43.426 0.300 . 1 . . . A 43 ARG CD . 25543 1 482 . 1 1 38 38 ARG N N 15 120.126 0.300 . 1 . . . A 43 ARG N . 25543 1 483 . 1 1 39 39 ARG H H 1 8.206 0.030 . 1 . . . A 44 ARG H . 25543 1 484 . 1 1 39 39 ARG HA H 1 4.239 0.030 . 1 . . . A 44 ARG HA . 25543 1 485 . 1 1 39 39 ARG HB2 H 1 1.799 0.030 . 2 . . . A 44 ARG HB2 . 25543 1 486 . 1 1 39 39 ARG HB3 H 1 1.844 0.030 . 2 . . . A 44 ARG HB3 . 25543 1 487 . 1 1 39 39 ARG HG2 H 1 1.588 0.030 . 2 . . . A 44 ARG HG2 . 25543 1 488 . 1 1 39 39 ARG HG3 H 1 1.688 0.030 . 2 . . . A 44 ARG HG3 . 25543 1 489 . 1 1 39 39 ARG HD2 H 1 3.135 0.030 . 2 . . . A 44 ARG HD2 . 25543 1 490 . 1 1 39 39 ARG HD3 H 1 3.135 0.030 . 2 . . . A 44 ARG HD3 . 25543 1 491 . 1 1 39 39 ARG C C 13 173.165 0.300 . 1 . . . A 44 ARG C . 25543 1 492 . 1 1 39 39 ARG CA C 13 57.111 0.300 . 1 . . . A 44 ARG CA . 25543 1 493 . 1 1 39 39 ARG CB C 13 30.592 0.300 . 1 . . . A 44 ARG CB . 25543 1 494 . 1 1 39 39 ARG CG C 13 27.345 0.300 . 1 . . . A 44 ARG CG . 25543 1 495 . 1 1 39 39 ARG CD C 13 43.373 0.300 . 1 . . . A 44 ARG CD . 25543 1 496 . 1 1 39 39 ARG N N 15 120.206 0.300 . 1 . . . A 44 ARG N . 25543 1 497 . 1 1 40 40 SER H H 1 8.171 0.030 . 1 . . . A 45 SER H . 25543 1 498 . 1 1 40 40 SER HA H 1 4.369 0.030 . 1 . . . A 45 SER HA . 25543 1 499 . 1 1 40 40 SER HB2 H 1 3.935 0.030 . 2 . . . A 45 SER HB2 . 25543 1 500 . 1 1 40 40 SER HB3 H 1 3.935 0.030 . 2 . . . A 45 SER HB3 . 25543 1 501 . 1 1 40 40 SER C C 13 170.903 0.300 . 1 . . . A 45 SER C . 25543 1 502 . 1 1 40 40 SER CA C 13 59.151 0.300 . 1 . . . A 45 SER CA . 25543 1 503 . 1 1 40 40 SER CB C 13 63.539 0.300 . 1 . . . A 45 SER CB . 25543 1 504 . 1 1 40 40 SER N N 15 116.312 0.300 . 1 . . . A 45 SER N . 25543 1 505 . 1 1 41 41 LEU H H 1 8.168 0.030 . 1 . . . A 46 LEU H . 25543 1 506 . 1 1 41 41 LEU HA H 1 4.290 0.030 . 1 . . . A 46 LEU HA . 25543 1 507 . 1 1 41 41 LEU HB2 H 1 1.683 0.030 . 2 . . . A 46 LEU HB2 . 25543 1 508 . 1 1 41 41 LEU HB3 H 1 1.559 0.030 . 2 . . . A 46 LEU HB3 . 25543 1 509 . 1 1 41 41 LEU HG H 1 1.688 0.030 . 1 . . . A 46 LEU HG . 25543 1 510 . 1 1 41 41 LEU HD11 H 1 0.852 0.030 . 2 . . . A 46 LEU MD1 . 25543 1 511 . 1 1 41 41 LEU HD12 H 1 0.852 0.030 . 2 . . . A 46 LEU MD1 . 25543 1 512 . 1 1 41 41 LEU HD13 H 1 0.852 0.030 . 2 . . . A 46 LEU MD1 . 25543 1 513 . 1 1 41 41 LEU HD21 H 1 0.824 0.030 . 2 . . . A 46 LEU MD2 . 25543 1 514 . 1 1 41 41 LEU HD22 H 1 0.824 0.030 . 2 . . . A 46 LEU MD2 . 25543 1 515 . 1 1 41 41 LEU HD23 H 1 0.824 0.030 . 2 . . . A 46 LEU MD2 . 25543 1 516 . 1 1 41 41 LEU CA C 13 55.719 0.300 . 1 . . . A 46 LEU CA . 25543 1 517 . 1 1 41 41 LEU CB C 13 42.071 0.300 . 1 . . . A 46 LEU CB . 25543 1 518 . 1 1 41 41 LEU CG C 13 26.879 0.300 . 1 . . . A 46 LEU CG . 25543 1 519 . 1 1 41 41 LEU CD1 C 13 23.608 0.300 . 2 . . . A 46 LEU CD1 . 25543 1 520 . 1 1 41 41 LEU CD2 C 13 23.043 0.300 . 2 . . . A 46 LEU CD2 . 25543 1 521 . 1 1 41 41 LEU N N 15 123.524 0.300 . 1 . . . A 46 LEU N . 25543 1 522 . 1 1 42 42 ASP H H 1 8.154 0.030 . 1 . . . A 47 ASP H . 25543 1 523 . 1 1 42 42 ASP HA H 1 4.537 0.030 . 1 . . . A 47 ASP HA . 25543 1 524 . 1 1 42 42 ASP HB2 H 1 2.600 0.030 . 2 . . . A 47 ASP HB2 . 25543 1 525 . 1 1 42 42 ASP HB3 H 1 2.648 0.030 . 2 . . . A 47 ASP HB3 . 25543 1 526 . 1 1 42 42 ASP C C 13 173.143 0.300 . 1 . . . A 47 ASP C . 25543 1 527 . 1 1 42 42 ASP CA C 13 54.739 0.300 . 1 . . . A 47 ASP CA . 25543 1 528 . 1 1 42 42 ASP CB C 13 40.937 0.300 . 1 . . . A 47 ASP CB . 25543 1 529 . 1 1 42 42 ASP N N 15 119.853 0.300 . 1 . . . A 47 ASP N . 25543 1 530 . 1 1 43 43 SER H H 1 7.960 0.030 . 1 . . . A 48 SER H . 25543 1 531 . 1 1 43 43 SER HA H 1 4.340 0.030 . 1 . . . A 48 SER HA . 25543 1 532 . 1 1 43 43 SER HB2 H 1 3.722 0.030 . 2 . . . A 48 SER HB2 . 25543 1 533 . 1 1 43 43 SER HB3 H 1 3.762 0.030 . 2 . . . A 48 SER HB3 . 25543 1 534 . 1 1 43 43 SER C C 13 170.816 0.300 . 1 . . . A 48 SER C . 25543 1 535 . 1 1 43 43 SER CA C 13 58.345 0.300 . 1 . . . A 48 SER CA . 25543 1 536 . 1 1 43 43 SER CB C 13 63.835 0.300 . 1 . . . A 48 SER CB . 25543 1 537 . 1 1 43 43 SER N N 15 114.867 0.300 . 1 . . . A 48 SER N . 25543 1 538 . 1 1 44 44 TYR H H 1 8.102 0.030 . 1 . . . A 49 TYR H . 25543 1 539 . 1 1 44 44 TYR HA H 1 4.735 0.030 . 1 . . . A 49 TYR HA . 25543 1 540 . 1 1 44 44 TYR HB2 H 1 3.022 0.030 . 2 . . . A 49 TYR HB2 . 25543 1 541 . 1 1 44 44 TYR HB3 H 1 2.856 0.030 . 2 . . . A 49 TYR HB3 . 25543 1 542 . 1 1 44 44 TYR HD1 H 1 7.123 0.030 . 3 . . . A 49 TYR HD1 . 25543 1 543 . 1 1 44 44 TYR HD2 H 1 7.123 0.030 . 3 . . . A 49 TYR HD2 . 25543 1 544 . 1 1 44 44 TYR HE1 H 1 6.781 0.030 . 3 . . . A 49 TYR HE1 . 25543 1 545 . 1 1 44 44 TYR HE2 H 1 6.781 0.030 . 3 . . . A 49 TYR HE2 . 25543 1 546 . 1 1 44 44 TYR CA C 13 56.141 0.300 . 1 . . . A 49 TYR CA . 25543 1 547 . 1 1 44 44 TYR CB C 13 38.144 0.300 . 1 . . . A 49 TYR CB . 25543 1 548 . 1 1 44 44 TYR CD1 C 13 133.425 0.300 . 3 . . . A 49 TYR CD1 . 25543 1 549 . 1 1 44 44 TYR CD2 C 13 133.425 0.300 . 3 . . . A 49 TYR CD2 . 25543 1 550 . 1 1 44 44 TYR CE1 C 13 118.131 0.300 . 3 . . . A 49 TYR CE1 . 25543 1 551 . 1 1 44 44 TYR CE2 C 13 118.131 0.300 . 3 . . . A 49 TYR CE2 . 25543 1 552 . 1 1 44 44 TYR N N 15 123.355 0.300 . 1 . . . A 49 TYR N . 25543 1 553 . 1 1 45 45 PRO HA H 1 4.427 0.030 . 1 . . . A 50 PRO HA . 25543 1 554 . 1 1 45 45 PRO HB2 H 1 2.210 0.030 . 2 . . . A 50 PRO HB2 . 25543 1 555 . 1 1 45 45 PRO HB3 H 1 1.846 0.030 . 2 . . . A 50 PRO HB3 . 25543 1 556 . 1 1 45 45 PRO HG2 H 1 1.930 0.030 . 2 . . . A 50 PRO HG2 . 25543 1 557 . 1 1 45 45 PRO HG3 H 1 1.930 0.030 . 2 . . . A 50 PRO HG3 . 25543 1 558 . 1 1 45 45 PRO HD2 H 1 3.381 0.030 . 2 . . . A 50 PRO HD2 . 25543 1 559 . 1 1 45 45 PRO HD3 H 1 3.687 0.030 . 2 . . . A 50 PRO HD3 . 25543 1 560 . 1 1 45 45 PRO C C 13 173.908 0.300 . 1 . . . A 50 PRO C . 25543 1 561 . 1 1 45 45 PRO CA C 13 63.045 0.300 . 1 . . . A 50 PRO CA . 25543 1 562 . 1 1 45 45 PRO CB C 13 31.892 0.300 . 1 . . . A 50 PRO CB . 25543 1 563 . 1 1 45 45 PRO CG C 13 27.387 0.300 . 1 . . . A 50 PRO CG . 25543 1 564 . 1 1 45 45 PRO CD C 13 50.512 0.300 . 1 . . . A 50 PRO CD . 25543 1 565 . 1 1 46 46 VAL H H 1 8.270 0.030 . 1 . . . A 51 VAL H . 25543 1 566 . 1 1 46 46 VAL HA H 1 4.088 0.030 . 1 . . . A 51 VAL HA . 25543 1 567 . 1 1 46 46 VAL HB H 1 2.044 0.030 . 1 . . . A 51 VAL HB . 25543 1 568 . 1 1 46 46 VAL HG11 H 1 0.948 0.030 . 2 . . . A 51 VAL MG1 . 25543 1 569 . 1 1 46 46 VAL HG12 H 1 0.948 0.030 . 2 . . . A 51 VAL MG1 . 25543 1 570 . 1 1 46 46 VAL HG13 H 1 0.948 0.030 . 2 . . . A 51 VAL MG1 . 25543 1 571 . 1 1 46 46 VAL HG21 H 1 0.926 0.030 . 2 . . . A 51 VAL MG2 . 25543 1 572 . 1 1 46 46 VAL HG22 H 1 0.926 0.030 . 2 . . . A 51 VAL MG2 . 25543 1 573 . 1 1 46 46 VAL HG23 H 1 0.926 0.030 . 2 . . . A 51 VAL MG2 . 25543 1 574 . 1 1 46 46 VAL C C 13 173.504 0.300 . 1 . . . A 51 VAL C . 25543 1 575 . 1 1 46 46 VAL CA C 13 62.302 0.300 . 1 . . . A 51 VAL CA . 25543 1 576 . 1 1 46 46 VAL CB C 13 32.866 0.300 . 1 . . . A 51 VAL CB . 25543 1 577 . 1 1 46 46 VAL CG1 C 13 20.621 0.300 . 2 . . . A 51 VAL CG1 . 25543 1 578 . 1 1 46 46 VAL CG2 C 13 21.148 0.300 . 2 . . . A 51 VAL CG2 . 25543 1 579 . 1 1 46 46 VAL N N 15 120.746 0.300 . 1 . . . A 51 VAL N . 25543 1 580 . 1 1 47 47 SER H H 1 8.493 0.030 . 1 . . . A 52 SER H . 25543 1 581 . 1 1 47 47 SER HA H 1 4.429 0.030 . 1 . . . A 52 SER HA . 25543 1 582 . 1 1 47 47 SER HB2 H 1 3.815 0.030 . 2 . . . A 52 SER HB2 . 25543 1 583 . 1 1 47 47 SER HB3 H 1 3.849 0.030 . 2 . . . A 52 SER HB3 . 25543 1 584 . 1 1 47 47 SER C C 13 171.799 0.300 . 1 . . . A 52 SER C . 25543 1 585 . 1 1 47 47 SER CA C 13 58.088 0.300 . 1 . . . A 52 SER CA . 25543 1 586 . 1 1 47 47 SER CB C 13 63.948 0.300 . 1 . . . A 52 SER CB . 25543 1 587 . 1 1 47 47 SER N N 15 119.837 0.300 . 1 . . . A 52 SER N . 25543 1 588 . 1 1 48 48 LYS H H 1 8.531 0.030 . 1 . . . A 53 LYS H . 25543 1 589 . 1 1 48 48 LYS HA H 1 4.271 0.030 . 1 . . . A 53 LYS HA . 25543 1 590 . 1 1 48 48 LYS HB2 H 1 1.714 0.030 . 2 . . . A 53 LYS HB2 . 25543 1 591 . 1 1 48 48 LYS HB3 H 1 1.803 0.030 . 2 . . . A 53 LYS HB3 . 25543 1 592 . 1 1 48 48 LYS HG2 H 1 1.405 0.030 . 2 . . . A 53 LYS HG2 . 25543 1 593 . 1 1 48 48 LYS HG3 H 1 1.367 0.030 . 2 . . . A 53 LYS HG3 . 25543 1 594 . 1 1 48 48 LYS HD2 H 1 1.632 0.030 . 2 . . . A 53 LYS HD2 . 25543 1 595 . 1 1 48 48 LYS HD3 H 1 1.632 0.030 . 2 . . . A 53 LYS HD3 . 25543 1 596 . 1 1 48 48 LYS HE2 H 1 2.938 0.030 . 2 . . . A 53 LYS HE2 . 25543 1 597 . 1 1 48 48 LYS HE3 H 1 2.938 0.030 . 2 . . . A 53 LYS HE3 . 25543 1 598 . 1 1 48 48 LYS C C 13 173.547 0.300 . 1 . . . A 53 LYS C . 25543 1 599 . 1 1 48 48 LYS CA C 13 56.500 0.300 . 1 . . . A 53 LYS CA . 25543 1 600 . 1 1 48 48 LYS CB C 13 32.967 0.300 . 1 . . . A 53 LYS CB . 25543 1 601 . 1 1 48 48 LYS CG C 13 24.691 0.300 . 1 . . . A 53 LYS CG . 25543 1 602 . 1 1 48 48 LYS CD C 13 28.978 0.300 . 1 . . . A 53 LYS CD . 25543 1 603 . 1 1 48 48 LYS CE C 13 42.001 0.300 . 1 . . . A 53 LYS CE . 25543 1 604 . 1 1 48 48 LYS N N 15 123.948 0.300 . 1 . . . A 53 LYS N . 25543 1 605 . 1 1 49 49 ASN H H 1 8.532 0.030 . 1 . . . A 54 ASN H . 25543 1 606 . 1 1 49 49 ASN HA H 1 4.699 0.030 . 1 . . . A 54 ASN HA . 25543 1 607 . 1 1 49 49 ASN HB2 H 1 2.835 0.030 . 2 . . . A 54 ASN HB2 . 25543 1 608 . 1 1 49 49 ASN HB3 H 1 2.709 0.030 . 2 . . . A 54 ASN HB3 . 25543 1 609 . 1 1 49 49 ASN HD21 H 1 6.983 0.030 . 2 . . . A 54 ASN HD21 . 25543 1 610 . 1 1 49 49 ASN HD22 H 1 7.691 0.030 . 2 . . . A 54 ASN HD22 . 25543 1 611 . 1 1 49 49 ASN C C 13 172.115 0.300 . 1 . . . A 54 ASN C . 25543 1 612 . 1 1 49 49 ASN CA C 13 53.212 0.300 . 1 . . . A 54 ASN CA . 25543 1 613 . 1 1 49 49 ASN CB C 13 38.801 0.300 . 1 . . . A 54 ASN CB . 25543 1 614 . 1 1 49 49 ASN N N 15 119.853 0.300 . 1 . . . A 54 ASN N . 25543 1 615 . 1 1 49 49 ASN ND2 N 15 113.517 0.300 . 1 . . . A 54 ASN ND2 . 25543 1 616 . 1 1 50 50 ASP H H 1 8.297 0.030 . 1 . . . A 55 ASP H . 25543 1 617 . 1 1 50 50 ASP HA H 1 4.574 0.030 . 1 . . . A 55 ASP HA . 25543 1 618 . 1 1 50 50 ASP HB2 H 1 2.753 0.030 . 2 . . . A 55 ASP HB2 . 25543 1 619 . 1 1 50 50 ASP HB3 H 1 2.648 0.030 . 2 . . . A 55 ASP HB3 . 25543 1 620 . 1 1 50 50 ASP C C 13 174.105 0.300 . 1 . . . A 55 ASP C . 25543 1 621 . 1 1 50 50 ASP CA C 13 54.159 0.300 . 1 . . . A 55 ASP CA . 25543 1 622 . 1 1 50 50 ASP CB C 13 41.040 0.300 . 1 . . . A 55 ASP CB . 25543 1 623 . 1 1 50 50 ASP N N 15 121.271 0.300 . 1 . . . A 55 ASP N . 25543 1 624 . 1 1 51 51 GLY H H 1 8.497 0.030 . 1 . . . A 56 GLY H . 25543 1 625 . 1 1 51 51 GLY HA2 H 1 3.932 0.030 . 2 . . . A 56 GLY HA2 . 25543 1 626 . 1 1 51 51 GLY HA3 H 1 3.998 0.030 . 2 . . . A 56 GLY HA3 . 25543 1 627 . 1 1 51 51 GLY C C 13 171.941 0.300 . 1 . . . A 56 GLY C . 25543 1 628 . 1 1 51 51 GLY CA C 13 45.511 0.300 . 1 . . . A 56 GLY CA . 25543 1 629 . 1 1 51 51 GLY N N 15 109.368 0.300 . 1 . . . A 56 GLY N . 25543 1 630 . 1 1 52 52 THR H H 1 8.156 0.030 . 1 . . . A 57 THR H . 25543 1 631 . 1 1 52 52 THR HA H 1 4.275 0.030 . 1 . . . A 57 THR HA . 25543 1 632 . 1 1 52 52 THR HB H 1 4.176 0.030 . 1 . . . A 57 THR HB . 25543 1 633 . 1 1 52 52 THR HG21 H 1 1.149 0.030 . 1 . . . A 57 THR MG . 25543 1 634 . 1 1 52 52 THR HG22 H 1 1.149 0.030 . 1 . . . A 57 THR MG . 25543 1 635 . 1 1 52 52 THR HG23 H 1 1.149 0.030 . 1 . . . A 57 THR MG . 25543 1 636 . 1 1 52 52 THR C C 13 171.744 0.300 . 1 . . . A 57 THR C . 25543 1 637 . 1 1 52 52 THR CA C 13 62.240 0.300 . 1 . . . A 57 THR CA . 25543 1 638 . 1 1 52 52 THR CB C 13 69.941 0.300 . 1 . . . A 57 THR CB . 25543 1 639 . 1 1 52 52 THR CG2 C 13 21.593 0.300 . 1 . . . A 57 THR CG2 . 25543 1 640 . 1 1 52 52 THR N N 15 113.628 0.300 . 1 . . . A 57 THR N . 25543 1 641 . 1 1 53 53 ARG H H 1 8.322 0.030 . 1 . . . A 58 ARG H . 25543 1 642 . 1 1 53 53 ARG HA H 1 4.620 0.030 . 1 . . . A 58 ARG HA . 25543 1 643 . 1 1 53 53 ARG HB2 H 1 1.715 0.030 . 2 . . . A 58 ARG HB2 . 25543 1 644 . 1 1 53 53 ARG HB3 H 1 1.821 0.030 . 2 . . . A 58 ARG HB3 . 25543 1 645 . 1 1 53 53 ARG HG2 H 1 1.644 0.030 . 2 . . . A 58 ARG HG2 . 25543 1 646 . 1 1 53 53 ARG HG3 H 1 1.681 0.030 . 2 . . . A 58 ARG HG3 . 25543 1 647 . 1 1 53 53 ARG HD2 H 1 3.173 0.030 . 2 . . . A 58 ARG HD2 . 25543 1 648 . 1 1 53 53 ARG HD3 H 1 3.173 0.030 . 2 . . . A 58 ARG HD3 . 25543 1 649 . 1 1 53 53 ARG C C 13 171.187 0.300 . 1 . . . A 58 ARG C . 25543 1 650 . 1 1 53 53 ARG CA C 13 53.969 0.300 . 1 . . . A 58 ARG CA . 25543 1 651 . 1 1 53 53 ARG CB C 13 30.146 0.300 . 1 . . . A 58 ARG CB . 25543 1 652 . 1 1 53 53 ARG CG C 13 26.660 0.300 . 1 . . . A 58 ARG CG . 25543 1 653 . 1 1 53 53 ARG CD C 13 43.418 0.300 . 1 . . . A 58 ARG CD . 25543 1 654 . 1 1 53 53 ARG N N 15 124.521 0.300 . 1 . . . A 58 ARG N . 25543 1 655 . 1 1 54 54 PRO HA H 1 4.382 0.030 . 1 . . . A 59 PRO HA . 25543 1 656 . 1 1 54 54 PRO HB2 H 1 1.844 0.030 . 2 . . . A 59 PRO HB2 . 25543 1 657 . 1 1 54 54 PRO HB3 H 1 2.268 0.030 . 2 . . . A 59 PRO HB3 . 25543 1 658 . 1 1 54 54 PRO HG2 H 1 1.968 0.030 . 2 . . . A 59 PRO HG2 . 25543 1 659 . 1 1 54 54 PRO HG3 H 1 1.984 0.030 . 2 . . . A 59 PRO HG3 . 25543 1 660 . 1 1 54 54 PRO HD2 H 1 3.794 0.030 . 2 . . . A 59 PRO HD2 . 25543 1 661 . 1 1 54 54 PRO HD3 H 1 3.578 0.030 . 2 . . . A 59 PRO HD3 . 25543 1 662 . 1 1 54 54 PRO CA C 13 62.903 0.300 . 1 . . . A 59 PRO CA . 25543 1 663 . 1 1 54 54 PRO CB C 13 32.193 0.300 . 1 . . . A 59 PRO CB . 25543 1 664 . 1 1 54 54 PRO CG C 13 27.443 0.300 . 1 . . . A 59 PRO CG . 25543 1 665 . 1 1 54 54 PRO CD C 13 50.630 0.300 . 1 . . . A 59 PRO CD . 25543 1 666 . 1 1 55 55 LYS H H 1 8.513 0.030 . 1 . . . A 60 LYS H . 25543 1 667 . 1 1 55 55 LYS HA H 1 4.203 0.030 . 1 . . . A 60 LYS HA . 25543 1 668 . 1 1 55 55 LYS HB2 H 1 1.724 0.030 . 2 . . . A 60 LYS HB2 . 25543 1 669 . 1 1 55 55 LYS HB3 H 1 1.789 0.030 . 2 . . . A 60 LYS HB3 . 25543 1 670 . 1 1 55 55 LYS HG2 H 1 1.457 0.030 . 2 . . . A 60 LYS HG2 . 25543 1 671 . 1 1 55 55 LYS HG3 H 1 1.409 0.030 . 2 . . . A 60 LYS HG3 . 25543 1 672 . 1 1 55 55 LYS HD2 H 1 1.640 0.030 . 2 . . . A 60 LYS HD2 . 25543 1 673 . 1 1 55 55 LYS HD3 H 1 1.640 0.030 . 2 . . . A 60 LYS HD3 . 25543 1 674 . 1 1 55 55 LYS HE2 H 1 2.960 0.030 . 2 . . . A 60 LYS HE2 . 25543 1 675 . 1 1 55 55 LYS HE3 H 1 2.960 0.030 . 2 . . . A 60 LYS HE3 . 25543 1 676 . 1 1 55 55 LYS CA C 13 56.328 0.300 . 1 . . . A 60 LYS CA . 25543 1 677 . 1 1 55 55 LYS CB C 13 32.805 0.300 . 1 . . . A 60 LYS CB . 25543 1 678 . 1 1 55 55 LYS CG C 13 24.807 0.300 . 1 . . . A 60 LYS CG . 25543 1 679 . 1 1 55 55 LYS CD C 13 29.026 0.300 . 1 . . . A 60 LYS CD . 25543 1 680 . 1 1 55 55 LYS CE C 13 42.091 0.300 . 1 . . . A 60 LYS CE . 25543 1 681 . 1 1 55 55 LYS N N 15 122.142 0.300 . 1 . . . A 60 LYS N . 25543 1 682 . 1 1 56 56 MET H H 1 8.446 0.030 . 1 . . . A 61 MET H . 25543 1 683 . 1 1 56 56 MET HA H 1 4.598 0.030 . 1 . . . A 61 MET HA . 25543 1 684 . 1 1 56 56 MET HB2 H 1 1.926 0.030 . 2 . . . A 61 MET HB2 . 25543 1 685 . 1 1 56 56 MET HB3 H 1 1.996 0.030 . 2 . . . A 61 MET HB3 . 25543 1 686 . 1 1 56 56 MET HG2 H 1 2.479 0.030 . 2 . . . A 61 MET HG2 . 25543 1 687 . 1 1 56 56 MET HG3 H 1 2.545 0.030 . 2 . . . A 61 MET HG3 . 25543 1 688 . 1 1 56 56 MET HE1 H 1 2.009 0.030 . 1 . . . A 61 MET ME . 25543 1 689 . 1 1 56 56 MET HE2 H 1 2.009 0.030 . 1 . . . A 61 MET ME . 25543 1 690 . 1 1 56 56 MET HE3 H 1 2.009 0.030 . 1 . . . A 61 MET ME . 25543 1 691 . 1 1 56 56 MET C C 13 173.077 0.300 . 1 . . . A 61 MET C . 25543 1 692 . 1 1 56 56 MET CA C 13 55.296 0.300 . 1 . . . A 61 MET CA . 25543 1 693 . 1 1 56 56 MET CB C 13 34.491 0.300 . 1 . . . A 61 MET CB . 25543 1 694 . 1 1 56 56 MET CG C 13 32.244 0.300 . 1 . . . A 61 MET CG . 25543 1 695 . 1 1 56 56 MET CE C 13 17.196 0.300 . 1 . . . A 61 MET CE . 25543 1 696 . 1 1 56 56 MET N N 15 122.695 0.300 . 1 . . . A 61 MET N . 25543 1 697 . 1 1 57 57 THR H H 1 8.437 0.030 . 1 . . . A 62 THR H . 25543 1 698 . 1 1 57 57 THR HA H 1 4.620 0.030 . 1 . . . A 62 THR HA . 25543 1 699 . 1 1 57 57 THR HB H 1 4.661 0.030 . 1 . . . A 62 THR HB . 25543 1 700 . 1 1 57 57 THR HG21 H 1 1.308 0.030 . 1 . . . A 62 THR MG . 25543 1 701 . 1 1 57 57 THR HG22 H 1 1.308 0.030 . 1 . . . A 62 THR MG . 25543 1 702 . 1 1 57 57 THR HG23 H 1 1.308 0.030 . 1 . . . A 62 THR MG . 25543 1 703 . 1 1 57 57 THR C C 13 170.881 0.300 . 1 . . . A 62 THR C . 25543 1 704 . 1 1 57 57 THR CA C 13 59.858 0.300 . 1 . . . A 62 THR CA . 25543 1 705 . 1 1 57 57 THR CB C 13 68.752 0.300 . 1 . . . A 62 THR CB . 25543 1 706 . 1 1 57 57 THR CG2 C 13 21.909 0.300 . 1 . . . A 62 THR CG2 . 25543 1 707 . 1 1 57 57 THR N N 15 115.170 0.300 . 1 . . . A 62 THR N . 25543 1 708 . 1 1 58 58 PRO HA H 1 4.274 0.030 . 1 . . . A 63 PRO HA . 25543 1 709 . 1 1 58 58 PRO HB2 H 1 2.355 0.030 . 2 . . . A 63 PRO HB2 . 25543 1 710 . 1 1 58 58 PRO HB3 H 1 1.886 0.030 . 2 . . . A 63 PRO HB3 . 25543 1 711 . 1 1 58 58 PRO HG2 H 1 1.998 0.030 . 2 . . . A 63 PRO HG2 . 25543 1 712 . 1 1 58 58 PRO HG3 H 1 2.186 0.030 . 2 . . . A 63 PRO HG3 . 25543 1 713 . 1 1 58 58 PRO HD2 H 1 3.876 0.030 . 2 . . . A 63 PRO HD2 . 25543 1 714 . 1 1 58 58 PRO HD3 H 1 3.898 0.030 . 2 . . . A 63 PRO HD3 . 25543 1 715 . 1 1 58 58 PRO CA C 13 65.374 0.300 . 1 . . . A 63 PRO CA . 25543 1 716 . 1 1 58 58 PRO CB C 13 31.763 0.300 . 1 . . . A 63 PRO CB . 25543 1 717 . 1 1 58 58 PRO CG C 13 28.059 0.300 . 1 . . . A 63 PRO CG . 25543 1 718 . 1 1 58 58 PRO CD C 13 50.476 0.300 . 1 . . . A 63 PRO CD . 25543 1 719 . 1 1 59 59 GLU H H 1 8.813 0.030 . 1 . . . A 64 GLU H . 25543 1 720 . 1 1 59 59 GLU HA H 1 4.063 0.030 . 1 . . . A 64 GLU HA . 25543 1 721 . 1 1 59 59 GLU HB2 H 1 2.035 0.030 . 2 . . . A 64 GLU HB2 . 25543 1 722 . 1 1 59 59 GLU HB3 H 1 1.914 0.030 . 2 . . . A 64 GLU HB3 . 25543 1 723 . 1 1 59 59 GLU HG2 H 1 2.256 0.030 . 2 . . . A 64 GLU HG2 . 25543 1 724 . 1 1 59 59 GLU HG3 H 1 2.361 0.030 . 2 . . . A 64 GLU HG3 . 25543 1 725 . 1 1 59 59 GLU CA C 13 59.613 0.300 . 1 . . . A 64 GLU CA . 25543 1 726 . 1 1 59 59 GLU CB C 13 29.017 0.300 . 1 . . . A 64 GLU CB . 25543 1 727 . 1 1 59 59 GLU CG C 13 36.756 0.300 . 1 . . . A 64 GLU CG . 25543 1 728 . 1 1 59 59 GLU N N 15 118.596 0.300 . 1 . . . A 64 GLU N . 25543 1 729 . 1 1 60 60 GLN H H 1 7.964 0.030 . 1 . . . A 65 GLN H . 25543 1 730 . 1 1 60 60 GLN HA H 1 4.046 0.030 . 1 . . . A 65 GLN HA . 25543 1 731 . 1 1 60 60 GLN HB2 H 1 2.032 0.030 . 2 . . . A 65 GLN HB2 . 25543 1 732 . 1 1 60 60 GLN HB3 H 1 2.252 0.030 . 2 . . . A 65 GLN HB3 . 25543 1 733 . 1 1 60 60 GLN HG2 H 1 2.425 0.030 . 2 . . . A 65 GLN HG2 . 25543 1 734 . 1 1 60 60 GLN HG3 H 1 2.415 0.030 . 2 . . . A 65 GLN HG3 . 25543 1 735 . 1 1 60 60 GLN HE21 H 1 6.877 0.030 . 2 . . . A 65 GLN HE21 . 25543 1 736 . 1 1 60 60 GLN HE22 H 1 7.758 0.030 . 2 . . . A 65 GLN HE22 . 25543 1 737 . 1 1 60 60 GLN CA C 13 58.116 0.300 . 1 . . . A 65 GLN CA . 25543 1 738 . 1 1 60 60 GLN CB C 13 28.711 0.300 . 1 . . . A 65 GLN CB . 25543 1 739 . 1 1 60 60 GLN CG C 13 33.852 0.300 . 1 . . . A 65 GLN CG . 25543 1 740 . 1 1 60 60 GLN N N 15 121.250 0.300 . 1 . . . A 65 GLN N . 25543 1 741 . 1 1 60 60 GLN NE2 N 15 112.154 0.300 . 1 . . . A 65 GLN NE2 . 25543 1 742 . 1 1 61 61 MET H H 1 8.429 0.030 . 1 . . . A 66 MET H . 25543 1 743 . 1 1 61 61 MET HA H 1 4.156 0.030 . 1 . . . A 66 MET HA . 25543 1 744 . 1 1 61 61 MET HB2 H 1 2.052 0.030 . 2 . . . A 66 MET HB2 . 25543 1 745 . 1 1 61 61 MET HB3 H 1 2.082 0.030 . 2 . . . A 66 MET HB3 . 25543 1 746 . 1 1 61 61 MET HG2 H 1 2.537 0.030 . 2 . . . A 66 MET HG2 . 25543 1 747 . 1 1 61 61 MET HG3 H 1 2.537 0.030 . 2 . . . A 66 MET HG3 . 25543 1 748 . 1 1 61 61 MET HE1 H 1 2.020 0.030 . 1 . . . A 66 MET ME . 25543 1 749 . 1 1 61 61 MET HE2 H 1 2.020 0.030 . 1 . . . A 66 MET ME . 25543 1 750 . 1 1 61 61 MET HE3 H 1 2.020 0.030 . 1 . . . A 66 MET ME . 25543 1 751 . 1 1 61 61 MET CA C 13 58.241 0.300 . 1 . . . A 66 MET CA . 25543 1 752 . 1 1 61 61 MET CB C 13 32.558 0.300 . 1 . . . A 66 MET CB . 25543 1 753 . 1 1 61 61 MET CG C 13 32.208 0.300 . 1 . . . A 66 MET CG . 25543 1 754 . 1 1 61 61 MET CE C 13 16.810 0.300 . 1 . . . A 66 MET CE . 25543 1 755 . 1 1 61 61 MET N N 15 120.082 0.300 . 1 . . . A 66 MET N . 25543 1 756 . 1 1 62 62 ALA H H 1 8.106 0.030 . 1 . . . A 67 ALA H . 25543 1 757 . 1 1 62 62 ALA HA H 1 4.157 0.030 . 1 . . . A 67 ALA HA . 25543 1 758 . 1 1 62 62 ALA HB1 H 1 1.429 0.030 . 1 . . . A 67 ALA MB . 25543 1 759 . 1 1 62 62 ALA HB2 H 1 1.429 0.030 . 1 . . . A 67 ALA MB . 25543 1 760 . 1 1 62 62 ALA HB3 H 1 1.429 0.030 . 1 . . . A 67 ALA MB . 25543 1 761 . 1 1 62 62 ALA CA C 13 54.271 0.300 . 1 . . . A 67 ALA CA . 25543 1 762 . 1 1 62 62 ALA CB C 13 18.279 0.300 . 1 . . . A 67 ALA CB . 25543 1 763 . 1 1 62 62 ALA N N 15 122.222 0.300 . 1 . . . A 67 ALA N . 25543 1 764 . 1 1 63 63 LYS H H 1 7.815 0.030 . 1 . . . A 68 LYS H . 25543 1 765 . 1 1 63 63 LYS HA H 1 4.127 0.030 . 1 . . . A 68 LYS HA . 25543 1 766 . 1 1 63 63 LYS HB2 H 1 1.858 0.030 . 2 . . . A 68 LYS HB2 . 25543 1 767 . 1 1 63 63 LYS HB3 H 1 1.905 0.030 . 2 . . . A 68 LYS HB3 . 25543 1 768 . 1 1 63 63 LYS HG2 H 1 1.385 0.030 . 2 . . . A 68 LYS HG2 . 25543 1 769 . 1 1 63 63 LYS HG3 H 1 1.486 0.030 . 2 . . . A 68 LYS HG3 . 25543 1 770 . 1 1 63 63 LYS HD2 H 1 1.652 0.030 . 2 . . . A 68 LYS HD2 . 25543 1 771 . 1 1 63 63 LYS HD3 H 1 1.667 0.030 . 2 . . . A 68 LYS HD3 . 25543 1 772 . 1 1 63 63 LYS HE2 H 1 2.953 0.030 . 2 . . . A 68 LYS HE2 . 25543 1 773 . 1 1 63 63 LYS HE3 H 1 2.953 0.030 . 2 . . . A 68 LYS HE3 . 25543 1 774 . 1 1 63 63 LYS CA C 13 58.373 0.300 . 1 . . . A 68 LYS CA . 25543 1 775 . 1 1 63 63 LYS CB C 13 32.604 0.300 . 1 . . . A 68 LYS CB . 25543 1 776 . 1 1 63 63 LYS CG C 13 24.810 0.300 . 1 . . . A 68 LYS CG . 25543 1 777 . 1 1 63 63 LYS CD C 13 29.106 0.300 . 1 . . . A 68 LYS CD . 25543 1 778 . 1 1 63 63 LYS CE C 13 42.052 0.300 . 1 . . . A 68 LYS CE . 25543 1 779 . 1 1 63 63 LYS N N 15 120.031 0.300 . 1 . . . A 68 LYS N . 25543 1 780 . 1 1 64 64 GLU H H 1 8.149 0.030 . 1 . . . A 69 GLU H . 25543 1 781 . 1 1 64 64 GLU HA H 1 4.123 0.030 . 1 . . . A 69 GLU HA . 25543 1 782 . 1 1 64 64 GLU HB2 H 1 2.118 0.030 . 2 . . . A 69 GLU HB2 . 25543 1 783 . 1 1 64 64 GLU HB3 H 1 2.032 0.030 . 2 . . . A 69 GLU HB3 . 25543 1 784 . 1 1 64 64 GLU HG2 H 1 2.331 0.030 . 2 . . . A 69 GLU HG2 . 25543 1 785 . 1 1 64 64 GLU HG3 H 1 2.220 0.030 . 2 . . . A 69 GLU HG3 . 25543 1 786 . 1 1 64 64 GLU CA C 13 58.549 0.300 . 1 . . . A 69 GLU CA . 25543 1 787 . 1 1 64 64 GLU CB C 13 29.410 0.300 . 1 . . . A 69 GLU CB . 25543 1 788 . 1 1 64 64 GLU CG C 13 36.430 0.300 . 1 . . . A 69 GLU CG . 25543 1 789 . 1 1 64 64 GLU N N 15 119.896 0.300 . 1 . . . A 69 GLU N . 25543 1 790 . 1 1 65 65 MET H H 1 8.215 0.030 . 1 . . . A 70 MET H . 25543 1 791 . 1 1 65 65 MET HA H 1 4.434 0.030 . 1 . . . A 70 MET HA . 25543 1 792 . 1 1 65 65 MET HB2 H 1 2.106 0.030 . 2 . . . A 70 MET HB2 . 25543 1 793 . 1 1 65 65 MET HB3 H 1 2.146 0.030 . 2 . . . A 70 MET HB3 . 25543 1 794 . 1 1 65 65 MET HG2 H 1 2.589 0.030 . 2 . . . A 70 MET HG2 . 25543 1 795 . 1 1 65 65 MET HG3 H 1 2.637 0.030 . 2 . . . A 70 MET HG3 . 25543 1 796 . 1 1 65 65 MET HE1 H 1 2.037 0.030 . 1 . . . A 70 MET ME . 25543 1 797 . 1 1 65 65 MET HE2 H 1 2.037 0.030 . 1 . . . A 70 MET ME . 25543 1 798 . 1 1 65 65 MET HE3 H 1 2.037 0.030 . 1 . . . A 70 MET ME . 25543 1 799 . 1 1 65 65 MET C C 13 174.607 0.300 . 1 . . . A 70 MET C . 25543 1 800 . 1 1 65 65 MET CA C 13 56.884 0.300 . 1 . . . A 70 MET CA . 25543 1 801 . 1 1 65 65 MET CB C 13 32.159 0.300 . 1 . . . A 70 MET CB . 25543 1 802 . 1 1 65 65 MET CG C 13 32.037 0.300 . 1 . . . A 70 MET CG . 25543 1 803 . 1 1 65 65 MET CE C 13 16.762 0.300 . 1 . . . A 70 MET CE . 25543 1 804 . 1 1 65 65 MET N N 15 119.261 0.300 . 1 . . . A 70 MET N . 25543 1 805 . 1 1 66 66 SER H H 1 8.161 0.030 . 1 . . . A 71 SER H . 25543 1 806 . 1 1 66 66 SER HA H 1 4.265 0.030 . 1 . . . A 71 SER HA . 25543 1 807 . 1 1 66 66 SER HB2 H 1 3.934 0.030 . 2 . . . A 71 SER HB2 . 25543 1 808 . 1 1 66 66 SER HB3 H 1 3.951 0.030 . 2 . . . A 71 SER HB3 . 25543 1 809 . 1 1 66 66 SER CA C 13 60.463 0.300 . 1 . . . A 71 SER CA . 25543 1 810 . 1 1 66 66 SER CB C 13 63.135 0.300 . 1 . . . A 71 SER CB . 25543 1 811 . 1 1 66 66 SER N N 15 115.618 0.300 . 1 . . . A 71 SER N . 25543 1 812 . 1 1 67 67 GLU H H 1 8.247 0.030 . 1 . . . A 72 GLU H . 25543 1 813 . 1 1 67 67 GLU HA H 1 4.113 0.030 . 1 . . . A 72 GLU HA . 25543 1 814 . 1 1 67 67 GLU HB2 H 1 1.968 0.030 . 2 . . . A 72 GLU HB2 . 25543 1 815 . 1 1 67 67 GLU HB3 H 1 2.088 0.030 . 2 . . . A 72 GLU HB3 . 25543 1 816 . 1 1 67 67 GLU HG2 H 1 2.112 0.030 . 2 . . . A 72 GLU HG2 . 25543 1 817 . 1 1 67 67 GLU HG3 H 1 2.272 0.030 . 2 . . . A 72 GLU HG3 . 25543 1 818 . 1 1 67 67 GLU CA C 13 58.116 0.300 . 1 . . . A 72 GLU CA . 25543 1 819 . 1 1 67 67 GLU CB C 13 29.427 0.300 . 1 . . . A 72 GLU CB . 25543 1 820 . 1 1 67 67 GLU CG C 13 36.257 0.300 . 1 . . . A 72 GLU CG . 25543 1 821 . 1 1 67 67 GLU N N 15 122.328 0.300 . 1 . . . A 72 GLU N . 25543 1 822 . 1 1 68 68 PHE H H 1 8.126 0.030 . 1 . . . A 73 PHE H . 25543 1 823 . 1 1 68 68 PHE HA H 1 4.400 0.030 . 1 . . . A 73 PHE HA . 25543 1 824 . 1 1 68 68 PHE HB2 H 1 3.215 0.030 . 2 . . . A 73 PHE HB2 . 25543 1 825 . 1 1 68 68 PHE HB3 H 1 3.165 0.030 . 2 . . . A 73 PHE HB3 . 25543 1 826 . 1 1 68 68 PHE HD1 H 1 7.222 0.030 . 3 . . . A 73 PHE HD1 . 25543 1 827 . 1 1 68 68 PHE HD2 H 1 7.222 0.030 . 3 . . . A 73 PHE HD2 . 25543 1 828 . 1 1 68 68 PHE HE1 H 1 7.313 0.030 . 3 . . . A 73 PHE HE1 . 25543 1 829 . 1 1 68 68 PHE HE2 H 1 7.313 0.030 . 3 . . . A 73 PHE HE2 . 25543 1 830 . 1 1 68 68 PHE HZ H 1 7.261 0.030 . 1 . . . A 73 PHE HZ . 25543 1 831 . 1 1 68 68 PHE CA C 13 59.497 0.300 . 1 . . . A 73 PHE CA . 25543 1 832 . 1 1 68 68 PHE CB C 13 39.182 0.300 . 1 . . . A 73 PHE CB . 25543 1 833 . 1 1 68 68 PHE CD1 C 13 131.488 0.300 . 3 . . . A 73 PHE CD1 . 25543 1 834 . 1 1 68 68 PHE CD2 C 13 131.488 0.300 . 3 . . . A 73 PHE CD2 . 25543 1 835 . 1 1 68 68 PHE CE1 C 13 131.568 0.300 . 3 . . . A 73 PHE CE1 . 25543 1 836 . 1 1 68 68 PHE CE2 C 13 131.568 0.300 . 3 . . . A 73 PHE CE2 . 25543 1 837 . 1 1 68 68 PHE CZ C 13 129.964 0.300 . 1 . . . A 73 PHE CZ . 25543 1 838 . 1 1 68 68 PHE N N 15 120.564 0.300 . 1 . . . A 73 PHE N . 25543 1 839 . 1 1 69 69 LEU H H 1 8.127 0.030 . 1 . . . A 74 LEU H . 25543 1 840 . 1 1 69 69 LEU HA H 1 4.152 0.030 . 1 . . . A 74 LEU HA . 25543 1 841 . 1 1 69 69 LEU HB2 H 1 1.537 0.030 . 2 . . . A 74 LEU HB2 . 25543 1 842 . 1 1 69 69 LEU HB3 H 1 1.733 0.030 . 2 . . . A 74 LEU HB3 . 25543 1 843 . 1 1 69 69 LEU HG H 1 1.725 0.030 . 1 . . . A 74 LEU HG . 25543 1 844 . 1 1 69 69 LEU HD11 H 1 0.895 0.030 . 2 . . . A 74 LEU MD1 . 25543 1 845 . 1 1 69 69 LEU HD12 H 1 0.895 0.030 . 2 . . . A 74 LEU MD1 . 25543 1 846 . 1 1 69 69 LEU HD13 H 1 0.895 0.030 . 2 . . . A 74 LEU MD1 . 25543 1 847 . 1 1 69 69 LEU HD21 H 1 0.881 0.030 . 2 . . . A 74 LEU MD2 . 25543 1 848 . 1 1 69 69 LEU HD22 H 1 0.881 0.030 . 2 . . . A 74 LEU MD2 . 25543 1 849 . 1 1 69 69 LEU HD23 H 1 0.881 0.030 . 2 . . . A 74 LEU MD2 . 25543 1 850 . 1 1 69 69 LEU CA C 13 55.890 0.300 . 1 . . . A 74 LEU CA . 25543 1 851 . 1 1 69 69 LEU CB C 13 42.106 0.300 . 1 . . . A 74 LEU CB . 25543 1 852 . 1 1 69 69 LEU CG C 13 26.854 0.300 . 1 . . . A 74 LEU CG . 25543 1 853 . 1 1 69 69 LEU CD1 C 13 25.063 0.300 . 2 . . . A 74 LEU CD1 . 25543 1 854 . 1 1 69 69 LEU CD2 C 13 23.040 0.300 . 2 . . . A 74 LEU CD2 . 25543 1 855 . 1 1 69 69 LEU N N 15 120.761 0.300 . 1 . . . A 74 LEU N . 25543 1 856 . 1 1 70 70 SER H H 1 8.003 0.030 . 1 . . . A 75 SER H . 25543 1 857 . 1 1 70 70 SER HA H 1 4.357 0.030 . 1 . . . A 75 SER HA . 25543 1 858 . 1 1 70 70 SER HB2 H 1 3.891 0.030 . 2 . . . A 75 SER HB2 . 25543 1 859 . 1 1 70 70 SER HB3 H 1 3.891 0.030 . 2 . . . A 75 SER HB3 . 25543 1 860 . 1 1 70 70 SER CA C 13 58.921 0.300 . 1 . . . A 75 SER CA . 25543 1 861 . 1 1 70 70 SER CB C 13 63.534 0.300 . 1 . . . A 75 SER CB . 25543 1 862 . 1 1 70 70 SER N N 15 115.178 0.300 . 1 . . . A 75 SER N . 25543 1 863 . 1 1 71 71 ARG H H 1 7.985 0.030 . 1 . . . A 76 ARG H . 25543 1 864 . 1 1 71 71 ARG HA H 1 4.314 0.030 . 1 . . . A 76 ARG HA . 25543 1 865 . 1 1 71 71 ARG HB2 H 1 1.756 0.030 . 2 . . . A 76 ARG HB2 . 25543 1 866 . 1 1 71 71 ARG HB3 H 1 1.871 0.030 . 2 . . . A 76 ARG HB3 . 25543 1 867 . 1 1 71 71 ARG HG2 H 1 1.632 0.030 . 2 . . . A 76 ARG HG2 . 25543 1 868 . 1 1 71 71 ARG HG3 H 1 1.656 0.030 . 2 . . . A 76 ARG HG3 . 25543 1 869 . 1 1 71 71 ARG HD2 H 1 3.168 0.030 . 2 . . . A 76 ARG HD2 . 25543 1 870 . 1 1 71 71 ARG HD3 H 1 3.135 0.030 . 2 . . . A 76 ARG HD3 . 25543 1 871 . 1 1 71 71 ARG CA C 13 56.406 0.300 . 1 . . . A 76 ARG CA . 25543 1 872 . 1 1 71 71 ARG CB C 13 30.832 0.300 . 1 . . . A 76 ARG CB . 25543 1 873 . 1 1 71 71 ARG CG C 13 26.860 0.300 . 1 . . . A 76 ARG CG . 25543 1 874 . 1 1 71 71 ARG CD C 13 43.394 0.300 . 1 . . . A 76 ARG CD . 25543 1 875 . 1 1 71 71 ARG N N 15 122.367 0.300 . 1 . . . A 76 ARG N . 25543 1 876 . 1 1 72 72 GLY H H 1 8.151 0.030 . 1 . . . A 77 GLY H . 25543 1 877 . 1 1 72 72 GLY HA2 H 1 4.068 0.030 . 2 . . . A 77 GLY HA2 . 25543 1 878 . 1 1 72 72 GLY HA3 H 1 4.004 0.030 . 2 . . . A 77 GLY HA3 . 25543 1 879 . 1 1 72 72 GLY CA C 13 44.400 0.300 . 1 . . . A 77 GLY CA . 25543 1 880 . 1 1 72 72 GLY N N 15 109.723 0.300 . 1 . . . A 77 GLY N . 25543 1 881 . 1 1 73 73 PRO HA H 1 4.365 0.030 . 1 . . . A 78 PRO HA . 25543 1 882 . 1 1 73 73 PRO HB2 H 1 1.957 0.030 . 2 . . . A 78 PRO HB2 . 25543 1 883 . 1 1 73 73 PRO HB3 H 1 2.222 0.030 . 2 . . . A 78 PRO HB3 . 25543 1 884 . 1 1 73 73 PRO HG2 H 1 1.979 0.030 . 2 . . . A 78 PRO HG2 . 25543 1 885 . 1 1 73 73 PRO HG3 H 1 1.979 0.030 . 2 . . . A 78 PRO HG3 . 25543 1 886 . 1 1 73 73 PRO HD2 H 1 3.567 0.030 . 2 . . . A 78 PRO HD2 . 25543 1 887 . 1 1 73 73 PRO HD3 H 1 3.567 0.030 . 2 . . . A 78 PRO HD3 . 25543 1 888 . 1 1 73 73 PRO C C 13 173.976 0.300 . 1 . . . A 78 PRO C . 25543 1 889 . 1 1 73 73 PRO CA C 13 63.226 0.300 . 1 . . . A 78 PRO CA . 25543 1 890 . 1 1 73 73 PRO CB C 13 32.028 0.300 . 1 . . . A 78 PRO CB . 25543 1 891 . 1 1 73 73 PRO CG C 13 27.062 0.300 . 1 . . . A 78 PRO CG . 25543 1 892 . 1 1 73 73 PRO CD C 13 49.669 0.300 . 1 . . . A 78 PRO CD . 25543 1 893 . 1 1 74 74 ALA H H 1 8.104 0.030 . 1 . . . A 79 ALA H . 25543 1 894 . 1 1 74 74 ALA HA H 1 4.071 0.030 . 1 . . . A 79 ALA HA . 25543 1 895 . 1 1 74 74 ALA HB1 H 1 1.302 0.030 . 1 . . . A 79 ALA MB . 25543 1 896 . 1 1 74 74 ALA HB2 H 1 1.302 0.030 . 1 . . . A 79 ALA MB . 25543 1 897 . 1 1 74 74 ALA HB3 H 1 1.302 0.030 . 1 . . . A 79 ALA MB . 25543 1 898 . 1 1 74 74 ALA C C 13 175.117 0.300 . 1 . . . A 79 ALA C . 25543 1 899 . 1 1 74 74 ALA CA C 13 53.850 0.300 . 1 . . . A 79 ALA CA . 25543 1 900 . 1 1 74 74 ALA CB C 13 19.947 0.300 . 1 . . . A 79 ALA CB . 25543 1 901 . 1 1 74 74 ALA N N 15 130.361 0.300 . 1 . . . A 79 ALA N . 25543 1 stop_ save_