data_25544 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25544 _Entry.Title ; Solution structure of human Myosin VI isoform3 (1050-1131) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-20 _Entry.Accession_date 2015-03-20 _Entry.Last_release_date 2016-02-29 _Entry.Original_release_date 2016-02-29 _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 . . . . 25544 2 Kylie Walters . . . . 25544 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' . 25544 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID MyUb . 25544 'Myosin VI' . 25544 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25544 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 366 25544 '15N chemical shifts' 89 25544 '1H chemical shifts' 607 25544 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' 25544 1 . . 2016-03-07 2015-03-20 original author 'original release' 25544 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' 25544 BMRB 25542 'MyUb (1080-1131) of human Myosin VI' 25544 BMRB 25543 'human Myosin VI isoform3 (998-1071)' 25544 BMRB 25545 'MyUb (1080-1122) of human Myosin VI with K63-diUb' 25544 PDB 2N12 'BMRB Entry Tracking System' 25544 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25544 _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 . . . . 25544 1 2 Hans-Peter Wollscheid . . . . 25544 1 3 Urszula Nowicka . . . . 25544 1 4 Matteo Biancospino . . . . 25544 1 5 Eleonora Valentini . . . . 25544 1 6 Aaron Ehlinger . . . . 25544 1 7 Filippo Acconcia . . . . 25544 1 8 Elisa Magistrati . . . . 25544 1 9 Simona Polo . . . . 25544 1 10 Kylie Walters . J. . . 25544 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25544 _Assembly.ID 1 _Assembly.Name 'human Myosin VI isoform3 (1050-1131)' _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 . . . 25544 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25544 _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 ; RPKMTPEQMAKEMSEFLSRG PAVLATKAAAGTKKYDLSKW KYAELRDTINTSCDIELLAA CREEFHRRLKVYHAWKSKNK KR ; _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 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9580.269 _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 58 ARG . 25544 1 2 59 PRO . 25544 1 3 60 LYS . 25544 1 4 61 MET . 25544 1 5 62 THR . 25544 1 6 63 PRO . 25544 1 7 64 GLU . 25544 1 8 65 GLN . 25544 1 9 66 MET . 25544 1 10 67 ALA . 25544 1 11 68 LYS . 25544 1 12 69 GLU . 25544 1 13 70 MET . 25544 1 14 71 SER . 25544 1 15 72 GLU . 25544 1 16 73 PHE . 25544 1 17 74 LEU . 25544 1 18 75 SER . 25544 1 19 76 ARG . 25544 1 20 77 GLY . 25544 1 21 78 PRO . 25544 1 22 79 ALA . 25544 1 23 80 VAL . 25544 1 24 81 LEU . 25544 1 25 82 ALA . 25544 1 26 83 THR . 25544 1 27 84 LYS . 25544 1 28 85 ALA . 25544 1 29 86 ALA . 25544 1 30 87 ALA . 25544 1 31 88 GLY . 25544 1 32 89 THR . 25544 1 33 90 LYS . 25544 1 34 91 LYS . 25544 1 35 92 TYR . 25544 1 36 93 ASP . 25544 1 37 94 LEU . 25544 1 38 95 SER . 25544 1 39 96 LYS . 25544 1 40 97 TRP . 25544 1 41 98 LYS . 25544 1 42 99 TYR . 25544 1 43 100 ALA . 25544 1 44 101 GLU . 25544 1 45 102 LEU . 25544 1 46 103 ARG . 25544 1 47 104 ASP . 25544 1 48 105 THR . 25544 1 49 106 ILE . 25544 1 50 107 ASN . 25544 1 51 108 THR . 25544 1 52 109 SER . 25544 1 53 110 CYS . 25544 1 54 111 ASP . 25544 1 55 112 ILE . 25544 1 56 113 GLU . 25544 1 57 114 LEU . 25544 1 58 115 LEU . 25544 1 59 116 ALA . 25544 1 60 117 ALA . 25544 1 61 118 CYS . 25544 1 62 119 ARG . 25544 1 63 120 GLU . 25544 1 64 121 GLU . 25544 1 65 122 PHE . 25544 1 66 123 HIS . 25544 1 67 124 ARG . 25544 1 68 125 ARG . 25544 1 69 126 LEU . 25544 1 70 127 LYS . 25544 1 71 128 VAL . 25544 1 72 129 TYR . 25544 1 73 130 HIS . 25544 1 74 131 ALA . 25544 1 75 132 TRP . 25544 1 76 133 LYS . 25544 1 77 134 SER . 25544 1 78 135 LYS . 25544 1 79 136 ASN . 25544 1 80 137 LYS . 25544 1 81 138 LYS . 25544 1 82 139 ARG . 25544 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 . ARG 1 1 25544 1 . PRO 2 2 25544 1 . LYS 3 3 25544 1 . MET 4 4 25544 1 . THR 5 5 25544 1 . PRO 6 6 25544 1 . GLU 7 7 25544 1 . GLN 8 8 25544 1 . MET 9 9 25544 1 . ALA 10 10 25544 1 . LYS 11 11 25544 1 . GLU 12 12 25544 1 . MET 13 13 25544 1 . SER 14 14 25544 1 . GLU 15 15 25544 1 . PHE 16 16 25544 1 . LEU 17 17 25544 1 . SER 18 18 25544 1 . ARG 19 19 25544 1 . GLY 20 20 25544 1 . PRO 21 21 25544 1 . ALA 22 22 25544 1 . VAL 23 23 25544 1 . LEU 24 24 25544 1 . ALA 25 25 25544 1 . THR 26 26 25544 1 . LYS 27 27 25544 1 . ALA 28 28 25544 1 . ALA 29 29 25544 1 . ALA 30 30 25544 1 . GLY 31 31 25544 1 . THR 32 32 25544 1 . LYS 33 33 25544 1 . LYS 34 34 25544 1 . TYR 35 35 25544 1 . ASP 36 36 25544 1 . LEU 37 37 25544 1 . SER 38 38 25544 1 . LYS 39 39 25544 1 . TRP 40 40 25544 1 . LYS 41 41 25544 1 . TYR 42 42 25544 1 . ALA 43 43 25544 1 . GLU 44 44 25544 1 . LEU 45 45 25544 1 . ARG 46 46 25544 1 . ASP 47 47 25544 1 . THR 48 48 25544 1 . ILE 49 49 25544 1 . ASN 50 50 25544 1 . THR 51 51 25544 1 . SER 52 52 25544 1 . CYS 53 53 25544 1 . ASP 54 54 25544 1 . ILE 55 55 25544 1 . GLU 56 56 25544 1 . LEU 57 57 25544 1 . LEU 58 58 25544 1 . ALA 59 59 25544 1 . ALA 60 60 25544 1 . CYS 61 61 25544 1 . ARG 62 62 25544 1 . GLU 63 63 25544 1 . GLU 64 64 25544 1 . PHE 65 65 25544 1 . HIS 66 66 25544 1 . ARG 67 67 25544 1 . ARG 68 68 25544 1 . LEU 69 69 25544 1 . LYS 70 70 25544 1 . VAL 71 71 25544 1 . TYR 72 72 25544 1 . HIS 73 73 25544 1 . ALA 74 74 25544 1 . TRP 75 75 25544 1 . LYS 76 76 25544 1 . SER 77 77 25544 1 . LYS 78 78 25544 1 . ASN 79 79 25544 1 . LYS 80 80 25544 1 . LYS 81 81 25544 1 . ARG 82 82 25544 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 25544 _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 . . . . . . . . . . . . . 25544 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 25544 _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 . . . 25544 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25544 _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 . . . . 25544 1 2 'sodium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 25544 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 25544 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 25544 1 5 NaN3 'natural abundance' . . . . . . 0.1 . . % . . . . 25544 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25544 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25544 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 25544 _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 25544 1 pH 6.5 . pH 25544 1 pressure 1 . atm 25544 1 temperature 283 . K 25544 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25544 _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' . . 25544 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25544 1 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 25544 _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' . . 25544 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25544 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25544 _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' . . 25544 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25544 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25544 _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' . . 25544 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25544 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 25544 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25544 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 25544 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 25544 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25544 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25544 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 25544 _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 . . . . . 25544 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25544 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25544 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 25544 _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' . . . 25544 1 2 '3D 1H-13C NOESY' . . . 25544 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 ARG H H 1 8.470 0.030 . 1 . . . A 58 ARG H . 25544 1 2 . 1 1 1 1 ARG HA H 1 4.624 0.030 . 1 . . . A 58 ARG HA . 25544 1 3 . 1 1 1 1 ARG HB2 H 1 1.722 0.030 . 2 . . . A 58 ARG HB2 . 25544 1 4 . 1 1 1 1 ARG HB3 H 1 1.829 0.030 . 2 . . . A 58 ARG HB3 . 25544 1 5 . 1 1 1 1 ARG HG2 H 1 1.647 0.030 . 2 . . . A 58 ARG HG2 . 25544 1 6 . 1 1 1 1 ARG HG3 H 1 1.684 0.030 . 2 . . . A 58 ARG HG3 . 25544 1 7 . 1 1 1 1 ARG HD2 H 1 3.163 0.030 . 2 . . . A 58 ARG HD2 . 25544 1 8 . 1 1 1 1 ARG HD3 H 1 3.163 0.030 . 2 . . . A 58 ARG HD3 . 25544 1 9 . 1 1 1 1 ARG C C 13 171.187 0.300 . 1 . . . A 58 ARG C . 25544 1 10 . 1 1 1 1 ARG CA C 13 53.988 0.300 . 1 . . . A 58 ARG CA . 25544 1 11 . 1 1 1 1 ARG CB C 13 30.172 0.300 . 1 . . . A 58 ARG CB . 25544 1 12 . 1 1 1 1 ARG CG C 13 26.730 0.300 . 1 . . . A 58 ARG CG . 25544 1 13 . 1 1 1 1 ARG CD C 13 43.366 0.300 . 1 . . . A 58 ARG CD . 25544 1 14 . 1 1 1 1 ARG N N 15 124.196 0.300 . 1 . . . A 58 ARG N . 25544 1 15 . 1 1 2 2 PRO HA H 1 4.400 0.030 . 1 . . . A 59 PRO HA . 25544 1 16 . 1 1 2 2 PRO HB2 H 1 1.860 0.030 . 2 . . . A 59 PRO HB2 . 25544 1 17 . 1 1 2 2 PRO HB3 H 1 2.276 0.030 . 2 . . . A 59 PRO HB3 . 25544 1 18 . 1 1 2 2 PRO HG2 H 1 1.986 0.030 . 2 . . . A 59 PRO HG2 . 25544 1 19 . 1 1 2 2 PRO HG3 H 1 1.986 0.030 . 2 . . . A 59 PRO HG3 . 25544 1 20 . 1 1 2 2 PRO HD2 H 1 3.791 0.030 . 2 . . . A 59 PRO HD2 . 25544 1 21 . 1 1 2 2 PRO HD3 H 1 3.596 0.030 . 2 . . . A 59 PRO HD3 . 25544 1 22 . 1 1 2 2 PRO CA C 13 62.945 0.300 . 1 . . . A 59 PRO CA . 25544 1 23 . 1 1 2 2 PRO CB C 13 32.254 0.300 . 1 . . . A 59 PRO CB . 25544 1 24 . 1 1 2 2 PRO CG C 13 27.383 0.300 . 1 . . . A 59 PRO CG . 25544 1 25 . 1 1 2 2 PRO CD C 13 50.630 0.300 . 1 . . . A 59 PRO CD . 25544 1 26 . 1 1 3 3 LYS H H 1 8.526 0.030 . 1 . . . A 60 LYS H . 25544 1 27 . 1 1 3 3 LYS HA H 1 4.248 0.030 . 1 . . . A 60 LYS HA . 25544 1 28 . 1 1 3 3 LYS HB2 H 1 1.724 0.030 . 2 . . . A 60 LYS HB2 . 25544 1 29 . 1 1 3 3 LYS HB3 H 1 1.789 0.030 . 2 . . . A 60 LYS HB3 . 25544 1 30 . 1 1 3 3 LYS HG2 H 1 1.457 0.030 . 2 . . . A 60 LYS HG2 . 25544 1 31 . 1 1 3 3 LYS HG3 H 1 1.457 0.030 . 2 . . . A 60 LYS HG3 . 25544 1 32 . 1 1 3 3 LYS HD2 H 1 1.682 0.030 . 2 . . . A 60 LYS HD2 . 25544 1 33 . 1 1 3 3 LYS HD3 H 1 1.682 0.030 . 2 . . . A 60 LYS HD3 . 25544 1 34 . 1 1 3 3 LYS HE2 H 1 2.960 0.030 . 2 . . . A 60 LYS HE2 . 25544 1 35 . 1 1 3 3 LYS HE3 H 1 2.960 0.030 . 2 . . . A 60 LYS HE3 . 25544 1 36 . 1 1 3 3 LYS CA C 13 56.328 0.300 . 1 . . . A 60 LYS CA . 25544 1 37 . 1 1 3 3 LYS CB C 13 32.907 0.300 . 1 . . . A 60 LYS CB . 25544 1 38 . 1 1 3 3 LYS CG C 13 24.876 0.300 . 1 . . . A 60 LYS CG . 25544 1 39 . 1 1 3 3 LYS CD C 13 29.026 0.300 . 1 . . . A 60 LYS CD . 25544 1 40 . 1 1 3 3 LYS CE C 13 42.091 0.300 . 1 . . . A 60 LYS CE . 25544 1 41 . 1 1 3 3 LYS N N 15 122.364 0.300 . 1 . . . A 60 LYS N . 25544 1 42 . 1 1 4 4 MET H H 1 8.488 0.030 . 1 . . . A 61 MET H . 25544 1 43 . 1 1 4 4 MET HA H 1 4.582 0.030 . 1 . . . A 61 MET HA . 25544 1 44 . 1 1 4 4 MET HB2 H 1 1.855 0.030 . 2 . . . A 61 MET HB2 . 25544 1 45 . 1 1 4 4 MET HB3 H 1 1.936 0.030 . 2 . . . A 61 MET HB3 . 25544 1 46 . 1 1 4 4 MET HG2 H 1 2.475 0.030 . 2 . . . A 61 MET HG2 . 25544 1 47 . 1 1 4 4 MET HG3 H 1 2.509 0.030 . 2 . . . A 61 MET HG3 . 25544 1 48 . 1 1 4 4 MET HE1 H 1 1.943 0.030 . 1 . . . A 61 MET ME . 25544 1 49 . 1 1 4 4 MET HE2 H 1 1.943 0.030 . 1 . . . A 61 MET ME . 25544 1 50 . 1 1 4 4 MET HE3 H 1 1.943 0.030 . 1 . . . A 61 MET ME . 25544 1 51 . 1 1 4 4 MET C C 13 173.077 0.300 . 1 . . . A 61 MET C . 25544 1 52 . 1 1 4 4 MET CA C 13 55.370 0.300 . 1 . . . A 61 MET CA . 25544 1 53 . 1 1 4 4 MET CB C 13 34.713 0.300 . 1 . . . A 61 MET CB . 25544 1 54 . 1 1 4 4 MET CG C 13 32.244 0.300 . 1 . . . A 61 MET CG . 25544 1 55 . 1 1 4 4 MET CE C 13 16.896 0.300 . 1 . . . A 61 MET CE . 25544 1 56 . 1 1 4 4 MET N N 15 122.919 0.300 . 1 . . . A 61 MET N . 25544 1 57 . 1 1 5 5 THR H H 1 8.408 0.030 . 1 . . . A 62 THR H . 25544 1 58 . 1 1 5 5 THR HA H 1 4.617 0.030 . 1 . . . A 62 THR HA . 25544 1 59 . 1 1 5 5 THR HB H 1 4.763 0.030 . 1 . . . A 62 THR HB . 25544 1 60 . 1 1 5 5 THR HG21 H 1 1.310 0.030 . 1 . . . A 62 THR MG . 25544 1 61 . 1 1 5 5 THR HG22 H 1 1.310 0.030 . 1 . . . A 62 THR MG . 25544 1 62 . 1 1 5 5 THR HG23 H 1 1.310 0.030 . 1 . . . A 62 THR MG . 25544 1 63 . 1 1 5 5 THR C C 13 170.881 0.300 . 1 . . . A 62 THR C . 25544 1 64 . 1 1 5 5 THR CA C 13 59.700 0.300 . 1 . . . A 62 THR CA . 25544 1 65 . 1 1 5 5 THR CB C 13 68.605 0.300 . 1 . . . A 62 THR CB . 25544 1 66 . 1 1 5 5 THR CG2 C 13 21.933 0.300 . 1 . . . A 62 THR CG2 . 25544 1 67 . 1 1 5 5 THR N N 15 114.972 0.300 . 1 . . . A 62 THR N . 25544 1 68 . 1 1 6 6 PRO HA H 1 4.047 0.030 . 1 . . . A 63 PRO HA . 25544 1 69 . 1 1 6 6 PRO HB2 H 1 2.291 0.030 . 2 . . . A 63 PRO HB2 . 25544 1 70 . 1 1 6 6 PRO HB3 H 1 1.927 0.030 . 2 . . . A 63 PRO HB3 . 25544 1 71 . 1 1 6 6 PRO HG2 H 1 1.887 0.030 . 2 . . . A 63 PRO HG2 . 25544 1 72 . 1 1 6 6 PRO HG3 H 1 2.139 0.030 . 2 . . . A 63 PRO HG3 . 25544 1 73 . 1 1 6 6 PRO HD2 H 1 3.901 0.030 . 2 . . . A 63 PRO HD2 . 25544 1 74 . 1 1 6 6 PRO HD3 H 1 3.901 0.030 . 2 . . . A 63 PRO HD3 . 25544 1 75 . 1 1 6 6 PRO CA C 13 65.722 0.300 . 1 . . . A 63 PRO CA . 25544 1 76 . 1 1 6 6 PRO CB C 13 32.023 0.300 . 1 . . . A 63 PRO CB . 25544 1 77 . 1 1 6 6 PRO CG C 13 28.148 0.300 . 1 . . . A 63 PRO CG . 25544 1 78 . 1 1 6 6 PRO CD C 13 50.366 0.300 . 1 . . . A 63 PRO CD . 25544 1 79 . 1 1 7 7 GLU H H 1 8.717 0.030 . 1 . . . A 64 GLU H . 25544 1 80 . 1 1 7 7 GLU HA H 1 3.890 0.030 . 1 . . . A 64 GLU HA . 25544 1 81 . 1 1 7 7 GLU HB2 H 1 2.117 0.030 . 2 . . . A 64 GLU HB2 . 25544 1 82 . 1 1 7 7 GLU HB3 H 1 1.903 0.030 . 2 . . . A 64 GLU HB3 . 25544 1 83 . 1 1 7 7 GLU HG2 H 1 2.422 0.030 . 2 . . . A 64 GLU HG2 . 25544 1 84 . 1 1 7 7 GLU HG3 H 1 2.422 0.030 . 2 . . . A 64 GLU HG3 . 25544 1 85 . 1 1 7 7 GLU CA C 13 59.845 0.300 . 1 . . . A 64 GLU CA . 25544 1 86 . 1 1 7 7 GLU CB C 13 29.234 0.300 . 1 . . . A 64 GLU CB . 25544 1 87 . 1 1 7 7 GLU CG C 13 36.563 0.300 . 1 . . . A 64 GLU CG . 25544 1 88 . 1 1 7 7 GLU N N 15 117.301 0.300 . 1 . . . A 64 GLU N . 25544 1 89 . 1 1 8 8 GLN H H 1 7.835 0.030 . 1 . . . A 65 GLN H . 25544 1 90 . 1 1 8 8 GLN HA H 1 3.893 0.030 . 1 . . . A 65 GLN HA . 25544 1 91 . 1 1 8 8 GLN HB2 H 1 1.893 0.030 . 2 . . . A 65 GLN HB2 . 25544 1 92 . 1 1 8 8 GLN HB3 H 1 2.252 0.030 . 2 . . . A 65 GLN HB3 . 25544 1 93 . 1 1 8 8 GLN HG2 H 1 2.375 0.030 . 2 . . . A 65 GLN HG2 . 25544 1 94 . 1 1 8 8 GLN HG3 H 1 2.415 0.030 . 2 . . . A 65 GLN HG3 . 25544 1 95 . 1 1 8 8 GLN HE21 H 1 6.867 0.030 . 2 . . . A 65 GLN HE21 . 25544 1 96 . 1 1 8 8 GLN HE22 H 1 7.810 0.030 . 2 . . . A 65 GLN HE22 . 25544 1 97 . 1 1 8 8 GLN CA C 13 58.466 0.300 . 1 . . . A 65 GLN CA . 25544 1 98 . 1 1 8 8 GLN CB C 13 28.272 0.300 . 1 . . . A 65 GLN CB . 25544 1 99 . 1 1 8 8 GLN CG C 13 33.852 0.300 . 1 . . . A 65 GLN CG . 25544 1 100 . 1 1 8 8 GLN N N 15 121.270 0.300 . 1 . . . A 65 GLN N . 25544 1 101 . 1 1 8 8 GLN NE2 N 15 111.931 0.300 . 1 . . . A 65 GLN NE2 . 25544 1 102 . 1 1 9 9 MET H H 1 8.176 0.030 . 1 . . . A 66 MET H . 25544 1 103 . 1 1 9 9 MET HA H 1 3.452 0.030 . 1 . . . A 66 MET HA . 25544 1 104 . 1 1 9 9 MET HB2 H 1 1.707 0.030 . 2 . . . A 66 MET HB2 . 25544 1 105 . 1 1 9 9 MET HB3 H 1 1.309 0.030 . 2 . . . A 66 MET HB3 . 25544 1 106 . 1 1 9 9 MET HG2 H 1 1.531 0.030 . 2 . . . A 66 MET HG2 . 25544 1 107 . 1 1 9 9 MET HG3 H 1 1.554 0.030 . 2 . . . A 66 MET HG3 . 25544 1 108 . 1 1 9 9 MET HE1 H 1 1.827 0.030 . 1 . . . A 66 MET ME . 25544 1 109 . 1 1 9 9 MET HE2 H 1 1.827 0.030 . 1 . . . A 66 MET ME . 25544 1 110 . 1 1 9 9 MET HE3 H 1 1.827 0.030 . 1 . . . A 66 MET ME . 25544 1 111 . 1 1 9 9 MET CA C 13 59.490 0.300 . 1 . . . A 66 MET CA . 25544 1 112 . 1 1 9 9 MET CB C 13 32.808 0.300 . 1 . . . A 66 MET CB . 25544 1 113 . 1 1 9 9 MET CG C 13 32.312 0.300 . 1 . . . A 66 MET CG . 25544 1 114 . 1 1 9 9 MET CE C 13 16.810 0.300 . 1 . . . A 66 MET CE . 25544 1 115 . 1 1 9 9 MET N N 15 119.383 0.300 . 1 . . . A 66 MET N . 25544 1 116 . 1 1 10 10 ALA H H 1 7.900 0.030 . 1 . . . A 67 ALA H . 25544 1 117 . 1 1 10 10 ALA HA H 1 3.587 0.030 . 1 . . . A 67 ALA HA . 25544 1 118 . 1 1 10 10 ALA HB1 H 1 0.700 0.030 . 1 . . . A 67 ALA MB . 25544 1 119 . 1 1 10 10 ALA HB2 H 1 0.700 0.030 . 1 . . . A 67 ALA MB . 25544 1 120 . 1 1 10 10 ALA HB3 H 1 0.700 0.030 . 1 . . . A 67 ALA MB . 25544 1 121 . 1 1 10 10 ALA CA C 13 55.080 0.300 . 1 . . . A 67 ALA CA . 25544 1 122 . 1 1 10 10 ALA CB C 13 17.339 0.300 . 1 . . . A 67 ALA CB . 25544 1 123 . 1 1 10 10 ALA N N 15 120.982 0.300 . 1 . . . A 67 ALA N . 25544 1 124 . 1 1 11 11 LYS H H 1 7.692 0.030 . 1 . . . A 68 LYS H . 25544 1 125 . 1 1 11 11 LYS HA H 1 3.900 0.030 . 1 . . . A 68 LYS HA . 25544 1 126 . 1 1 11 11 LYS HB2 H 1 1.843 0.030 . 2 . . . A 68 LYS HB2 . 25544 1 127 . 1 1 11 11 LYS HB3 H 1 1.836 0.030 . 2 . . . A 68 LYS HB3 . 25544 1 128 . 1 1 11 11 LYS HG2 H 1 1.297 0.030 . 2 . . . A 68 LYS HG2 . 25544 1 129 . 1 1 11 11 LYS HG3 H 1 1.437 0.030 . 2 . . . A 68 LYS HG3 . 25544 1 130 . 1 1 11 11 LYS HD2 H 1 1.652 0.030 . 2 . . . A 68 LYS HD2 . 25544 1 131 . 1 1 11 11 LYS HD3 H 1 1.667 0.030 . 2 . . . A 68 LYS HD3 . 25544 1 132 . 1 1 11 11 LYS HE2 H 1 2.931 0.030 . 2 . . . A 68 LYS HE2 . 25544 1 133 . 1 1 11 11 LYS HE3 H 1 2.931 0.030 . 2 . . . A 68 LYS HE3 . 25544 1 134 . 1 1 11 11 LYS CA C 13 59.435 0.300 . 1 . . . A 68 LYS CA . 25544 1 135 . 1 1 11 11 LYS CB C 13 32.331 0.300 . 1 . . . A 68 LYS CB . 25544 1 136 . 1 1 11 11 LYS CG C 13 24.710 0.300 . 1 . . . A 68 LYS CG . 25544 1 137 . 1 1 11 11 LYS CD C 13 29.410 0.300 . 1 . . . A 68 LYS CD . 25544 1 138 . 1 1 11 11 LYS CE C 13 42.091 0.300 . 1 . . . A 68 LYS CE . 25544 1 139 . 1 1 11 11 LYS N N 15 119.922 0.300 . 1 . . . A 68 LYS N . 25544 1 140 . 1 1 12 12 GLU H H 1 7.791 0.030 . 1 . . . A 69 GLU H . 25544 1 141 . 1 1 12 12 GLU HA H 1 3.904 0.030 . 1 . . . A 69 GLU HA . 25544 1 142 . 1 1 12 12 GLU HB2 H 1 1.927 0.030 . 2 . . . A 69 GLU HB2 . 25544 1 143 . 1 1 12 12 GLU HB3 H 1 2.072 0.030 . 2 . . . A 69 GLU HB3 . 25544 1 144 . 1 1 12 12 GLU HG2 H 1 2.312 0.030 . 2 . . . A 69 GLU HG2 . 25544 1 145 . 1 1 12 12 GLU HG3 H 1 2.055 0.030 . 2 . . . A 69 GLU HG3 . 25544 1 146 . 1 1 12 12 GLU CA C 13 59.922 0.300 . 1 . . . A 69 GLU CA . 25544 1 147 . 1 1 12 12 GLU CB C 13 29.410 0.300 . 1 . . . A 69 GLU CB . 25544 1 148 . 1 1 12 12 GLU CG C 13 37.445 0.300 . 1 . . . A 69 GLU CG . 25544 1 149 . 1 1 12 12 GLU N N 15 119.473 0.300 . 1 . . . A 69 GLU N . 25544 1 150 . 1 1 13 13 MET H H 1 8.619 0.030 . 1 . . . A 70 MET H . 25544 1 151 . 1 1 13 13 MET HA H 1 3.674 0.030 . 1 . . . A 70 MET HA . 25544 1 152 . 1 1 13 13 MET HB2 H 1 1.391 0.030 . 2 . . . A 70 MET HB2 . 25544 1 153 . 1 1 13 13 MET HB3 H 1 2.069 0.030 . 2 . . . A 70 MET HB3 . 25544 1 154 . 1 1 13 13 MET HG2 H 1 0.931 0.030 . 2 . . . A 70 MET HG2 . 25544 1 155 . 1 1 13 13 MET HG3 H 1 2.595 0.030 . 2 . . . A 70 MET HG3 . 25544 1 156 . 1 1 13 13 MET HE1 H 1 1.677 0.030 . 1 . . . A 70 MET ME . 25544 1 157 . 1 1 13 13 MET HE2 H 1 1.677 0.030 . 1 . . . A 70 MET ME . 25544 1 158 . 1 1 13 13 MET HE3 H 1 1.677 0.030 . 1 . . . A 70 MET ME . 25544 1 159 . 1 1 13 13 MET C C 13 174.607 0.300 . 1 . . . A 70 MET C . 25544 1 160 . 1 1 13 13 MET CA C 13 60.691 0.300 . 1 . . . A 70 MET CA . 25544 1 161 . 1 1 13 13 MET CB C 13 34.375 0.300 . 1 . . . A 70 MET CB . 25544 1 162 . 1 1 13 13 MET CG C 13 32.826 0.300 . 1 . . . A 70 MET CG . 25544 1 163 . 1 1 13 13 MET CE C 13 16.544 0.300 . 1 . . . A 70 MET CE . 25544 1 164 . 1 1 13 13 MET N N 15 118.480 0.300 . 1 . . . A 70 MET N . 25544 1 165 . 1 1 14 14 SER H H 1 8.203 0.030 . 1 . . . A 71 SER H . 25544 1 166 . 1 1 14 14 SER HA H 1 4.005 0.030 . 1 . . . A 71 SER HA . 25544 1 167 . 1 1 14 14 SER HB2 H 1 3.958 0.030 . 2 . . . A 71 SER HB2 . 25544 1 168 . 1 1 14 14 SER HB3 H 1 4.022 0.030 . 2 . . . A 71 SER HB3 . 25544 1 169 . 1 1 14 14 SER CA C 13 60.076 0.300 . 1 . . . A 71 SER CA . 25544 1 170 . 1 1 14 14 SER CB C 13 62.749 0.300 . 1 . . . A 71 SER CB . 25544 1 171 . 1 1 14 14 SER N N 15 113.679 0.300 . 1 . . . A 71 SER N . 25544 1 172 . 1 1 15 15 GLU H H 1 8.042 0.030 . 1 . . . A 72 GLU H . 25544 1 173 . 1 1 15 15 GLU HA H 1 4.023 0.030 . 1 . . . A 72 GLU HA . 25544 1 174 . 1 1 15 15 GLU HB2 H 1 1.968 0.030 . 2 . . . A 72 GLU HB2 . 25544 1 175 . 1 1 15 15 GLU HB3 H 1 2.088 0.030 . 2 . . . A 72 GLU HB3 . 25544 1 176 . 1 1 15 15 GLU HG2 H 1 2.171 0.030 . 2 . . . A 72 GLU HG2 . 25544 1 177 . 1 1 15 15 GLU HG3 H 1 2.393 0.030 . 2 . . . A 72 GLU HG3 . 25544 1 178 . 1 1 15 15 GLU CA C 13 59.421 0.300 . 1 . . . A 72 GLU CA . 25544 1 179 . 1 1 15 15 GLU CB C 13 28.854 0.300 . 1 . . . A 72 GLU CB . 25544 1 180 . 1 1 15 15 GLU CG C 13 36.355 0.300 . 1 . . . A 72 GLU CG . 25544 1 181 . 1 1 15 15 GLU N N 15 123.151 0.300 . 1 . . . A 72 GLU N . 25544 1 182 . 1 1 16 16 PHE H H 1 8.283 0.030 . 1 . . . A 73 PHE H . 25544 1 183 . 1 1 16 16 PHE HA H 1 4.298 0.030 . 1 . . . A 73 PHE HA . 25544 1 184 . 1 1 16 16 PHE HB2 H 1 3.317 0.030 . 2 . . . A 73 PHE HB2 . 25544 1 185 . 1 1 16 16 PHE HB3 H 1 3.165 0.030 . 2 . . . A 73 PHE HB3 . 25544 1 186 . 1 1 16 16 PHE HD1 H 1 7.134 0.030 . 3 . . . A 73 PHE HD1 . 25544 1 187 . 1 1 16 16 PHE HD2 H 1 7.134 0.030 . 3 . . . A 73 PHE HD2 . 25544 1 188 . 1 1 16 16 PHE HE1 H 1 7.264 0.030 . 3 . . . A 73 PHE HE1 . 25544 1 189 . 1 1 16 16 PHE HE2 H 1 7.264 0.030 . 3 . . . A 73 PHE HE2 . 25544 1 190 . 1 1 16 16 PHE CA C 13 61.388 0.300 . 1 . . . A 73 PHE CA . 25544 1 191 . 1 1 16 16 PHE CB C 13 38.940 0.300 . 1 . . . A 73 PHE CB . 25544 1 192 . 1 1 16 16 PHE CD1 C 13 131.488 0.300 . 3 . . . A 73 PHE CD1 . 25544 1 193 . 1 1 16 16 PHE CD2 C 13 131.488 0.300 . 3 . . . A 73 PHE CD2 . 25544 1 194 . 1 1 16 16 PHE CE1 C 13 131.568 0.300 . 3 . . . A 73 PHE CE1 . 25544 1 195 . 1 1 16 16 PHE CE2 C 13 131.568 0.300 . 3 . . . A 73 PHE CE2 . 25544 1 196 . 1 1 16 16 PHE N N 15 119.838 0.300 . 1 . . . A 73 PHE N . 25544 1 197 . 1 1 17 17 LEU H H 1 8.233 0.030 . 1 . . . A 74 LEU H . 25544 1 198 . 1 1 17 17 LEU HA H 1 4.101 0.030 . 1 . . . A 74 LEU HA . 25544 1 199 . 1 1 17 17 LEU HB2 H 1 1.935 0.030 . 2 . . . A 74 LEU HB2 . 25544 1 200 . 1 1 17 17 LEU HB3 H 1 1.544 0.030 . 2 . . . A 74 LEU HB3 . 25544 1 201 . 1 1 17 17 LEU HG H 1 2.064 0.030 . 1 . . . A 74 LEU HG . 25544 1 202 . 1 1 17 17 LEU HD11 H 1 0.700 0.030 . 2 . . . A 74 LEU MD1 . 25544 1 203 . 1 1 17 17 LEU HD12 H 1 0.700 0.030 . 2 . . . A 74 LEU MD1 . 25544 1 204 . 1 1 17 17 LEU HD13 H 1 0.700 0.030 . 2 . . . A 74 LEU MD1 . 25544 1 205 . 1 1 17 17 LEU HD21 H 1 1.000 0.030 . 2 . . . A 74 LEU MD2 . 25544 1 206 . 1 1 17 17 LEU HD22 H 1 1.000 0.030 . 2 . . . A 74 LEU MD2 . 25544 1 207 . 1 1 17 17 LEU HD23 H 1 1.000 0.030 . 2 . . . A 74 LEU MD2 . 25544 1 208 . 1 1 17 17 LEU CA C 13 57.002 0.300 . 1 . . . A 74 LEU CA . 25544 1 209 . 1 1 17 17 LEU CB C 13 41.553 0.300 . 1 . . . A 74 LEU CB . 25544 1 210 . 1 1 17 17 LEU CG C 13 26.684 0.300 . 1 . . . A 74 LEU CG . 25544 1 211 . 1 1 17 17 LEU CD1 C 13 25.350 0.300 . 2 . . . A 74 LEU CD1 . 25544 1 212 . 1 1 17 17 LEU CD2 C 13 22.688 0.300 . 2 . . . A 74 LEU CD2 . 25544 1 213 . 1 1 17 17 LEU N N 15 117.999 0.300 . 1 . . . A 74 LEU N . 25544 1 214 . 1 1 18 18 SER H H 1 7.911 0.030 . 1 . . . A 75 SER H . 25544 1 215 . 1 1 18 18 SER HA H 1 4.368 0.030 . 1 . . . A 75 SER HA . 25544 1 216 . 1 1 18 18 SER HB2 H 1 3.997 0.030 . 2 . . . A 75 SER HB2 . 25544 1 217 . 1 1 18 18 SER HB3 H 1 4.008 0.030 . 2 . . . A 75 SER HB3 . 25544 1 218 . 1 1 18 18 SER CA C 13 60.194 0.300 . 1 . . . A 75 SER CA . 25544 1 219 . 1 1 18 18 SER CB C 13 63.534 0.300 . 1 . . . A 75 SER CB . 25544 1 220 . 1 1 18 18 SER N N 15 114.535 0.300 . 1 . . . A 75 SER N . 25544 1 221 . 1 1 19 19 ARG H H 1 7.433 0.030 . 1 . . . A 76 ARG H . 25544 1 222 . 1 1 19 19 ARG HA H 1 4.391 0.030 . 1 . . . A 76 ARG HA . 25544 1 223 . 1 1 19 19 ARG HB2 H 1 1.763 0.030 . 2 . . . A 76 ARG HB2 . 25544 1 224 . 1 1 19 19 ARG HB3 H 1 1.932 0.030 . 2 . . . A 76 ARG HB3 . 25544 1 225 . 1 1 19 19 ARG HG2 H 1 1.791 0.030 . 2 . . . A 76 ARG HG2 . 25544 1 226 . 1 1 19 19 ARG HG3 H 1 1.649 0.030 . 2 . . . A 76 ARG HG3 . 25544 1 227 . 1 1 19 19 ARG HD2 H 1 3.168 0.030 . 2 . . . A 76 ARG HD2 . 25544 1 228 . 1 1 19 19 ARG HD3 H 1 3.084 0.030 . 2 . . . A 76 ARG HD3 . 25544 1 229 . 1 1 19 19 ARG HE H 1 7.382 0.030 . 1 . . . A 76 ARG HE . 25544 1 230 . 1 1 19 19 ARG CA C 13 56.288 0.300 . 1 . . . A 76 ARG CA . 25544 1 231 . 1 1 19 19 ARG CB C 13 31.027 0.300 . 1 . . . A 76 ARG CB . 25544 1 232 . 1 1 19 19 ARG CG C 13 27.141 0.300 . 1 . . . A 76 ARG CG . 25544 1 233 . 1 1 19 19 ARG CD C 13 43.782 0.300 . 1 . . . A 76 ARG CD . 25544 1 234 . 1 1 19 19 ARG N N 15 120.459 0.300 . 1 . . . A 76 ARG N . 25544 1 235 . 1 1 19 19 ARG NE N 15 84.690 0.300 . 1 . . . A 76 ARG NE . 25544 1 236 . 1 1 20 20 GLY H H 1 7.869 0.030 . 1 . . . A 77 GLY H . 25544 1 237 . 1 1 20 20 GLY HA2 H 1 4.180 0.030 . 2 . . . A 77 GLY HA2 . 25544 1 238 . 1 1 20 20 GLY HA3 H 1 3.882 0.030 . 2 . . . A 77 GLY HA3 . 25544 1 239 . 1 1 20 20 GLY CA C 13 44.522 0.300 . 1 . . . A 77 GLY CA . 25544 1 240 . 1 1 20 20 GLY N N 15 108.567 0.300 . 1 . . . A 77 GLY N . 25544 1 241 . 1 1 21 21 PRO HA H 1 4.404 0.030 . 1 . . . A 78 PRO HA . 25544 1 242 . 1 1 21 21 PRO HB2 H 1 1.914 0.030 . 2 . . . A 78 PRO HB2 . 25544 1 243 . 1 1 21 21 PRO HB3 H 1 2.252 0.030 . 2 . . . A 78 PRO HB3 . 25544 1 244 . 1 1 21 21 PRO HG2 H 1 1.972 0.030 . 2 . . . A 78 PRO HG2 . 25544 1 245 . 1 1 21 21 PRO HG3 H 1 1.972 0.030 . 2 . . . A 78 PRO HG3 . 25544 1 246 . 1 1 21 21 PRO HD2 H 1 3.590 0.030 . 2 . . . A 78 PRO HD2 . 25544 1 247 . 1 1 21 21 PRO HD3 H 1 3.483 0.030 . 2 . . . A 78 PRO HD3 . 25544 1 248 . 1 1 21 21 PRO C C 13 173.976 0.300 . 1 . . . A 78 PRO C . 25544 1 249 . 1 1 21 21 PRO CA C 13 62.662 0.300 . 1 . . . A 78 PRO CA . 25544 1 250 . 1 1 21 21 PRO CB C 13 32.331 0.300 . 1 . . . A 78 PRO CB . 25544 1 251 . 1 1 21 21 PRO CG C 13 27.199 0.300 . 1 . . . A 78 PRO CG . 25544 1 252 . 1 1 21 21 PRO CD C 13 49.610 0.300 . 1 . . . A 78 PRO CD . 25544 1 253 . 1 1 22 22 ALA H H 1 8.500 0.030 . 1 . . . A 79 ALA H . 25544 1 254 . 1 1 22 22 ALA HA H 1 4.229 0.030 . 1 . . . A 79 ALA HA . 25544 1 255 . 1 1 22 22 ALA HB1 H 1 1.341 0.030 . 1 . . . A 79 ALA MB . 25544 1 256 . 1 1 22 22 ALA HB2 H 1 1.341 0.030 . 1 . . . A 79 ALA MB . 25544 1 257 . 1 1 22 22 ALA HB3 H 1 1.341 0.030 . 1 . . . A 79 ALA MB . 25544 1 258 . 1 1 22 22 ALA C C 13 175.117 0.300 . 1 . . . A 79 ALA C . 25544 1 259 . 1 1 22 22 ALA CA C 13 52.494 0.300 . 1 . . . A 79 ALA CA . 25544 1 260 . 1 1 22 22 ALA CB C 13 18.815 0.300 . 1 . . . A 79 ALA CB . 25544 1 261 . 1 1 22 22 ALA N N 15 124.447 0.300 . 1 . . . A 79 ALA N . 25544 1 262 . 1 1 23 23 VAL H H 1 8.171 0.030 . 1 . . . A 80 VAL H . 25544 1 263 . 1 1 23 23 VAL HA H 1 3.982 0.030 . 1 . . . A 80 VAL HA . 25544 1 264 . 1 1 23 23 VAL HB H 1 1.923 0.030 . 1 . . . A 80 VAL HB . 25544 1 265 . 1 1 23 23 VAL HG11 H 1 0.838 0.030 . 2 . . . A 80 VAL MG1 . 25544 1 266 . 1 1 23 23 VAL HG12 H 1 0.838 0.030 . 2 . . . A 80 VAL MG1 . 25544 1 267 . 1 1 23 23 VAL HG13 H 1 0.838 0.030 . 2 . . . A 80 VAL MG1 . 25544 1 268 . 1 1 23 23 VAL HG21 H 1 0.887 0.030 . 2 . . . A 80 VAL MG2 . 25544 1 269 . 1 1 23 23 VAL HG22 H 1 0.887 0.030 . 2 . . . A 80 VAL MG2 . 25544 1 270 . 1 1 23 23 VAL HG23 H 1 0.887 0.030 . 2 . . . A 80 VAL MG2 . 25544 1 271 . 1 1 23 23 VAL C C 13 173.110 0.300 . 1 . . . A 80 VAL C . 25544 1 272 . 1 1 23 23 VAL CA C 13 62.279 0.300 . 1 . . . A 80 VAL CA . 25544 1 273 . 1 1 23 23 VAL CB C 13 32.792 0.300 . 1 . . . A 80 VAL CB . 25544 1 274 . 1 1 23 23 VAL CG1 C 13 21.161 0.300 . 2 . . . A 80 VAL CG1 . 25544 1 275 . 1 1 23 23 VAL CG2 C 13 20.774 0.300 . 2 . . . A 80 VAL CG2 . 25544 1 276 . 1 1 23 23 VAL N N 15 120.259 0.300 . 1 . . . A 80 VAL N . 25544 1 277 . 1 1 24 24 LEU H H 1 8.383 0.030 . 1 . . . A 81 LEU H . 25544 1 278 . 1 1 24 24 LEU HA H 1 4.322 0.030 . 1 . . . A 81 LEU HA . 25544 1 279 . 1 1 24 24 LEU HB2 H 1 1.590 0.030 . 2 . . . A 81 LEU HB2 . 25544 1 280 . 1 1 24 24 LEU HB3 H 1 1.518 0.030 . 2 . . . A 81 LEU HB3 . 25544 1 281 . 1 1 24 24 LEU HG H 1 1.584 0.030 . 1 . . . A 81 LEU HG . 25544 1 282 . 1 1 24 24 LEU HD11 H 1 0.873 0.030 . 2 . . . A 81 LEU MD1 . 25544 1 283 . 1 1 24 24 LEU HD12 H 1 0.873 0.030 . 2 . . . A 81 LEU MD1 . 25544 1 284 . 1 1 24 24 LEU HD13 H 1 0.873 0.030 . 2 . . . A 81 LEU MD1 . 25544 1 285 . 1 1 24 24 LEU HD21 H 1 0.829 0.030 . 2 . . . A 81 LEU MD2 . 25544 1 286 . 1 1 24 24 LEU HD22 H 1 0.829 0.030 . 2 . . . A 81 LEU MD2 . 25544 1 287 . 1 1 24 24 LEU HD23 H 1 0.829 0.030 . 2 . . . A 81 LEU MD2 . 25544 1 288 . 1 1 24 24 LEU C C 13 174.148 0.300 . 1 . . . A 81 LEU C . 25544 1 289 . 1 1 24 24 LEU CA C 13 54.703 0.300 . 1 . . . A 81 LEU CA . 25544 1 290 . 1 1 24 24 LEU CB C 13 42.399 0.300 . 1 . . . A 81 LEU CB . 25544 1 291 . 1 1 24 24 LEU CG C 13 26.930 0.300 . 1 . . . A 81 LEU CG . 25544 1 292 . 1 1 24 24 LEU CD1 C 13 24.906 0.300 . 2 . . . A 81 LEU CD1 . 25544 1 293 . 1 1 24 24 LEU CD2 C 13 23.489 0.300 . 2 . . . A 81 LEU CD2 . 25544 1 294 . 1 1 24 24 LEU N N 15 126.662 0.300 . 1 . . . A 81 LEU N . 25544 1 295 . 1 1 25 25 ALA H H 1 8.365 0.030 . 1 . . . A 82 ALA H . 25544 1 296 . 1 1 25 25 ALA HA H 1 4.306 0.030 . 1 . . . A 82 ALA HA . 25544 1 297 . 1 1 25 25 ALA HB1 H 1 1.367 0.030 . 1 . . . A 82 ALA MB . 25544 1 298 . 1 1 25 25 ALA HB2 H 1 1.367 0.030 . 1 . . . A 82 ALA MB . 25544 1 299 . 1 1 25 25 ALA HB3 H 1 1.367 0.030 . 1 . . . A 82 ALA MB . 25544 1 300 . 1 1 25 25 ALA C C 13 175.066 0.300 . 1 . . . A 82 ALA C . 25544 1 301 . 1 1 25 25 ALA CA C 13 52.575 0.300 . 1 . . . A 82 ALA CA . 25544 1 302 . 1 1 25 25 ALA CB C 13 19.068 0.300 . 1 . . . A 82 ALA CB . 25544 1 303 . 1 1 25 25 ALA N N 15 125.287 0.300 . 1 . . . A 82 ALA N . 25544 1 304 . 1 1 26 26 THR H H 1 8.072 0.030 . 1 . . . A 83 THR H . 25544 1 305 . 1 1 26 26 THR HA H 1 4.260 0.030 . 1 . . . A 83 THR HA . 25544 1 306 . 1 1 26 26 THR HB H 1 4.169 0.030 . 1 . . . A 83 THR HB . 25544 1 307 . 1 1 26 26 THR HG21 H 1 1.176 0.030 . 1 . . . A 83 THR MG . 25544 1 308 . 1 1 26 26 THR HG22 H 1 1.176 0.030 . 1 . . . A 83 THR MG . 25544 1 309 . 1 1 26 26 THR HG23 H 1 1.176 0.030 . 1 . . . A 83 THR MG . 25544 1 310 . 1 1 26 26 THR C C 13 173.438 0.300 . 1 . . . A 83 THR C . 25544 1 311 . 1 1 26 26 THR CA C 13 61.705 0.300 . 1 . . . A 83 THR CA . 25544 1 312 . 1 1 26 26 THR CB C 13 69.909 0.300 . 1 . . . A 83 THR CB . 25544 1 313 . 1 1 26 26 THR CG2 C 13 21.626 0.300 . 1 . . . A 83 THR CG2 . 25544 1 314 . 1 1 26 26 THR N N 15 113.497 0.300 . 1 . . . A 83 THR N . 25544 1 315 . 1 1 27 27 LYS H H 1 8.341 0.030 . 1 . . . A 84 LYS H . 25544 1 316 . 1 1 27 27 LYS HA H 1 4.273 0.030 . 1 . . . A 84 LYS HA . 25544 1 317 . 1 1 27 27 LYS HB2 H 1 1.803 0.030 . 2 . . . A 84 LYS HB2 . 25544 1 318 . 1 1 27 27 LYS HB3 H 1 1.763 0.030 . 2 . . . A 84 LYS HB3 . 25544 1 319 . 1 1 27 27 LYS HG2 H 1 1.407 0.030 . 2 . . . A 84 LYS HG2 . 25544 1 320 . 1 1 27 27 LYS HG3 H 1 1.407 0.030 . 2 . . . A 84 LYS HG3 . 25544 1 321 . 1 1 27 27 LYS HD2 H 1 1.657 0.030 . 2 . . . A 84 LYS HD2 . 25544 1 322 . 1 1 27 27 LYS HD3 H 1 1.657 0.030 . 2 . . . A 84 LYS HD3 . 25544 1 323 . 1 1 27 27 LYS HE2 H 1 2.938 0.030 . 2 . . . A 84 LYS HE2 . 25544 1 324 . 1 1 27 27 LYS HE3 H 1 2.938 0.030 . 2 . . . A 84 LYS HE3 . 25544 1 325 . 1 1 27 27 LYS C C 13 173.482 0.300 . 1 . . . A 84 LYS C . 25544 1 326 . 1 1 27 27 LYS CA C 13 56.287 0.300 . 1 . . . A 84 LYS CA . 25544 1 327 . 1 1 27 27 LYS CB C 13 32.869 0.300 . 1 . . . A 84 LYS CB . 25544 1 328 . 1 1 27 27 LYS CG C 13 24.645 0.300 . 1 . . . A 84 LYS CG . 25544 1 329 . 1 1 27 27 LYS CD C 13 28.949 0.300 . 1 . . . A 84 LYS CD . 25544 1 330 . 1 1 27 27 LYS CE C 13 42.015 0.300 . 1 . . . A 84 LYS CE . 25544 1 331 . 1 1 27 27 LYS N N 15 123.736 0.300 . 1 . . . A 84 LYS N . 25544 1 332 . 1 1 28 28 ALA H H 1 8.372 0.030 . 1 . . . A 85 ALA H . 25544 1 333 . 1 1 28 28 ALA HA H 1 4.259 0.030 . 1 . . . A 85 ALA HA . 25544 1 334 . 1 1 28 28 ALA HB1 H 1 1.354 0.030 . 1 . . . A 85 ALA MB . 25544 1 335 . 1 1 28 28 ALA HB2 H 1 1.354 0.030 . 1 . . . A 85 ALA MB . 25544 1 336 . 1 1 28 28 ALA HB3 H 1 1.354 0.030 . 1 . . . A 85 ALA MB . 25544 1 337 . 1 1 28 28 ALA C C 13 174.717 0.300 . 1 . . . A 85 ALA C . 25544 1 338 . 1 1 28 28 ALA CA C 13 52.787 0.300 . 1 . . . A 85 ALA CA . 25544 1 339 . 1 1 28 28 ALA CB C 13 19.205 0.300 . 1 . . . A 85 ALA CB . 25544 1 340 . 1 1 28 28 ALA N N 15 125.872 0.300 . 1 . . . A 85 ALA N . 25544 1 341 . 1 1 29 29 ALA H H 1 8.364 0.030 . 1 . . . A 86 ALA H . 25544 1 342 . 1 1 29 29 ALA HA H 1 4.227 0.030 . 1 . . . A 86 ALA HA . 25544 1 343 . 1 1 29 29 ALA HB1 H 1 1.362 0.030 . 1 . . . A 86 ALA MB . 25544 1 344 . 1 1 29 29 ALA HB2 H 1 1.362 0.030 . 1 . . . A 86 ALA MB . 25544 1 345 . 1 1 29 29 ALA HB3 H 1 1.362 0.030 . 1 . . . A 86 ALA MB . 25544 1 346 . 1 1 29 29 ALA C C 13 174.826 0.300 . 1 . . . A 86 ALA C . 25544 1 347 . 1 1 29 29 ALA CA C 13 52.467 0.300 . 1 . . . A 86 ALA CA . 25544 1 348 . 1 1 29 29 ALA CB C 13 19.188 0.300 . 1 . . . A 86 ALA CB . 25544 1 349 . 1 1 29 29 ALA N N 15 123.908 0.300 . 1 . . . A 86 ALA N . 25544 1 350 . 1 1 30 30 ALA H H 1 8.430 0.030 . 1 . . . A 87 ALA H . 25544 1 351 . 1 1 30 30 ALA HA H 1 4.246 0.030 . 1 . . . A 87 ALA HA . 25544 1 352 . 1 1 30 30 ALA HB1 H 1 1.380 0.030 . 1 . . . A 87 ALA MB . 25544 1 353 . 1 1 30 30 ALA HB2 H 1 1.380 0.030 . 1 . . . A 87 ALA MB . 25544 1 354 . 1 1 30 30 ALA HB3 H 1 1.380 0.030 . 1 . . . A 87 ALA MB . 25544 1 355 . 1 1 30 30 ALA C C 13 175.613 0.300 . 1 . . . A 87 ALA C . 25544 1 356 . 1 1 30 30 ALA CA C 13 52.322 0.300 . 1 . . . A 87 ALA CA . 25544 1 357 . 1 1 30 30 ALA CB C 13 19.111 0.300 . 1 . . . A 87 ALA CB . 25544 1 358 . 1 1 30 30 ALA N N 15 123.811 0.300 . 1 . . . A 87 ALA N . 25544 1 359 . 1 1 31 31 GLY H H 1 8.490 0.030 . 1 . . . A 88 GLY H . 25544 1 360 . 1 1 31 31 GLY HA2 H 1 3.945 0.030 . 2 . . . A 88 GLY HA2 . 25544 1 361 . 1 1 31 31 GLY HA3 H 1 3.945 0.030 . 2 . . . A 88 GLY HA3 . 25544 1 362 . 1 1 31 31 GLY C C 13 171.455 0.300 . 1 . . . A 88 GLY C . 25544 1 363 . 1 1 31 31 GLY CA C 13 43.351 0.300 . 1 . . . A 88 GLY CA . 25544 1 364 . 1 1 31 31 GLY N N 15 108.393 0.300 . 1 . . . A 88 GLY N . 25544 1 365 . 1 1 32 32 THR H H 1 8.120 0.030 . 1 . . . A 89 THR H . 25544 1 366 . 1 1 32 32 THR HA H 1 4.263 0.030 . 1 . . . A 89 THR HA . 25544 1 367 . 1 1 32 32 THR HB H 1 4.177 0.030 . 1 . . . A 89 THR HB . 25544 1 368 . 1 1 32 32 THR HG21 H 1 1.169 0.030 . 1 . . . A 89 THR MG . 25544 1 369 . 1 1 32 32 THR HG22 H 1 1.169 0.030 . 1 . . . A 89 THR MG . 25544 1 370 . 1 1 32 32 THR HG23 H 1 1.169 0.030 . 1 . . . A 89 THR MG . 25544 1 371 . 1 1 32 32 THR C C 13 171.741 0.300 . 1 . . . A 89 THR C . 25544 1 372 . 1 1 32 32 THR CA C 13 62.140 0.300 . 1 . . . A 89 THR CA . 25544 1 373 . 1 1 32 32 THR CB C 13 69.888 0.300 . 1 . . . A 89 THR CB . 25544 1 374 . 1 1 32 32 THR CG2 C 13 21.662 0.300 . 1 . . . A 89 THR CG2 . 25544 1 375 . 1 1 32 32 THR N N 15 113.807 0.300 . 1 . . . A 89 THR N . 25544 1 376 . 1 1 33 33 LYS H H 1 8.439 0.030 . 1 . . . A 90 LYS H . 25544 1 377 . 1 1 33 33 LYS HA H 1 4.154 0.030 . 1 . . . A 90 LYS HA . 25544 1 378 . 1 1 33 33 LYS HB2 H 1 1.596 0.030 . 2 . . . A 90 LYS HB2 . 25544 1 379 . 1 1 33 33 LYS HB3 H 1 1.596 0.030 . 2 . . . A 90 LYS HB3 . 25544 1 380 . 1 1 33 33 LYS HG2 H 1 1.156 0.030 . 2 . . . A 90 LYS HG2 . 25544 1 381 . 1 1 33 33 LYS HG3 H 1 1.284 0.030 . 2 . . . A 90 LYS HG3 . 25544 1 382 . 1 1 33 33 LYS HD2 H 1 1.567 0.030 . 2 . . . A 90 LYS HD2 . 25544 1 383 . 1 1 33 33 LYS HD3 H 1 1.567 0.030 . 2 . . . A 90 LYS HD3 . 25544 1 384 . 1 1 33 33 LYS HE2 H 1 2.864 0.030 . 2 . . . A 90 LYS HE2 . 25544 1 385 . 1 1 33 33 LYS HE3 H 1 2.864 0.030 . 2 . . . A 90 LYS HE3 . 25544 1 386 . 1 1 33 33 LYS C C 13 172.964 0.300 . 1 . . . A 90 LYS C . 25544 1 387 . 1 1 33 33 LYS CA C 13 56.285 0.300 . 1 . . . A 90 LYS CA . 25544 1 388 . 1 1 33 33 LYS CB C 13 32.833 0.300 . 1 . . . A 90 LYS CB . 25544 1 389 . 1 1 33 33 LYS CG C 13 24.656 0.300 . 1 . . . A 90 LYS CG . 25544 1 390 . 1 1 33 33 LYS CD C 13 28.959 0.300 . 1 . . . A 90 LYS CD . 25544 1 391 . 1 1 33 33 LYS CE C 13 41.980 0.300 . 1 . . . A 90 LYS CE . 25544 1 392 . 1 1 33 33 LYS N N 15 124.677 0.300 . 1 . . . A 90 LYS N . 25544 1 393 . 1 1 34 34 LYS H H 1 8.273 0.030 . 1 . . . A 91 LYS H . 25544 1 394 . 1 1 34 34 LYS HA H 1 4.151 0.030 . 1 . . . A 91 LYS HA . 25544 1 395 . 1 1 34 34 LYS HB2 H 1 1.493 0.030 . 2 . . . A 91 LYS HB2 . 25544 1 396 . 1 1 34 34 LYS HB3 H 1 1.512 0.030 . 2 . . . A 91 LYS HB3 . 25544 1 397 . 1 1 34 34 LYS HG2 H 1 1.156 0.030 . 2 . . . A 91 LYS HG2 . 25544 1 398 . 1 1 34 34 LYS HG3 H 1 0.975 0.030 . 2 . . . A 91 LYS HG3 . 25544 1 399 . 1 1 34 34 LYS HD2 H 1 1.503 0.030 . 2 . . . A 91 LYS HD2 . 25544 1 400 . 1 1 34 34 LYS HD3 H 1 1.503 0.030 . 2 . . . A 91 LYS HD3 . 25544 1 401 . 1 1 34 34 LYS HE2 H 1 2.848 0.030 . 2 . . . A 91 LYS HE2 . 25544 1 402 . 1 1 34 34 LYS HE3 H 1 2.848 0.030 . 2 . . . A 91 LYS HE3 . 25544 1 403 . 1 1 34 34 LYS C C 13 173.147 0.300 . 1 . . . A 91 LYS C . 25544 1 404 . 1 1 34 34 LYS CA C 13 56.327 0.300 . 1 . . . A 91 LYS CA . 25544 1 405 . 1 1 34 34 LYS CB C 13 33.223 0.300 . 1 . . . A 91 LYS CB . 25544 1 406 . 1 1 34 34 LYS CG C 13 24.581 0.300 . 1 . . . A 91 LYS CG . 25544 1 407 . 1 1 34 34 LYS CD C 13 29.007 0.300 . 1 . . . A 91 LYS CD . 25544 1 408 . 1 1 34 34 LYS CE C 13 41.970 0.300 . 1 . . . A 91 LYS CE . 25544 1 409 . 1 1 34 34 LYS N N 15 123.465 0.300 . 1 . . . A 91 LYS N . 25544 1 410 . 1 1 35 35 TYR H H 1 8.309 0.030 . 1 . . . A 92 TYR H . 25544 1 411 . 1 1 35 35 TYR HA H 1 4.436 0.030 . 1 . . . A 92 TYR HA . 25544 1 412 . 1 1 35 35 TYR HB2 H 1 2.491 0.030 . 2 . . . A 92 TYR HB2 . 25544 1 413 . 1 1 35 35 TYR HB3 H 1 2.491 0.030 . 2 . . . A 92 TYR HB3 . 25544 1 414 . 1 1 35 35 TYR HD1 H 1 6.920 0.030 . 3 . . . A 92 TYR HD1 . 25544 1 415 . 1 1 35 35 TYR HD2 H 1 6.920 0.030 . 3 . . . A 92 TYR HD2 . 25544 1 416 . 1 1 35 35 TYR HE1 H 1 6.622 0.030 . 3 . . . A 92 TYR HE1 . 25544 1 417 . 1 1 35 35 TYR HE2 H 1 6.622 0.030 . 3 . . . A 92 TYR HE2 . 25544 1 418 . 1 1 35 35 TYR C C 13 172.016 0.300 . 1 . . . A 92 TYR C . 25544 1 419 . 1 1 35 35 TYR CA C 13 57.451 0.300 . 1 . . . A 92 TYR CA . 25544 1 420 . 1 1 35 35 TYR CB C 13 40.426 0.300 . 1 . . . A 92 TYR CB . 25544 1 421 . 1 1 35 35 TYR CD1 C 13 133.050 0.300 . 3 . . . A 92 TYR CD1 . 25544 1 422 . 1 1 35 35 TYR CD2 C 13 133.050 0.300 . 3 . . . A 92 TYR CD2 . 25544 1 423 . 1 1 35 35 TYR CE1 C 13 117.838 0.300 . 3 . . . A 92 TYR CE1 . 25544 1 424 . 1 1 35 35 TYR CE2 C 13 117.838 0.300 . 3 . . . A 92 TYR CE2 . 25544 1 425 . 1 1 35 35 TYR N N 15 119.607 0.300 . 1 . . . A 92 TYR N . 25544 1 426 . 1 1 36 36 ASP H H 1 8.674 0.030 . 1 . . . A 93 ASP H . 25544 1 427 . 1 1 36 36 ASP HA H 1 4.695 0.030 . 1 . . . A 93 ASP HA . 25544 1 428 . 1 1 36 36 ASP HB2 H 1 2.519 0.030 . 2 . . . A 93 ASP HB2 . 25544 1 429 . 1 1 36 36 ASP HB3 H 1 2.854 0.030 . 2 . . . A 93 ASP HB3 . 25544 1 430 . 1 1 36 36 ASP C C 13 173.276 0.300 . 1 . . . A 93 ASP C . 25544 1 431 . 1 1 36 36 ASP CA C 13 52.774 0.300 . 1 . . . A 93 ASP CA . 25544 1 432 . 1 1 36 36 ASP CB C 13 40.370 0.300 . 1 . . . A 93 ASP CB . 25544 1 433 . 1 1 36 36 ASP N N 15 120.486 0.300 . 1 . . . A 93 ASP N . 25544 1 434 . 1 1 37 37 LEU H H 1 9.013 0.030 . 1 . . . A 94 LEU H . 25544 1 435 . 1 1 37 37 LEU HA H 1 3.704 0.030 . 1 . . . A 94 LEU HA . 25544 1 436 . 1 1 37 37 LEU HB2 H 1 0.835 0.030 . 2 . . . A 94 LEU HB2 . 25544 1 437 . 1 1 37 37 LEU HB3 H 1 1.003 0.030 . 2 . . . A 94 LEU HB3 . 25544 1 438 . 1 1 37 37 LEU HG H 1 0.827 0.030 . 1 . . . A 94 LEU HG . 25544 1 439 . 1 1 37 37 LEU HD11 H 1 0.099 0.030 . 2 . . . A 94 LEU MD1 . 25544 1 440 . 1 1 37 37 LEU HD12 H 1 0.099 0.030 . 2 . . . A 94 LEU MD1 . 25544 1 441 . 1 1 37 37 LEU HD13 H 1 0.099 0.030 . 2 . . . A 94 LEU MD1 . 25544 1 442 . 1 1 37 37 LEU HD21 H 1 -0.719 0.030 . 2 . . . A 94 LEU MD2 . 25544 1 443 . 1 1 37 37 LEU HD22 H 1 -0.719 0.030 . 2 . . . A 94 LEU MD2 . 25544 1 444 . 1 1 37 37 LEU HD23 H 1 -0.719 0.030 . 2 . . . A 94 LEU MD2 . 25544 1 445 . 1 1 37 37 LEU C C 13 175.592 0.300 . 1 . . . A 94 LEU C . 25544 1 446 . 1 1 37 37 LEU CA C 13 53.207 0.300 . 1 . . . A 94 LEU CA . 25544 1 447 . 1 1 37 37 LEU CB C 13 39.967 0.300 . 1 . . . A 94 LEU CB . 25544 1 448 . 1 1 37 37 LEU CG C 13 26.156 0.300 . 1 . . . A 94 LEU CG . 25544 1 449 . 1 1 37 37 LEU CD1 C 13 26.445 0.300 . 2 . . . A 94 LEU CD1 . 25544 1 450 . 1 1 37 37 LEU CD2 C 13 20.276 0.300 . 2 . . . A 94 LEU CD2 . 25544 1 451 . 1 1 37 37 LEU N N 15 126.535 0.300 . 1 . . . A 94 LEU N . 25544 1 452 . 1 1 38 38 SER H H 1 8.141 0.030 . 1 . . . A 95 SER H . 25544 1 453 . 1 1 38 38 SER HA H 1 4.312 0.030 . 1 . . . A 95 SER HA . 25544 1 454 . 1 1 38 38 SER HB2 H 1 4.021 0.030 . 2 . . . A 95 SER HB2 . 25544 1 455 . 1 1 38 38 SER HB3 H 1 3.855 0.030 . 2 . . . A 95 SER HB3 . 25544 1 456 . 1 1 38 38 SER C C 13 173.247 0.300 . 1 . . . A 95 SER C . 25544 1 457 . 1 1 38 38 SER CA C 13 61.768 0.300 . 1 . . . A 95 SER CA . 25544 1 458 . 1 1 38 38 SER CB C 13 62.843 0.300 . 1 . . . A 95 SER CB . 25544 1 459 . 1 1 38 38 SER N N 15 116.784 0.300 . 1 . . . A 95 SER N . 25544 1 460 . 1 1 39 39 LYS H H 1 8.536 0.030 . 1 . . . A 96 LYS H . 25544 1 461 . 1 1 39 39 LYS HA H 1 4.520 0.030 . 1 . . . A 96 LYS HA . 25544 1 462 . 1 1 39 39 LYS HB2 H 1 1.742 0.030 . 2 . . . A 96 LYS HB2 . 25544 1 463 . 1 1 39 39 LYS HB3 H 1 2.105 0.030 . 2 . . . A 96 LYS HB3 . 25544 1 464 . 1 1 39 39 LYS HG2 H 1 1.391 0.030 . 2 . . . A 96 LYS HG2 . 25544 1 465 . 1 1 39 39 LYS HG3 H 1 1.500 0.030 . 2 . . . A 96 LYS HG3 . 25544 1 466 . 1 1 39 39 LYS HD2 H 1 1.637 0.030 . 2 . . . A 96 LYS HD2 . 25544 1 467 . 1 1 39 39 LYS HD3 H 1 1.637 0.030 . 2 . . . A 96 LYS HD3 . 25544 1 468 . 1 1 39 39 LYS HE2 H 1 2.971 0.030 . 2 . . . A 96 LYS HE2 . 25544 1 469 . 1 1 39 39 LYS HE3 H 1 2.971 0.030 . 2 . . . A 96 LYS HE3 . 25544 1 470 . 1 1 39 39 LYS C C 13 175.079 0.300 . 1 . . . A 96 LYS C . 25544 1 471 . 1 1 39 39 LYS CA C 13 55.267 0.300 . 1 . . . A 96 LYS CA . 25544 1 472 . 1 1 39 39 LYS CB C 13 31.977 0.300 . 1 . . . A 96 LYS CB . 25544 1 473 . 1 1 39 39 LYS CG C 13 25.105 0.300 . 1 . . . A 96 LYS CG . 25544 1 474 . 1 1 39 39 LYS CD C 13 28.699 0.300 . 1 . . . A 96 LYS CD . 25544 1 475 . 1 1 39 39 LYS CE C 13 42.095 0.300 . 1 . . . A 96 LYS CE . 25544 1 476 . 1 1 39 39 LYS N N 15 118.341 0.300 . 1 . . . A 96 LYS N . 25544 1 477 . 1 1 40 40 TRP H H 1 7.864 0.030 . 1 . . . A 97 TRP H . 25544 1 478 . 1 1 40 40 TRP HA H 1 4.576 0.030 . 1 . . . A 97 TRP HA . 25544 1 479 . 1 1 40 40 TRP HB2 H 1 3.196 0.030 . 2 . . . A 97 TRP HB2 . 25544 1 480 . 1 1 40 40 TRP HB3 H 1 3.196 0.030 . 2 . . . A 97 TRP HB3 . 25544 1 481 . 1 1 40 40 TRP HD1 H 1 7.162 0.030 . 1 . . . A 97 TRP HD1 . 25544 1 482 . 1 1 40 40 TRP HE1 H 1 10.233 0.030 . 1 . . . A 97 TRP HE1 . 25544 1 483 . 1 1 40 40 TRP HE3 H 1 7.052 0.030 . 1 . . . A 97 TRP HE3 . 25544 1 484 . 1 1 40 40 TRP HZ2 H 1 7.329 0.030 . 1 . . . A 97 TRP HZ2 . 25544 1 485 . 1 1 40 40 TRP HZ3 H 1 7.032 0.030 . 1 . . . A 97 TRP HZ3 . 25544 1 486 . 1 1 40 40 TRP HH2 H 1 7.012 0.030 . 1 . . . A 97 TRP HH2 . 25544 1 487 . 1 1 40 40 TRP C C 13 174.862 0.300 . 1 . . . A 97 TRP C . 25544 1 488 . 1 1 40 40 TRP CA C 13 58.348 0.300 . 1 . . . A 97 TRP CA . 25544 1 489 . 1 1 40 40 TRP CB C 13 28.544 0.300 . 1 . . . A 97 TRP CB . 25544 1 490 . 1 1 40 40 TRP CD1 C 13 123.901 0.300 . 1 . . . A 97 TRP CD1 . 25544 1 491 . 1 1 40 40 TRP CE3 C 13 119.724 0.300 . 1 . . . A 97 TRP CE3 . 25544 1 492 . 1 1 40 40 TRP CZ2 C 13 114.910 0.300 . 1 . . . A 97 TRP CZ2 . 25544 1 493 . 1 1 40 40 TRP CZ3 C 13 121.466 0.300 . 1 . . . A 97 TRP CZ3 . 25544 1 494 . 1 1 40 40 TRP CH2 C 13 124.555 0.300 . 1 . . . A 97 TRP CH2 . 25544 1 495 . 1 1 40 40 TRP N N 15 122.206 0.300 . 1 . . . A 97 TRP N . 25544 1 496 . 1 1 40 40 TRP NE1 N 15 128.949 0.300 . 1 . . . A 97 TRP NE1 . 25544 1 497 . 1 1 41 41 LYS H H 1 9.458 0.030 . 1 . . . A 98 LYS H . 25544 1 498 . 1 1 41 41 LYS HA H 1 4.524 0.030 . 1 . . . A 98 LYS HA . 25544 1 499 . 1 1 41 41 LYS HB2 H 1 2.222 0.030 . 2 . . . A 98 LYS HB2 . 25544 1 500 . 1 1 41 41 LYS HB3 H 1 1.731 0.030 . 2 . . . A 98 LYS HB3 . 25544 1 501 . 1 1 41 41 LYS HG2 H 1 1.605 0.030 . 2 . . . A 98 LYS HG2 . 25544 1 502 . 1 1 41 41 LYS HG3 H 1 1.662 0.030 . 2 . . . A 98 LYS HG3 . 25544 1 503 . 1 1 41 41 LYS HD2 H 1 1.661 0.030 . 2 . . . A 98 LYS HD2 . 25544 1 504 . 1 1 41 41 LYS HD3 H 1 1.768 0.030 . 2 . . . A 98 LYS HD3 . 25544 1 505 . 1 1 41 41 LYS HE2 H 1 3.026 0.030 . 2 . . . A 98 LYS HE2 . 25544 1 506 . 1 1 41 41 LYS HE3 H 1 3.026 0.030 . 2 . . . A 98 LYS HE3 . 25544 1 507 . 1 1 41 41 LYS C C 13 175.094 0.300 . 1 . . . A 98 LYS C . 25544 1 508 . 1 1 41 41 LYS CA C 13 55.568 0.300 . 1 . . . A 98 LYS CA . 25544 1 509 . 1 1 41 41 LYS CB C 13 32.801 0.300 . 1 . . . A 98 LYS CB . 25544 1 510 . 1 1 41 41 LYS CG C 13 25.521 0.300 . 1 . . . A 98 LYS CG . 25544 1 511 . 1 1 41 41 LYS CD C 13 28.827 0.300 . 1 . . . A 98 LYS CD . 25544 1 512 . 1 1 41 41 LYS CE C 13 42.103 0.300 . 1 . . . A 98 LYS CE . 25544 1 513 . 1 1 41 41 LYS N N 15 123.433 0.300 . 1 . . . A 98 LYS N . 25544 1 514 . 1 1 42 42 TYR H H 1 9.380 0.030 . 1 . . . A 99 TYR H . 25544 1 515 . 1 1 42 42 TYR HA H 1 4.084 0.030 . 1 . . . A 99 TYR HA . 25544 1 516 . 1 1 42 42 TYR HB2 H 1 2.911 0.030 . 2 . . . A 99 TYR HB2 . 25544 1 517 . 1 1 42 42 TYR HB3 H 1 3.369 0.030 . 2 . . . A 99 TYR HB3 . 25544 1 518 . 1 1 42 42 TYR HD1 H 1 6.954 0.030 . 3 . . . A 99 TYR HD1 . 25544 1 519 . 1 1 42 42 TYR HD2 H 1 6.954 0.030 . 3 . . . A 99 TYR HD2 . 25544 1 520 . 1 1 42 42 TYR HE1 H 1 6.554 0.030 . 3 . . . A 99 TYR HE1 . 25544 1 521 . 1 1 42 42 TYR HE2 H 1 6.554 0.030 . 3 . . . A 99 TYR HE2 . 25544 1 522 . 1 1 42 42 TYR C C 13 174.531 0.300 . 1 . . . A 99 TYR C . 25544 1 523 . 1 1 42 42 TYR CA C 13 63.279 0.300 . 1 . . . A 99 TYR CA . 25544 1 524 . 1 1 42 42 TYR CB C 13 38.153 0.300 . 1 . . . A 99 TYR CB . 25544 1 525 . 1 1 42 42 TYR CD1 C 13 132.735 0.300 . 3 . . . A 99 TYR CD1 . 25544 1 526 . 1 1 42 42 TYR CD2 C 13 132.735 0.300 . 3 . . . A 99 TYR CD2 . 25544 1 527 . 1 1 42 42 TYR CE1 C 13 117.896 0.300 . 3 . . . A 99 TYR CE1 . 25544 1 528 . 1 1 42 42 TYR CE2 C 13 117.896 0.300 . 3 . . . A 99 TYR CE2 . 25544 1 529 . 1 1 42 42 TYR N N 15 124.960 0.300 . 1 . . . A 99 TYR N . 25544 1 530 . 1 1 43 43 ALA H H 1 8.958 0.030 . 1 . . . A 100 ALA H . 25544 1 531 . 1 1 43 43 ALA HA H 1 3.625 0.030 . 1 . . . A 100 ALA HA . 25544 1 532 . 1 1 43 43 ALA HB1 H 1 1.396 0.030 . 1 . . . A 100 ALA MB . 25544 1 533 . 1 1 43 43 ALA HB2 H 1 1.396 0.030 . 1 . . . A 100 ALA MB . 25544 1 534 . 1 1 43 43 ALA HB3 H 1 1.396 0.030 . 1 . . . A 100 ALA MB . 25544 1 535 . 1 1 43 43 ALA C C 13 176.314 0.300 . 1 . . . A 100 ALA C . 25544 1 536 . 1 1 43 43 ALA CA C 13 55.421 0.300 . 1 . . . A 100 ALA CA . 25544 1 537 . 1 1 43 43 ALA CB C 13 18.611 0.300 . 1 . . . A 100 ALA CB . 25544 1 538 . 1 1 43 43 ALA N N 15 117.751 0.300 . 1 . . . A 100 ALA N . 25544 1 539 . 1 1 44 44 GLU H H 1 6.875 0.030 . 1 . . . A 101 GLU H . 25544 1 540 . 1 1 44 44 GLU HA H 1 4.103 0.030 . 1 . . . A 101 GLU HA . 25544 1 541 . 1 1 44 44 GLU HB2 H 1 2.253 0.030 . 2 . . . A 101 GLU HB2 . 25544 1 542 . 1 1 44 44 GLU HB3 H 1 1.729 0.030 . 2 . . . A 101 GLU HB3 . 25544 1 543 . 1 1 44 44 GLU HG2 H 1 2.002 0.030 . 2 . . . A 101 GLU HG2 . 25544 1 544 . 1 1 44 44 GLU HG3 H 1 2.058 0.030 . 2 . . . A 101 GLU HG3 . 25544 1 545 . 1 1 44 44 GLU C C 13 177.380 0.300 . 1 . . . A 101 GLU C . 25544 1 546 . 1 1 44 44 GLU CA C 13 58.533 0.300 . 1 . . . A 101 GLU CA . 25544 1 547 . 1 1 44 44 GLU CB C 13 29.975 0.300 . 1 . . . A 101 GLU CB . 25544 1 548 . 1 1 44 44 GLU CG C 13 36.909 0.300 . 1 . . . A 101 GLU CG . 25544 1 549 . 1 1 44 44 GLU N N 15 114.616 0.300 . 1 . . . A 101 GLU N . 25544 1 550 . 1 1 45 45 LEU H H 1 7.792 0.030 . 1 . . . A 102 LEU H . 25544 1 551 . 1 1 45 45 LEU HA H 1 4.078 0.030 . 1 . . . A 102 LEU HA . 25544 1 552 . 1 1 45 45 LEU HB2 H 1 1.261 0.030 . 2 . . . A 102 LEU HB2 . 25544 1 553 . 1 1 45 45 LEU HB3 H 1 2.120 0.030 . 2 . . . A 102 LEU HB3 . 25544 1 554 . 1 1 45 45 LEU HG H 1 1.901 0.030 . 1 . . . A 102 LEU HG . 25544 1 555 . 1 1 45 45 LEU HD11 H 1 0.765 0.030 . 2 . . . A 102 LEU MD1 . 25544 1 556 . 1 1 45 45 LEU HD12 H 1 0.765 0.030 . 2 . . . A 102 LEU MD1 . 25544 1 557 . 1 1 45 45 LEU HD13 H 1 0.765 0.030 . 2 . . . A 102 LEU MD1 . 25544 1 558 . 1 1 45 45 LEU HD21 H 1 0.959 0.030 . 2 . . . A 102 LEU MD2 . 25544 1 559 . 1 1 45 45 LEU HD22 H 1 0.959 0.030 . 2 . . . A 102 LEU MD2 . 25544 1 560 . 1 1 45 45 LEU HD23 H 1 0.959 0.030 . 2 . . . A 102 LEU MD2 . 25544 1 561 . 1 1 45 45 LEU C C 13 174.830 0.300 . 1 . . . A 102 LEU C . 25544 1 562 . 1 1 45 45 LEU CA C 13 58.522 0.300 . 1 . . . A 102 LEU CA . 25544 1 563 . 1 1 45 45 LEU CB C 13 42.896 0.300 . 1 . . . A 102 LEU CB . 25544 1 564 . 1 1 45 45 LEU CG C 13 27.176 0.300 . 1 . . . A 102 LEU CG . 25544 1 565 . 1 1 45 45 LEU CD1 C 13 25.646 0.300 . 2 . . . A 102 LEU CD1 . 25544 1 566 . 1 1 45 45 LEU CD2 C 13 25.661 0.300 . 2 . . . A 102 LEU CD2 . 25544 1 567 . 1 1 45 45 LEU N N 15 123.075 0.300 . 1 . . . A 102 LEU N . 25544 1 568 . 1 1 46 46 ARG H H 1 8.492 0.030 . 1 . . . A 103 ARG H . 25544 1 569 . 1 1 46 46 ARG HA H 1 3.540 0.030 . 1 . . . A 103 ARG HA . 25544 1 570 . 1 1 46 46 ARG HB2 H 1 1.593 0.030 . 2 . . . A 103 ARG HB2 . 25544 1 571 . 1 1 46 46 ARG HB3 H 1 1.223 0.030 . 2 . . . A 103 ARG HB3 . 25544 1 572 . 1 1 46 46 ARG HG2 H 1 1.385 0.030 . 2 . . . A 103 ARG HG2 . 25544 1 573 . 1 1 46 46 ARG HG3 H 1 1.607 0.030 . 2 . . . A 103 ARG HG3 . 25544 1 574 . 1 1 46 46 ARG HD2 H 1 3.180 0.030 . 2 . . . A 103 ARG HD2 . 25544 1 575 . 1 1 46 46 ARG HD3 H 1 3.180 0.030 . 2 . . . A 103 ARG HD3 . 25544 1 576 . 1 1 46 46 ARG HE H 1 7.559 0.030 . 1 . . . A 103 ARG HE . 25544 1 577 . 1 1 46 46 ARG C C 13 175.240 0.300 . 1 . . . A 103 ARG C . 25544 1 578 . 1 1 46 46 ARG CA C 13 58.893 0.300 . 1 . . . A 103 ARG CA . 25544 1 579 . 1 1 46 46 ARG CB C 13 29.739 0.300 . 1 . . . A 103 ARG CB . 25544 1 580 . 1 1 46 46 ARG CG C 13 26.353 0.300 . 1 . . . A 103 ARG CG . 25544 1 581 . 1 1 46 46 ARG CD C 13 43.325 0.300 . 1 . . . A 103 ARG CD . 25544 1 582 . 1 1 46 46 ARG N N 15 119.230 0.300 . 1 . . . A 103 ARG N . 25544 1 583 . 1 1 46 46 ARG NE N 15 84.834 0.300 . 1 . . . A 103 ARG NE . 25544 1 584 . 1 1 47 47 ASP H H 1 8.141 0.030 . 1 . . . A 104 ASP H . 25544 1 585 . 1 1 47 47 ASP HA H 1 4.378 0.030 . 1 . . . A 104 ASP HA . 25544 1 586 . 1 1 47 47 ASP HB2 H 1 2.663 0.030 . 2 . . . A 104 ASP HB2 . 25544 1 587 . 1 1 47 47 ASP HB3 H 1 2.650 0.030 . 2 . . . A 104 ASP HB3 . 25544 1 588 . 1 1 47 47 ASP C C 13 176.554 0.300 . 1 . . . A 104 ASP C . 25544 1 589 . 1 1 47 47 ASP CA C 13 57.356 0.300 . 1 . . . A 104 ASP CA . 25544 1 590 . 1 1 47 47 ASP CB C 13 40.042 0.300 . 1 . . . A 104 ASP CB . 25544 1 591 . 1 1 47 47 ASP N N 15 117.770 0.300 . 1 . . . A 104 ASP N . 25544 1 592 . 1 1 48 48 THR H H 1 7.832 0.030 . 1 . . . A 105 THR H . 25544 1 593 . 1 1 48 48 THR HA H 1 3.822 0.030 . 1 . . . A 105 THR HA . 25544 1 594 . 1 1 48 48 THR HB H 1 4.492 0.030 . 1 . . . A 105 THR HB . 25544 1 595 . 1 1 48 48 THR HG21 H 1 1.121 0.030 . 1 . . . A 105 THR MG . 25544 1 596 . 1 1 48 48 THR HG22 H 1 1.121 0.030 . 1 . . . A 105 THR MG . 25544 1 597 . 1 1 48 48 THR HG23 H 1 1.121 0.030 . 1 . . . A 105 THR MG . 25544 1 598 . 1 1 48 48 THR C C 13 173.365 0.300 . 1 . . . A 105 THR C . 25544 1 599 . 1 1 48 48 THR CA C 13 67.884 0.300 . 1 . . . A 105 THR CA . 25544 1 600 . 1 1 48 48 THR CB C 13 68.218 0.300 . 1 . . . A 105 THR CB . 25544 1 601 . 1 1 48 48 THR CG2 C 13 22.446 0.300 . 1 . . . A 105 THR CG2 . 25544 1 602 . 1 1 48 48 THR N N 15 118.387 0.300 . 1 . . . A 105 THR N . 25544 1 603 . 1 1 49 49 ILE H H 1 8.207 0.030 . 1 . . . A 106 ILE H . 25544 1 604 . 1 1 49 49 ILE HA H 1 3.692 0.030 . 1 . . . A 106 ILE HA . 25544 1 605 . 1 1 49 49 ILE HB H 1 1.560 0.030 . 1 . . . A 106 ILE HB . 25544 1 606 . 1 1 49 49 ILE HG12 H 1 1.342 0.030 . 2 . . . A 106 ILE HG12 . 25544 1 607 . 1 1 49 49 ILE HG13 H 1 0.933 0.030 . 2 . . . A 106 ILE HG13 . 25544 1 608 . 1 1 49 49 ILE HG21 H 1 0.495 0.030 . 1 . . . A 106 ILE MG . 25544 1 609 . 1 1 49 49 ILE HG22 H 1 0.495 0.030 . 1 . . . A 106 ILE MG . 25544 1 610 . 1 1 49 49 ILE HG23 H 1 0.495 0.030 . 1 . . . A 106 ILE MG . 25544 1 611 . 1 1 49 49 ILE HD11 H 1 0.232 0.030 . 1 . . . A 106 ILE MD . 25544 1 612 . 1 1 49 49 ILE HD12 H 1 0.232 0.030 . 1 . . . A 106 ILE MD . 25544 1 613 . 1 1 49 49 ILE HD13 H 1 0.232 0.030 . 1 . . . A 106 ILE MD . 25544 1 614 . 1 1 49 49 ILE C C 13 174.485 0.300 . 1 . . . A 106 ILE C . 25544 1 615 . 1 1 49 49 ILE CA C 13 64.081 0.300 . 1 . . . A 106 ILE CA . 25544 1 616 . 1 1 49 49 ILE CB C 13 37.226 0.300 . 1 . . . A 106 ILE CB . 25544 1 617 . 1 1 49 49 ILE CG1 C 13 29.139 0.300 . 1 . . . A 106 ILE CG1 . 25544 1 618 . 1 1 49 49 ILE CG2 C 13 17.678 0.300 . 1 . . . A 106 ILE CG2 . 25544 1 619 . 1 1 49 49 ILE CD1 C 13 13.836 0.300 . 1 . . . A 106 ILE CD1 . 25544 1 620 . 1 1 49 49 ILE N N 15 121.682 0.300 . 1 . . . A 106 ILE N . 25544 1 621 . 1 1 50 50 ASN H H 1 7.629 0.030 . 1 . . . A 107 ASN H . 25544 1 622 . 1 1 50 50 ASN HA H 1 4.719 0.030 . 1 . . . A 107 ASN HA . 25544 1 623 . 1 1 50 50 ASN HB2 H 1 2.865 0.030 . 2 . . . A 107 ASN HB2 . 25544 1 624 . 1 1 50 50 ASN HB3 H 1 2.900 0.030 . 2 . . . A 107 ASN HB3 . 25544 1 625 . 1 1 50 50 ASN HD21 H 1 7.669 0.030 . 2 . . . A 107 ASN HD21 . 25544 1 626 . 1 1 50 50 ASN HD22 H 1 6.862 0.030 . 2 . . . A 107 ASN HD22 . 25544 1 627 . 1 1 50 50 ASN C C 13 173.902 0.300 . 1 . . . A 107 ASN C . 25544 1 628 . 1 1 50 50 ASN CA C 13 54.430 0.300 . 1 . . . A 107 ASN CA . 25544 1 629 . 1 1 50 50 ASN CB C 13 39.681 0.300 . 1 . . . A 107 ASN CB . 25544 1 630 . 1 1 50 50 ASN N N 15 115.937 0.300 . 1 . . . A 107 ASN N . 25544 1 631 . 1 1 50 50 ASN ND2 N 15 111.507 0.300 . 1 . . . A 107 ASN ND2 . 25544 1 632 . 1 1 51 51 THR H H 1 7.587 0.030 . 1 . . . A 108 THR H . 25544 1 633 . 1 1 51 51 THR HA H 1 4.618 0.030 . 1 . . . A 108 THR HA . 25544 1 634 . 1 1 51 51 THR HB H 1 4.143 0.030 . 1 . . . A 108 THR HB . 25544 1 635 . 1 1 51 51 THR HG21 H 1 1.182 0.030 . 1 . . . A 108 THR MG . 25544 1 636 . 1 1 51 51 THR HG22 H 1 1.182 0.030 . 1 . . . A 108 THR MG . 25544 1 637 . 1 1 51 51 THR HG23 H 1 1.182 0.030 . 1 . . . A 108 THR MG . 25544 1 638 . 1 1 51 51 THR C C 13 172.290 0.300 . 1 . . . A 108 THR C . 25544 1 639 . 1 1 51 51 THR CA C 13 62.663 0.300 . 1 . . . A 108 THR CA . 25544 1 640 . 1 1 51 51 THR CB C 13 72.277 0.300 . 1 . . . A 108 THR CB . 25544 1 641 . 1 1 51 51 THR CG2 C 13 21.354 0.300 . 1 . . . A 108 THR CG2 . 25544 1 642 . 1 1 51 51 THR N N 15 108.280 0.300 . 1 . . . A 108 THR N . 25544 1 643 . 1 1 52 52 SER H H 1 8.709 0.030 . 1 . . . A 109 SER H . 25544 1 644 . 1 1 52 52 SER HA H 1 4.304 0.030 . 1 . . . A 109 SER HA . 25544 1 645 . 1 1 52 52 SER HB2 H 1 3.614 0.030 . 2 . . . A 109 SER HB2 . 25544 1 646 . 1 1 52 52 SER HB3 H 1 4.105 0.030 . 2 . . . A 109 SER HB3 . 25544 1 647 . 1 1 52 52 SER C C 13 172.473 0.300 . 1 . . . A 109 SER C . 25544 1 648 . 1 1 52 52 SER CA C 13 59.570 0.300 . 1 . . . A 109 SER CA . 25544 1 649 . 1 1 52 52 SER CB C 13 64.522 0.300 . 1 . . . A 109 SER CB . 25544 1 650 . 1 1 52 52 SER N N 15 117.967 0.300 . 1 . . . A 109 SER N . 25544 1 651 . 1 1 53 53 CYS H H 1 8.760 0.030 . 1 . . . A 110 CYS H . 25544 1 652 . 1 1 53 53 CYS HA H 1 4.796 0.030 . 1 . . . A 110 CYS HA . 25544 1 653 . 1 1 53 53 CYS HB2 H 1 2.940 0.030 . 2 . . . A 110 CYS HB2 . 25544 1 654 . 1 1 53 53 CYS HB3 H 1 3.020 0.030 . 2 . . . A 110 CYS HB3 . 25544 1 655 . 1 1 53 53 CYS C C 13 170.861 0.300 . 1 . . . A 110 CYS C . 25544 1 656 . 1 1 53 53 CYS CA C 13 57.329 0.300 . 1 . . . A 110 CYS CA . 25544 1 657 . 1 1 53 53 CYS CB C 13 28.379 0.300 . 1 . . . A 110 CYS CB . 25544 1 658 . 1 1 53 53 CYS N N 15 121.621 0.300 . 1 . . . A 110 CYS N . 25544 1 659 . 1 1 54 54 ASP H H 1 8.559 0.030 . 1 . . . A 111 ASP H . 25544 1 660 . 1 1 54 54 ASP HA H 1 4.613 0.030 . 1 . . . A 111 ASP HA . 25544 1 661 . 1 1 54 54 ASP HB2 H 1 2.468 0.030 . 2 . . . A 111 ASP HB2 . 25544 1 662 . 1 1 54 54 ASP HB3 H 1 2.988 0.030 . 2 . . . A 111 ASP HB3 . 25544 1 663 . 1 1 54 54 ASP C C 13 172.541 0.300 . 1 . . . A 111 ASP C . 25544 1 664 . 1 1 54 54 ASP CA C 13 53.278 0.300 . 1 . . . A 111 ASP CA . 25544 1 665 . 1 1 54 54 ASP CB C 13 41.137 0.300 . 1 . . . A 111 ASP CB . 25544 1 666 . 1 1 54 54 ASP N N 15 124.490 0.300 . 1 . . . A 111 ASP N . 25544 1 667 . 1 1 55 55 ILE H H 1 8.512 0.030 . 1 . . . A 112 ILE H . 25544 1 668 . 1 1 55 55 ILE HA H 1 3.719 0.030 . 1 . . . A 112 ILE HA . 25544 1 669 . 1 1 55 55 ILE HB H 1 1.947 0.030 . 1 . . . A 112 ILE HB . 25544 1 670 . 1 1 55 55 ILE HG12 H 1 1.584 0.030 . 2 . . . A 112 ILE HG12 . 25544 1 671 . 1 1 55 55 ILE HG13 H 1 1.367 0.030 . 2 . . . A 112 ILE HG13 . 25544 1 672 . 1 1 55 55 ILE HG21 H 1 0.982 0.030 . 1 . . . A 112 ILE MG . 25544 1 673 . 1 1 55 55 ILE HG22 H 1 0.982 0.030 . 1 . . . A 112 ILE MG . 25544 1 674 . 1 1 55 55 ILE HG23 H 1 0.982 0.030 . 1 . . . A 112 ILE MG . 25544 1 675 . 1 1 55 55 ILE HD11 H 1 0.885 0.030 . 1 . . . A 112 ILE MD . 25544 1 676 . 1 1 55 55 ILE HD12 H 1 0.885 0.030 . 1 . . . A 112 ILE MD . 25544 1 677 . 1 1 55 55 ILE HD13 H 1 0.885 0.030 . 1 . . . A 112 ILE MD . 25544 1 678 . 1 1 55 55 ILE C C 13 175.743 0.300 . 1 . . . A 112 ILE C . 25544 1 679 . 1 1 55 55 ILE CA C 13 64.680 0.300 . 1 . . . A 112 ILE CA . 25544 1 680 . 1 1 55 55 ILE CB C 13 37.867 0.300 . 1 . . . A 112 ILE CB . 25544 1 681 . 1 1 55 55 ILE CG1 C 13 27.733 0.300 . 1 . . . A 112 ILE CG1 . 25544 1 682 . 1 1 55 55 ILE CG2 C 13 17.721 0.300 . 1 . . . A 112 ILE CG2 . 25544 1 683 . 1 1 55 55 ILE CD1 C 13 12.983 0.300 . 1 . . . A 112 ILE CD1 . 25544 1 684 . 1 1 55 55 ILE N N 15 125.460 0.300 . 1 . . . A 112 ILE N . 25544 1 685 . 1 1 56 56 GLU H H 1 8.172 0.030 . 1 . . . A 113 GLU H . 25544 1 686 . 1 1 56 56 GLU HA H 1 4.148 0.030 . 1 . . . A 113 GLU HA . 25544 1 687 . 1 1 56 56 GLU HB2 H 1 2.190 0.030 . 2 . . . A 113 GLU HB2 . 25544 1 688 . 1 1 56 56 GLU HB3 H 1 2.300 0.030 . 2 . . . A 113 GLU HB3 . 25544 1 689 . 1 1 56 56 GLU HG2 H 1 2.309 0.030 . 2 . . . A 113 GLU HG2 . 25544 1 690 . 1 1 56 56 GLU HG3 H 1 2.427 0.030 . 2 . . . A 113 GLU HG3 . 25544 1 691 . 1 1 56 56 GLU C C 13 176.406 0.300 . 1 . . . A 113 GLU C . 25544 1 692 . 1 1 56 56 GLU CA C 13 59.382 0.300 . 1 . . . A 113 GLU CA . 25544 1 693 . 1 1 56 56 GLU CB C 13 29.675 0.300 . 1 . . . A 113 GLU CB . 25544 1 694 . 1 1 56 56 GLU CG C 13 37.331 0.300 . 1 . . . A 113 GLU CG . 25544 1 695 . 1 1 56 56 GLU N N 15 121.097 0.300 . 1 . . . A 113 GLU N . 25544 1 696 . 1 1 57 57 LEU H H 1 7.801 0.030 . 1 . . . A 114 LEU H . 25544 1 697 . 1 1 57 57 LEU HA H 1 3.609 0.030 . 1 . . . A 114 LEU HA . 25544 1 698 . 1 1 57 57 LEU HB2 H 1 1.118 0.030 . 2 . . . A 114 LEU HB2 . 25544 1 699 . 1 1 57 57 LEU HB3 H 1 1.761 0.030 . 2 . . . A 114 LEU HB3 . 25544 1 700 . 1 1 57 57 LEU HG H 1 1.067 0.030 . 1 . . . A 114 LEU HG . 25544 1 701 . 1 1 57 57 LEU HD11 H 1 0.867 0.030 . 2 . . . A 114 LEU MD1 . 25544 1 702 . 1 1 57 57 LEU HD12 H 1 0.867 0.030 . 2 . . . A 114 LEU MD1 . 25544 1 703 . 1 1 57 57 LEU HD13 H 1 0.867 0.030 . 2 . . . A 114 LEU MD1 . 25544 1 704 . 1 1 57 57 LEU HD21 H 1 0.244 0.030 . 2 . . . A 114 LEU MD2 . 25544 1 705 . 1 1 57 57 LEU HD22 H 1 0.244 0.030 . 2 . . . A 114 LEU MD2 . 25544 1 706 . 1 1 57 57 LEU HD23 H 1 0.244 0.030 . 2 . . . A 114 LEU MD2 . 25544 1 707 . 1 1 57 57 LEU C C 13 176.399 0.300 . 1 . . . A 114 LEU C . 25544 1 708 . 1 1 57 57 LEU CA C 13 56.982 0.300 . 1 . . . A 114 LEU CA . 25544 1 709 . 1 1 57 57 LEU CB C 13 40.789 0.300 . 1 . . . A 114 LEU CB . 25544 1 710 . 1 1 57 57 LEU CG C 13 27.088 0.300 . 1 . . . A 114 LEU CG . 25544 1 711 . 1 1 57 57 LEU CD1 C 13 26.227 0.300 . 2 . . . A 114 LEU CD1 . 25544 1 712 . 1 1 57 57 LEU CD2 C 13 21.626 0.300 . 2 . . . A 114 LEU CD2 . 25544 1 713 . 1 1 57 57 LEU N N 15 125.184 0.300 . 1 . . . A 114 LEU N . 25544 1 714 . 1 1 58 58 LEU H H 1 8.729 0.030 . 1 . . . A 115 LEU H . 25544 1 715 . 1 1 58 58 LEU HA H 1 3.704 0.030 . 1 . . . A 115 LEU HA . 25544 1 716 . 1 1 58 58 LEU HB2 H 1 1.298 0.030 . 2 . . . A 115 LEU HB2 . 25544 1 717 . 1 1 58 58 LEU HB3 H 1 1.841 0.030 . 2 . . . A 115 LEU HB3 . 25544 1 718 . 1 1 58 58 LEU HG H 1 1.611 0.030 . 1 . . . A 115 LEU HG . 25544 1 719 . 1 1 58 58 LEU HD11 H 1 0.786 0.030 . 2 . . . A 115 LEU MD1 . 25544 1 720 . 1 1 58 58 LEU HD12 H 1 0.786 0.030 . 2 . . . A 115 LEU MD1 . 25544 1 721 . 1 1 58 58 LEU HD13 H 1 0.786 0.030 . 2 . . . A 115 LEU MD1 . 25544 1 722 . 1 1 58 58 LEU HD21 H 1 0.893 0.030 . 2 . . . A 115 LEU MD2 . 25544 1 723 . 1 1 58 58 LEU HD22 H 1 0.893 0.030 . 2 . . . A 115 LEU MD2 . 25544 1 724 . 1 1 58 58 LEU HD23 H 1 0.893 0.030 . 2 . . . A 115 LEU MD2 . 25544 1 725 . 1 1 58 58 LEU C C 13 176.280 0.300 . 1 . . . A 115 LEU C . 25544 1 726 . 1 1 58 58 LEU CA C 13 58.654 0.300 . 1 . . . A 115 LEU CA . 25544 1 727 . 1 1 58 58 LEU CB C 13 41.959 0.300 . 1 . . . A 115 LEU CB . 25544 1 728 . 1 1 58 58 LEU CG C 13 26.797 0.300 . 1 . . . A 115 LEU CG . 25544 1 729 . 1 1 58 58 LEU CD1 C 13 24.883 0.300 . 2 . . . A 115 LEU CD1 . 25544 1 730 . 1 1 58 58 LEU CD2 C 13 24.364 0.300 . 2 . . . A 115 LEU CD2 . 25544 1 731 . 1 1 58 58 LEU N N 15 120.703 0.300 . 1 . . . A 115 LEU N . 25544 1 732 . 1 1 59 59 ALA H H 1 7.796 0.030 . 1 . . . A 116 ALA H . 25544 1 733 . 1 1 59 59 ALA HA H 1 4.021 0.030 . 1 . . . A 116 ALA HA . 25544 1 734 . 1 1 59 59 ALA HB1 H 1 1.499 0.030 . 1 . . . A 116 ALA MB . 25544 1 735 . 1 1 59 59 ALA HB2 H 1 1.499 0.030 . 1 . . . A 116 ALA MB . 25544 1 736 . 1 1 59 59 ALA HB3 H 1 1.499 0.030 . 1 . . . A 116 ALA MB . 25544 1 737 . 1 1 59 59 ALA C C 13 177.606 0.300 . 1 . . . A 116 ALA C . 25544 1 738 . 1 1 59 59 ALA CA C 13 55.241 0.300 . 1 . . . A 116 ALA CA . 25544 1 739 . 1 1 59 59 ALA CB C 13 17.751 0.300 . 1 . . . A 116 ALA CB . 25544 1 740 . 1 1 59 59 ALA N N 15 120.894 0.300 . 1 . . . A 116 ALA N . 25544 1 741 . 1 1 60 60 ALA H H 1 7.755 0.030 . 1 . . . A 117 ALA H . 25544 1 742 . 1 1 60 60 ALA HA H 1 4.133 0.030 . 1 . . . A 117 ALA HA . 25544 1 743 . 1 1 60 60 ALA HB1 H 1 1.336 0.030 . 1 . . . A 117 ALA MB . 25544 1 744 . 1 1 60 60 ALA HB2 H 1 1.336 0.030 . 1 . . . A 117 ALA MB . 25544 1 745 . 1 1 60 60 ALA HB3 H 1 1.336 0.030 . 1 . . . A 117 ALA MB . 25544 1 746 . 1 1 60 60 ALA C C 13 178.452 0.300 . 1 . . . A 117 ALA C . 25544 1 747 . 1 1 60 60 ALA CA C 13 54.855 0.300 . 1 . . . A 117 ALA CA . 25544 1 748 . 1 1 60 60 ALA CB C 13 17.971 0.300 . 1 . . . A 117 ALA CB . 25544 1 749 . 1 1 60 60 ALA N N 15 122.422 0.300 . 1 . . . A 117 ALA N . 25544 1 750 . 1 1 61 61 CYS H H 1 8.473 0.030 . 1 . . . A 118 CYS H . 25544 1 751 . 1 1 61 61 CYS HA H 1 3.509 0.030 . 1 . . . A 118 CYS HA . 25544 1 752 . 1 1 61 61 CYS HB2 H 1 1.824 0.030 . 2 . . . A 118 CYS HB2 . 25544 1 753 . 1 1 61 61 CYS HB3 H 1 3.006 0.030 . 2 . . . A 118 CYS HB3 . 25544 1 754 . 1 1 61 61 CYS C C 13 173.860 0.300 . 1 . . . A 118 CYS C . 25544 1 755 . 1 1 61 61 CYS CA C 13 63.837 0.300 . 1 . . . A 118 CYS CA . 25544 1 756 . 1 1 61 61 CYS CB C 13 26.684 0.300 . 1 . . . A 118 CYS CB . 25544 1 757 . 1 1 61 61 CYS N N 15 120.063 0.300 . 1 . . . A 118 CYS N . 25544 1 758 . 1 1 62 62 ARG H H 1 7.869 0.030 . 1 . . . A 119 ARG H . 25544 1 759 . 1 1 62 62 ARG HA H 1 3.720 0.030 . 1 . . . A 119 ARG HA . 25544 1 760 . 1 1 62 62 ARG HB2 H 1 1.362 0.030 . 2 . . . A 119 ARG HB2 . 25544 1 761 . 1 1 62 62 ARG HB3 H 1 1.868 0.030 . 2 . . . A 119 ARG HB3 . 25544 1 762 . 1 1 62 62 ARG HG2 H 1 1.362 0.030 . 2 . . . A 119 ARG HG2 . 25544 1 763 . 1 1 62 62 ARG HG3 H 1 1.667 0.030 . 2 . . . A 119 ARG HG3 . 25544 1 764 . 1 1 62 62 ARG HD2 H 1 3.260 0.030 . 2 . . . A 119 ARG HD2 . 25544 1 765 . 1 1 62 62 ARG HD3 H 1 3.260 0.030 . 2 . . . A 119 ARG HD3 . 25544 1 766 . 1 1 62 62 ARG HE H 1 7.628 0.030 . 1 . . . A 119 ARG HE . 25544 1 767 . 1 1 62 62 ARG C C 13 176.108 0.300 . 1 . . . A 119 ARG C . 25544 1 768 . 1 1 62 62 ARG CA C 13 60.861 0.300 . 1 . . . A 119 ARG CA . 25544 1 769 . 1 1 62 62 ARG CB C 13 29.666 0.300 . 1 . . . A 119 ARG CB . 25544 1 770 . 1 1 62 62 ARG CG C 13 29.602 0.300 . 1 . . . A 119 ARG CG . 25544 1 771 . 1 1 62 62 ARG CD C 13 43.172 0.300 . 1 . . . A 119 ARG CD . 25544 1 772 . 1 1 62 62 ARG N N 15 118.756 0.300 . 1 . . . A 119 ARG N . 25544 1 773 . 1 1 62 62 ARG NE N 15 84.163 0.300 . 1 . . . A 119 ARG NE . 25544 1 774 . 1 1 63 63 GLU H H 1 8.013 0.030 . 1 . . . A 120 GLU H . 25544 1 775 . 1 1 63 63 GLU HA H 1 4.145 0.030 . 1 . . . A 120 GLU HA . 25544 1 776 . 1 1 63 63 GLU HB2 H 1 2.130 0.030 . 2 . . . A 120 GLU HB2 . 25544 1 777 . 1 1 63 63 GLU HB3 H 1 2.130 0.030 . 2 . . . A 120 GLU HB3 . 25544 1 778 . 1 1 63 63 GLU HG2 H 1 2.323 0.030 . 2 . . . A 120 GLU HG2 . 25544 1 779 . 1 1 63 63 GLU HG3 H 1 2.411 0.030 . 2 . . . A 120 GLU HG3 . 25544 1 780 . 1 1 63 63 GLU C C 13 171.786 0.300 . 1 . . . A 120 GLU C . 25544 1 781 . 1 1 63 63 GLU CA C 13 59.543 0.300 . 1 . . . A 120 GLU CA . 25544 1 782 . 1 1 63 63 GLU CB C 13 29.277 0.300 . 1 . . . A 120 GLU CB . 25544 1 783 . 1 1 63 63 GLU CG C 13 36.173 0.300 . 1 . . . A 120 GLU CG . 25544 1 784 . 1 1 63 63 GLU N N 15 118.864 0.300 . 1 . . . A 120 GLU N . 25544 1 785 . 1 1 64 64 GLU H H 1 8.044 0.030 . 1 . . . A 121 GLU H . 25544 1 786 . 1 1 64 64 GLU HA H 1 4.471 0.030 . 1 . . . A 121 GLU HA . 25544 1 787 . 1 1 64 64 GLU HB2 H 1 1.842 0.030 . 2 . . . A 121 GLU HB2 . 25544 1 788 . 1 1 64 64 GLU HB3 H 1 1.959 0.030 . 2 . . . A 121 GLU HB3 . 25544 1 789 . 1 1 64 64 GLU HG2 H 1 1.995 0.030 . 2 . . . A 121 GLU HG2 . 25544 1 790 . 1 1 64 64 GLU HG3 H 1 2.227 0.030 . 2 . . . A 121 GLU HG3 . 25544 1 791 . 1 1 64 64 GLU C C 13 173.408 0.300 . 1 . . . A 121 GLU C . 25544 1 792 . 1 1 64 64 GLU CA C 13 58.078 0.300 . 1 . . . A 121 GLU CA . 25544 1 793 . 1 1 64 64 GLU CB C 13 28.215 0.300 . 1 . . . A 121 GLU CB . 25544 1 794 . 1 1 64 64 GLU CG C 13 34.781 0.300 . 1 . . . A 121 GLU CG . 25544 1 795 . 1 1 64 64 GLU N N 15 121.820 0.300 . 1 . . . A 121 GLU N . 25544 1 796 . 1 1 65 65 PHE H H 1 8.534 0.030 . 1 . . . A 122 PHE H . 25544 1 797 . 1 1 65 65 PHE HA H 1 4.835 0.030 . 1 . . . A 122 PHE HA . 25544 1 798 . 1 1 65 65 PHE HB2 H 1 3.055 0.030 . 2 . . . A 122 PHE HB2 . 25544 1 799 . 1 1 65 65 PHE HB3 H 1 3.618 0.030 . 2 . . . A 122 PHE HB3 . 25544 1 800 . 1 1 65 65 PHE HD1 H 1 7.109 0.030 . 3 . . . A 122 PHE HD1 . 25544 1 801 . 1 1 65 65 PHE HD2 H 1 7.109 0.030 . 3 . . . A 122 PHE HD2 . 25544 1 802 . 1 1 65 65 PHE HE1 H 1 7.020 0.030 . 3 . . . A 122 PHE HE1 . 25544 1 803 . 1 1 65 65 PHE HE2 H 1 7.020 0.030 . 3 . . . A 122 PHE HE2 . 25544 1 804 . 1 1 65 65 PHE HZ H 1 6.578 0.030 . 1 . . . A 122 PHE HZ . 25544 1 805 . 1 1 65 65 PHE C C 13 175.299 0.300 . 1 . . . A 122 PHE C . 25544 1 806 . 1 1 65 65 PHE CA C 13 61.549 0.300 . 1 . . . A 122 PHE CA . 25544 1 807 . 1 1 65 65 PHE CB C 13 37.173 0.300 . 1 . . . A 122 PHE CB . 25544 1 808 . 1 1 65 65 PHE CD1 C 13 129.082 0.300 . 3 . . . A 122 PHE CD1 . 25544 1 809 . 1 1 65 65 PHE CD2 C 13 129.082 0.300 . 3 . . . A 122 PHE CD2 . 25544 1 810 . 1 1 65 65 PHE CE1 C 13 131.496 0.300 . 3 . . . A 122 PHE CE1 . 25544 1 811 . 1 1 65 65 PHE CE2 C 13 131.496 0.300 . 3 . . . A 122 PHE CE2 . 25544 1 812 . 1 1 65 65 PHE CZ C 13 128.900 0.300 . 1 . . . A 122 PHE CZ . 25544 1 813 . 1 1 65 65 PHE N N 15 120.195 0.300 . 1 . . . A 122 PHE N . 25544 1 814 . 1 1 66 66 HIS H H 1 8.470 0.030 . 1 . . . A 123 HIS H . 25544 1 815 . 1 1 66 66 HIS HA H 1 4.217 0.030 . 1 . . . A 123 HIS HA . 25544 1 816 . 1 1 66 66 HIS HB2 H 1 3.324 0.030 . 2 . . . A 123 HIS HB2 . 25544 1 817 . 1 1 66 66 HIS HB3 H 1 3.324 0.030 . 2 . . . A 123 HIS HB3 . 25544 1 818 . 1 1 66 66 HIS HD2 H 1 7.107 0.030 . 1 . . . A 123 HIS HD2 . 25544 1 819 . 1 1 66 66 HIS HE1 H 1 7.951 0.030 . 1 . . . A 123 HIS HE1 . 25544 1 820 . 1 1 66 66 HIS C C 13 174.771 0.300 . 1 . . . A 123 HIS C . 25544 1 821 . 1 1 66 66 HIS CA C 13 60.861 0.300 . 1 . . . A 123 HIS CA . 25544 1 822 . 1 1 66 66 HIS CB C 13 30.102 0.300 . 1 . . . A 123 HIS CB . 25544 1 823 . 1 1 66 66 HIS CD2 C 13 120.231 0.300 . 1 . . . A 123 HIS CD2 . 25544 1 824 . 1 1 66 66 HIS CE1 C 13 138.037 0.300 . 1 . . . A 123 HIS CE1 . 25544 1 825 . 1 1 66 66 HIS N N 15 118.719 0.300 . 1 . . . A 123 HIS N . 25544 1 826 . 1 1 67 67 ARG H H 1 8.301 0.030 . 1 . . . A 124 ARG H . 25544 1 827 . 1 1 67 67 ARG HA H 1 3.992 0.030 . 1 . . . A 124 ARG HA . 25544 1 828 . 1 1 67 67 ARG HB2 H 1 2.047 0.030 . 2 . . . A 124 ARG HB2 . 25544 1 829 . 1 1 67 67 ARG HB3 H 1 2.071 0.030 . 2 . . . A 124 ARG HB3 . 25544 1 830 . 1 1 67 67 ARG HG2 H 1 1.561 0.030 . 2 . . . A 124 ARG HG2 . 25544 1 831 . 1 1 67 67 ARG HG3 H 1 1.782 0.030 . 2 . . . A 124 ARG HG3 . 25544 1 832 . 1 1 67 67 ARG HD2 H 1 3.361 0.030 . 2 . . . A 124 ARG HD2 . 25544 1 833 . 1 1 67 67 ARG HD3 H 1 3.131 0.030 . 2 . . . A 124 ARG HD3 . 25544 1 834 . 1 1 67 67 ARG HE H 1 8.070 0.030 . 1 . . . A 124 ARG HE . 25544 1 835 . 1 1 67 67 ARG C C 13 176.310 0.300 . 1 . . . A 124 ARG C . 25544 1 836 . 1 1 67 67 ARG CA C 13 60.153 0.300 . 1 . . . A 124 ARG CA . 25544 1 837 . 1 1 67 67 ARG CB C 13 30.640 0.300 . 1 . . . A 124 ARG CB . 25544 1 838 . 1 1 67 67 ARG CG C 13 27.581 0.300 . 1 . . . A 124 ARG CG . 25544 1 839 . 1 1 67 67 ARG CD C 13 42.937 0.300 . 1 . . . A 124 ARG CD . 25544 1 840 . 1 1 67 67 ARG N N 15 120.407 0.300 . 1 . . . A 124 ARG N . 25544 1 841 . 1 1 67 67 ARG NE N 15 82.787 0.300 . 1 . . . A 124 ARG NE . 25544 1 842 . 1 1 68 68 ARG H H 1 8.762 0.030 . 1 . . . A 125 ARG H . 25544 1 843 . 1 1 68 68 ARG HA H 1 3.981 0.030 . 1 . . . A 125 ARG HA . 25544 1 844 . 1 1 68 68 ARG HB2 H 1 2.001 0.030 . 2 . . . A 125 ARG HB2 . 25544 1 845 . 1 1 68 68 ARG HB3 H 1 2.149 0.030 . 2 . . . A 125 ARG HB3 . 25544 1 846 . 1 1 68 68 ARG HG2 H 1 1.671 0.030 . 2 . . . A 125 ARG HG2 . 25544 1 847 . 1 1 68 68 ARG HG3 H 1 1.785 0.030 . 2 . . . A 125 ARG HG3 . 25544 1 848 . 1 1 68 68 ARG HD2 H 1 2.817 0.030 . 2 . . . A 125 ARG HD2 . 25544 1 849 . 1 1 68 68 ARG HD3 H 1 3.475 0.030 . 2 . . . A 125 ARG HD3 . 25544 1 850 . 1 1 68 68 ARG HE H 1 9.587 0.030 . 1 . . . A 125 ARG HE . 25544 1 851 . 1 1 68 68 ARG C C 13 176.046 0.300 . 1 . . . A 125 ARG C . 25544 1 852 . 1 1 68 68 ARG CA C 13 60.250 0.300 . 1 . . . A 125 ARG CA . 25544 1 853 . 1 1 68 68 ARG CB C 13 29.256 0.300 . 1 . . . A 125 ARG CB . 25544 1 854 . 1 1 68 68 ARG CG C 13 29.180 0.300 . 1 . . . A 125 ARG CG . 25544 1 855 . 1 1 68 68 ARG CD C 13 43.470 0.300 . 1 . . . A 125 ARG CD . 25544 1 856 . 1 1 68 68 ARG N N 15 118.503 0.300 . 1 . . . A 125 ARG N . 25544 1 857 . 1 1 68 68 ARG NE N 15 88.008 0.300 . 1 . . . A 125 ARG NE . 25544 1 858 . 1 1 69 69 LEU H H 1 8.923 0.030 . 1 . . . A 126 LEU H . 25544 1 859 . 1 1 69 69 LEU HA H 1 4.065 0.030 . 1 . . . A 126 LEU HA . 25544 1 860 . 1 1 69 69 LEU HB2 H 1 1.607 0.030 . 2 . . . A 126 LEU HB2 . 25544 1 861 . 1 1 69 69 LEU HB3 H 1 1.930 0.030 . 2 . . . A 126 LEU HB3 . 25544 1 862 . 1 1 69 69 LEU HG H 1 1.689 0.030 . 1 . . . A 126 LEU HG . 25544 1 863 . 1 1 69 69 LEU HD11 H 1 0.808 0.030 . 2 . . . A 126 LEU MD1 . 25544 1 864 . 1 1 69 69 LEU HD12 H 1 0.808 0.030 . 2 . . . A 126 LEU MD1 . 25544 1 865 . 1 1 69 69 LEU HD13 H 1 0.808 0.030 . 2 . . . A 126 LEU MD1 . 25544 1 866 . 1 1 69 69 LEU HD21 H 1 0.913 0.030 . 2 . . . A 126 LEU MD2 . 25544 1 867 . 1 1 69 69 LEU HD22 H 1 0.913 0.030 . 2 . . . A 126 LEU MD2 . 25544 1 868 . 1 1 69 69 LEU HD23 H 1 0.913 0.030 . 2 . . . A 126 LEU MD2 . 25544 1 869 . 1 1 69 69 LEU CA C 13 57.972 0.300 . 1 . . . A 126 LEU CA . 25544 1 870 . 1 1 69 69 LEU CB C 13 41.972 0.300 . 1 . . . A 126 LEU CB . 25544 1 871 . 1 1 69 69 LEU CG C 13 27.104 0.300 . 1 . . . A 126 LEU CG . 25544 1 872 . 1 1 69 69 LEU CD1 C 13 25.327 0.300 . 2 . . . A 126 LEU CD1 . 25544 1 873 . 1 1 69 69 LEU CD2 C 13 24.309 0.300 . 2 . . . A 126 LEU CD2 . 25544 1 874 . 1 1 69 69 LEU N N 15 123.162 0.300 . 1 . . . A 126 LEU N . 25544 1 875 . 1 1 70 70 LYS H H 1 7.870 0.030 . 1 . . . A 127 LYS H . 25544 1 876 . 1 1 70 70 LYS HA H 1 4.141 0.030 . 1 . . . A 127 LYS HA . 25544 1 877 . 1 1 70 70 LYS HB2 H 1 1.992 0.030 . 2 . . . A 127 LYS HB2 . 25544 1 878 . 1 1 70 70 LYS HB3 H 1 1.992 0.030 . 2 . . . A 127 LYS HB3 . 25544 1 879 . 1 1 70 70 LYS HG2 H 1 1.600 0.030 . 2 . . . A 127 LYS HG2 . 25544 1 880 . 1 1 70 70 LYS HG3 H 1 1.434 0.030 . 2 . . . A 127 LYS HG3 . 25544 1 881 . 1 1 70 70 LYS HD2 H 1 1.673 0.030 . 2 . . . A 127 LYS HD2 . 25544 1 882 . 1 1 70 70 LYS HD3 H 1 1.673 0.030 . 2 . . . A 127 LYS HD3 . 25544 1 883 . 1 1 70 70 LYS HE2 H 1 2.940 0.030 . 2 . . . A 127 LYS HE2 . 25544 1 884 . 1 1 70 70 LYS HE3 H 1 2.940 0.030 . 2 . . . A 127 LYS HE3 . 25544 1 885 . 1 1 70 70 LYS C C 13 176.354 0.300 . 1 . . . A 127 LYS C . 25544 1 886 . 1 1 70 70 LYS CA C 13 60.153 0.300 . 1 . . . A 127 LYS CA . 25544 1 887 . 1 1 70 70 LYS CB C 13 32.100 0.300 . 1 . . . A 127 LYS CB . 25544 1 888 . 1 1 70 70 LYS CG C 13 25.175 0.300 . 1 . . . A 127 LYS CG . 25544 1 889 . 1 1 70 70 LYS CD C 13 29.333 0.300 . 1 . . . A 127 LYS CD . 25544 1 890 . 1 1 70 70 LYS CE C 13 41.938 0.300 . 1 . . . A 127 LYS CE . 25544 1 891 . 1 1 70 70 LYS N N 15 120.369 0.300 . 1 . . . A 127 LYS N . 25544 1 892 . 1 1 71 71 VAL H H 1 7.812 0.030 . 1 . . . A 128 VAL H . 25544 1 893 . 1 1 71 71 VAL HA H 1 3.765 0.030 . 1 . . . A 128 VAL HA . 25544 1 894 . 1 1 71 71 VAL HB H 1 2.164 0.030 . 1 . . . A 128 VAL HB . 25544 1 895 . 1 1 71 71 VAL HG11 H 1 1.121 0.030 . 2 . . . A 128 VAL MG1 . 25544 1 896 . 1 1 71 71 VAL HG12 H 1 1.121 0.030 . 2 . . . A 128 VAL MG1 . 25544 1 897 . 1 1 71 71 VAL HG13 H 1 1.121 0.030 . 2 . . . A 128 VAL MG1 . 25544 1 898 . 1 1 71 71 VAL HG21 H 1 0.997 0.030 . 2 . . . A 128 VAL MG2 . 25544 1 899 . 1 1 71 71 VAL HG22 H 1 0.997 0.030 . 2 . . . A 128 VAL MG2 . 25544 1 900 . 1 1 71 71 VAL HG23 H 1 0.997 0.030 . 2 . . . A 128 VAL MG2 . 25544 1 901 . 1 1 71 71 VAL C C 13 174.195 0.300 . 1 . . . A 128 VAL C . 25544 1 902 . 1 1 71 71 VAL CA C 13 66.365 0.300 . 1 . . . A 128 VAL CA . 25544 1 903 . 1 1 71 71 VAL CB C 13 32.206 0.300 . 1 . . . A 128 VAL CB . 25544 1 904 . 1 1 71 71 VAL CG1 C 13 22.570 0.300 . 2 . . . A 128 VAL CG1 . 25544 1 905 . 1 1 71 71 VAL CG2 C 13 21.175 0.300 . 2 . . . A 128 VAL CG2 . 25544 1 906 . 1 1 71 71 VAL N N 15 120.445 0.300 . 1 . . . A 128 VAL N . 25544 1 907 . 1 1 72 72 TYR H H 1 8.131 0.030 . 1 . . . A 129 TYR H . 25544 1 908 . 1 1 72 72 TYR HA H 1 4.413 0.030 . 1 . . . A 129 TYR HA . 25544 1 909 . 1 1 72 72 TYR HB2 H 1 2.978 0.030 . 2 . . . A 129 TYR HB2 . 25544 1 910 . 1 1 72 72 TYR HB3 H 1 3.105 0.030 . 2 . . . A 129 TYR HB3 . 25544 1 911 . 1 1 72 72 TYR HD1 H 1 6.708 0.030 . 3 . . . A 129 TYR HD1 . 25544 1 912 . 1 1 72 72 TYR HD2 H 1 6.708 0.030 . 3 . . . A 129 TYR HD2 . 25544 1 913 . 1 1 72 72 TYR HE1 H 1 6.580 0.030 . 3 . . . A 129 TYR HE1 . 25544 1 914 . 1 1 72 72 TYR HE2 H 1 6.580 0.030 . 3 . . . A 129 TYR HE2 . 25544 1 915 . 1 1 72 72 TYR CA C 13 61.181 0.300 . 1 . . . A 129 TYR CA . 25544 1 916 . 1 1 72 72 TYR CB C 13 37.941 0.300 . 1 . . . A 129 TYR CB . 25544 1 917 . 1 1 72 72 TYR CD1 C 13 132.586 0.300 . 3 . . . A 129 TYR CD1 . 25544 1 918 . 1 1 72 72 TYR CD2 C 13 132.586 0.300 . 3 . . . A 129 TYR CD2 . 25544 1 919 . 1 1 72 72 TYR CE1 C 13 117.973 0.300 . 3 . . . A 129 TYR CE1 . 25544 1 920 . 1 1 72 72 TYR CE2 C 13 117.973 0.300 . 3 . . . A 129 TYR CE2 . 25544 1 921 . 1 1 72 72 TYR N N 15 122.074 0.300 . 1 . . . A 129 TYR N . 25544 1 922 . 1 1 73 73 HIS H H 1 8.840 0.030 . 1 . . . A 130 HIS H . 25544 1 923 . 1 1 73 73 HIS HA H 1 4.135 0.030 . 1 . . . A 130 HIS HA . 25544 1 924 . 1 1 73 73 HIS HB2 H 1 3.144 0.030 . 2 . . . A 130 HIS HB2 . 25544 1 925 . 1 1 73 73 HIS HB3 H 1 3.179 0.030 . 2 . . . A 130 HIS HB3 . 25544 1 926 . 1 1 73 73 HIS HD2 H 1 7.076 0.030 . 1 . . . A 130 HIS HD2 . 25544 1 927 . 1 1 73 73 HIS HE1 H 1 7.941 0.030 . 1 . . . A 130 HIS HE1 . 25544 1 928 . 1 1 73 73 HIS C C 13 174.214 0.300 . 1 . . . A 130 HIS C . 25544 1 929 . 1 1 73 73 HIS CA C 13 59.692 0.300 . 1 . . . A 130 HIS CA . 25544 1 930 . 1 1 73 73 HIS CB C 13 29.933 0.300 . 1 . . . A 130 HIS CB . 25544 1 931 . 1 1 73 73 HIS CD2 C 13 119.397 0.300 . 1 . . . A 130 HIS CD2 . 25544 1 932 . 1 1 73 73 HIS CE1 C 13 138.305 0.300 . 1 . . . A 130 HIS CE1 . 25544 1 933 . 1 1 73 73 HIS N N 15 118.097 0.300 . 1 . . . A 130 HIS N . 25544 1 934 . 1 1 74 74 ALA H H 1 8.011 0.030 . 1 . . . A 131 ALA H . 25544 1 935 . 1 1 74 74 ALA HA H 1 4.197 0.030 . 1 . . . A 131 ALA HA . 25544 1 936 . 1 1 74 74 ALA HB1 H 1 1.535 0.030 . 1 . . . A 131 ALA MB . 25544 1 937 . 1 1 74 74 ALA HB2 H 1 1.535 0.030 . 1 . . . A 131 ALA MB . 25544 1 938 . 1 1 74 74 ALA HB3 H 1 1.535 0.030 . 1 . . . A 131 ALA MB . 25544 1 939 . 1 1 74 74 ALA C C 13 176.134 0.300 . 1 . . . A 131 ALA C . 25544 1 940 . 1 1 74 74 ALA CA C 13 54.840 0.300 . 1 . . . A 131 ALA CA . 25544 1 941 . 1 1 74 74 ALA CB C 13 17.942 0.300 . 1 . . . A 131 ALA CB . 25544 1 942 . 1 1 74 74 ALA N N 15 122.904 0.300 . 1 . . . A 131 ALA N . 25544 1 943 . 1 1 75 75 TRP H H 1 8.113 0.030 . 1 . . . A 132 TRP H . 25544 1 944 . 1 1 75 75 TRP HA H 1 4.243 0.030 . 1 . . . A 132 TRP HA . 25544 1 945 . 1 1 75 75 TRP HB2 H 1 3.303 0.030 . 2 . . . A 132 TRP HB2 . 25544 1 946 . 1 1 75 75 TRP HB3 H 1 3.532 0.030 . 2 . . . A 132 TRP HB3 . 25544 1 947 . 1 1 75 75 TRP HD1 H 1 7.272 0.030 . 1 . . . A 132 TRP HD1 . 25544 1 948 . 1 1 75 75 TRP HE1 H 1 10.250 0.030 . 1 . . . A 132 TRP HE1 . 25544 1 949 . 1 1 75 75 TRP HE3 H 1 7.368 0.030 . 1 . . . A 132 TRP HE3 . 25544 1 950 . 1 1 75 75 TRP HZ2 H 1 7.468 0.030 . 1 . . . A 132 TRP HZ2 . 25544 1 951 . 1 1 75 75 TRP HZ3 H 1 7.101 0.030 . 1 . . . A 132 TRP HZ3 . 25544 1 952 . 1 1 75 75 TRP HH2 H 1 7.255 0.030 . 1 . . . A 132 TRP HH2 . 25544 1 953 . 1 1 75 75 TRP C C 13 173.394 0.300 . 1 . . . A 132 TRP C . 25544 1 954 . 1 1 75 75 TRP CA C 13 60.591 0.300 . 1 . . . A 132 TRP CA . 25544 1 955 . 1 1 75 75 TRP CB C 13 28.257 0.300 . 1 . . . A 132 TRP CB . 25544 1 956 . 1 1 75 75 TRP CD1 C 13 127.700 0.300 . 1 . . . A 132 TRP CD1 . 25544 1 957 . 1 1 75 75 TRP CE3 C 13 120.407 0.300 . 1 . . . A 132 TRP CE3 . 25544 1 958 . 1 1 75 75 TRP CZ2 C 13 114.683 0.300 . 1 . . . A 132 TRP CZ2 . 25544 1 959 . 1 1 75 75 TRP CZ3 C 13 121.898 0.300 . 1 . . . A 132 TRP CZ3 . 25544 1 960 . 1 1 75 75 TRP CH2 C 13 124.479 0.300 . 1 . . . A 132 TRP CH2 . 25544 1 961 . 1 1 75 75 TRP N N 15 121.333 0.300 . 1 . . . A 132 TRP N . 25544 1 962 . 1 1 75 75 TRP NE1 N 15 130.329 0.300 . 1 . . . A 132 TRP NE1 . 25544 1 963 . 1 1 76 76 LYS H H 1 8.532 0.030 . 1 . . . A 133 LYS H . 25544 1 964 . 1 1 76 76 LYS HA H 1 3.421 0.030 . 1 . . . A 133 LYS HA . 25544 1 965 . 1 1 76 76 LYS HB2 H 1 1.456 0.030 . 2 . . . A 133 LYS HB2 . 25544 1 966 . 1 1 76 76 LYS HB3 H 1 1.585 0.030 . 2 . . . A 133 LYS HB3 . 25544 1 967 . 1 1 76 76 LYS HG2 H 1 1.138 0.030 . 2 . . . A 133 LYS HG2 . 25544 1 968 . 1 1 76 76 LYS HG3 H 1 1.133 0.030 . 2 . . . A 133 LYS HG3 . 25544 1 969 . 1 1 76 76 LYS HD2 H 1 1.497 0.030 . 2 . . . A 133 LYS HD2 . 25544 1 970 . 1 1 76 76 LYS HD3 H 1 1.497 0.030 . 2 . . . A 133 LYS HD3 . 25544 1 971 . 1 1 76 76 LYS HE2 H 1 2.887 0.030 . 2 . . . A 133 LYS HE2 . 25544 1 972 . 1 1 76 76 LYS HE3 H 1 2.887 0.030 . 2 . . . A 133 LYS HE3 . 25544 1 973 . 1 1 76 76 LYS CA C 13 58.007 0.300 . 1 . . . A 133 LYS CA . 25544 1 974 . 1 1 76 76 LYS CB C 13 31.923 0.300 . 1 . . . A 133 LYS CB . 25544 1 975 . 1 1 76 76 LYS CG C 13 24.228 0.300 . 1 . . . A 133 LYS CG . 25544 1 976 . 1 1 76 76 LYS CD C 13 28.847 0.300 . 1 . . . A 133 LYS CD . 25544 1 977 . 1 1 76 76 LYS CE C 13 42.000 0.300 . 1 . . . A 133 LYS CE . 25544 1 978 . 1 1 76 76 LYS N N 15 120.741 0.300 . 1 . . . A 133 LYS N . 25544 1 979 . 1 1 77 77 SER H H 1 7.781 0.030 . 1 . . . A 134 SER H . 25544 1 980 . 1 1 77 77 SER HA H 1 4.145 0.030 . 1 . . . A 134 SER HA . 25544 1 981 . 1 1 77 77 SER HB2 H 1 3.856 0.030 . 2 . . . A 134 SER HB2 . 25544 1 982 . 1 1 77 77 SER HB3 H 1 3.897 0.030 . 2 . . . A 134 SER HB3 . 25544 1 983 . 1 1 77 77 SER C C 13 177.387 0.300 . 1 . . . A 134 SER C . 25544 1 984 . 1 1 77 77 SER CA C 13 60.146 0.300 . 1 . . . A 134 SER CA . 25544 1 985 . 1 1 77 77 SER CB C 13 63.235 0.300 . 1 . . . A 134 SER CB . 25544 1 986 . 1 1 77 77 SER N N 15 113.354 0.300 . 1 . . . A 134 SER N . 25544 1 987 . 1 1 78 78 LYS H H 1 7.536 0.030 . 1 . . . A 135 LYS H . 25544 1 988 . 1 1 78 78 LYS HA H 1 4.137 0.030 . 1 . . . A 135 LYS HA . 25544 1 989 . 1 1 78 78 LYS HB2 H 1 1.716 0.030 . 2 . . . A 135 LYS HB2 . 25544 1 990 . 1 1 78 78 LYS HB3 H 1 1.770 0.030 . 2 . . . A 135 LYS HB3 . 25544 1 991 . 1 1 78 78 LYS HG2 H 1 1.344 0.030 . 2 . . . A 135 LYS HG2 . 25544 1 992 . 1 1 78 78 LYS HG3 H 1 1.414 0.030 . 2 . . . A 135 LYS HG3 . 25544 1 993 . 1 1 78 78 LYS HD2 H 1 1.602 0.030 . 2 . . . A 135 LYS HD2 . 25544 1 994 . 1 1 78 78 LYS HD3 H 1 1.560 0.030 . 2 . . . A 135 LYS HD3 . 25544 1 995 . 1 1 78 78 LYS HE2 H 1 2.924 0.030 . 2 . . . A 135 LYS HE2 . 25544 1 996 . 1 1 78 78 LYS HE3 H 1 2.924 0.030 . 2 . . . A 135 LYS HE3 . 25544 1 997 . 1 1 78 78 LYS C C 13 174.830 0.300 . 1 . . . A 135 LYS C . 25544 1 998 . 1 1 78 78 LYS CA C 13 57.165 0.300 . 1 . . . A 135 LYS CA . 25544 1 999 . 1 1 78 78 LYS CB C 13 32.787 0.300 . 1 . . . A 135 LYS CB . 25544 1 1000 . 1 1 78 78 LYS CG C 13 24.671 0.300 . 1 . . . A 135 LYS CG . 25544 1 1001 . 1 1 78 78 LYS CD C 13 29.116 0.300 . 1 . . . A 135 LYS CD . 25544 1 1002 . 1 1 78 78 LYS CE C 13 41.803 0.300 . 1 . . . A 135 LYS CE . 25544 1 1003 . 1 1 78 78 LYS N N 15 120.972 0.300 . 1 . . . A 135 LYS N . 25544 1 1004 . 1 1 79 79 ASN H H 1 7.737 0.030 . 1 . . . A 136 ASN H . 25544 1 1005 . 1 1 79 79 ASN HA H 1 4.491 0.030 . 1 . . . A 136 ASN HA . 25544 1 1006 . 1 1 79 79 ASN HB2 H 1 2.098 0.030 . 2 . . . A 136 ASN HB2 . 25544 1 1007 . 1 1 79 79 ASN HB3 H 1 2.483 0.030 . 2 . . . A 136 ASN HB3 . 25544 1 1008 . 1 1 79 79 ASN HD21 H 1 7.085 0.030 . 2 . . . A 136 ASN HD21 . 25544 1 1009 . 1 1 79 79 ASN HD22 H 1 6.582 0.030 . 2 . . . A 136 ASN HD22 . 25544 1 1010 . 1 1 79 79 ASN C C 13 175.845 0.300 . 1 . . . A 136 ASN C . 25544 1 1011 . 1 1 79 79 ASN CA C 13 53.458 0.300 . 1 . . . A 136 ASN CA . 25544 1 1012 . 1 1 79 79 ASN CB C 13 38.855 0.300 . 1 . . . A 136 ASN CB . 25544 1 1013 . 1 1 79 79 ASN N N 15 117.788 0.300 . 1 . . . A 136 ASN N . 25544 1 1014 . 1 1 79 79 ASN ND2 N 15 113.899 0.300 . 1 . . . A 136 ASN ND2 . 25544 1 1015 . 1 1 80 80 LYS H H 1 7.856 0.030 . 1 . . . A 137 LYS H . 25544 1 1016 . 1 1 80 80 LYS HA H 1 4.179 0.030 . 1 . . . A 137 LYS HA . 25544 1 1017 . 1 1 80 80 LYS HB2 H 1 1.718 0.030 . 2 . . . A 137 LYS HB2 . 25544 1 1018 . 1 1 80 80 LYS HB3 H 1 1.776 0.030 . 2 . . . A 137 LYS HB3 . 25544 1 1019 . 1 1 80 80 LYS HG2 H 1 1.336 0.030 . 2 . . . A 137 LYS HG2 . 25544 1 1020 . 1 1 80 80 LYS HG3 H 1 1.336 0.030 . 2 . . . A 137 LYS HG3 . 25544 1 1021 . 1 1 80 80 LYS HD2 H 1 1.623 0.030 . 2 . . . A 137 LYS HD2 . 25544 1 1022 . 1 1 80 80 LYS HD3 H 1 1.623 0.030 . 2 . . . A 137 LYS HD3 . 25544 1 1023 . 1 1 80 80 LYS HE2 H 1 2.931 0.030 . 2 . . . A 137 LYS HE2 . 25544 1 1024 . 1 1 80 80 LYS HE3 H 1 2.931 0.030 . 2 . . . A 137 LYS HE3 . 25544 1 1025 . 1 1 80 80 LYS C C 13 175.343 0.300 . 1 . . . A 137 LYS C . 25544 1 1026 . 1 1 80 80 LYS CA C 13 56.426 0.300 . 1 . . . A 137 LYS CA . 25544 1 1027 . 1 1 80 80 LYS CB C 13 32.711 0.300 . 1 . . . A 137 LYS CB . 25544 1 1028 . 1 1 80 80 LYS CG C 13 24.668 0.300 . 1 . . . A 137 LYS CG . 25544 1 1029 . 1 1 80 80 LYS CD C 13 28.878 0.300 . 1 . . . A 137 LYS CD . 25544 1 1030 . 1 1 80 80 LYS CE C 13 42.015 0.300 . 1 . . . A 137 LYS CE . 25544 1 1031 . 1 1 80 80 LYS N N 15 121.298 0.300 . 1 . . . A 137 LYS N . 25544 1 1032 . 1 1 81 81 LYS H H 1 8.322 0.030 . 1 . . . A 138 LYS H . 25544 1 1033 . 1 1 81 81 LYS HA H 1 4.259 0.030 . 1 . . . A 138 LYS HA . 25544 1 1034 . 1 1 81 81 LYS HB2 H 1 1.720 0.030 . 2 . . . A 138 LYS HB2 . 25544 1 1035 . 1 1 81 81 LYS HB3 H 1 1.817 0.030 . 2 . . . A 138 LYS HB3 . 25544 1 1036 . 1 1 81 81 LYS HG2 H 1 1.379 0.030 . 2 . . . A 138 LYS HG2 . 25544 1 1037 . 1 1 81 81 LYS HG3 H 1 1.379 0.030 . 2 . . . A 138 LYS HG3 . 25544 1 1038 . 1 1 81 81 LYS HD2 H 1 1.666 0.030 . 2 . . . A 138 LYS HD2 . 25544 1 1039 . 1 1 81 81 LYS HD3 H 1 1.666 0.030 . 2 . . . A 138 LYS HD3 . 25544 1 1040 . 1 1 81 81 LYS HE2 H 1 2.966 0.030 . 2 . . . A 138 LYS HE2 . 25544 1 1041 . 1 1 81 81 LYS HE3 H 1 2.966 0.030 . 2 . . . A 138 LYS HE3 . 25544 1 1042 . 1 1 81 81 LYS C C 13 172.827 0.300 . 1 . . . A 138 LYS C . 25544 1 1043 . 1 1 81 81 LYS CA C 13 56.332 0.300 . 1 . . . A 138 LYS CA . 25544 1 1044 . 1 1 81 81 LYS CB C 13 32.913 0.300 . 1 . . . A 138 LYS CB . 25544 1 1045 . 1 1 81 81 LYS CG C 13 24.678 0.300 . 1 . . . A 138 LYS CG . 25544 1 1046 . 1 1 81 81 LYS CD C 13 29.046 0.300 . 1 . . . A 138 LYS CD . 25544 1 1047 . 1 1 81 81 LYS CE C 13 42.103 0.300 . 1 . . . A 138 LYS CE . 25544 1 1048 . 1 1 81 81 LYS N N 15 123.481 0.300 . 1 . . . A 138 LYS N . 25544 1 1049 . 1 1 82 82 ARG H H 1 8.066 0.030 . 1 . . . A 139 ARG H . 25544 1 1050 . 1 1 82 82 ARG HA H 1 4.112 0.030 . 1 . . . A 139 ARG HA . 25544 1 1051 . 1 1 82 82 ARG HB2 H 1 1.675 0.030 . 2 . . . A 139 ARG HB2 . 25544 1 1052 . 1 1 82 82 ARG HB3 H 1 1.803 0.030 . 2 . . . A 139 ARG HB3 . 25544 1 1053 . 1 1 82 82 ARG HG2 H 1 1.553 0.030 . 2 . . . A 139 ARG HG2 . 25544 1 1054 . 1 1 82 82 ARG HG3 H 1 1.553 0.030 . 2 . . . A 139 ARG HG3 . 25544 1 1055 . 1 1 82 82 ARG HD2 H 1 3.139 0.030 . 2 . . . A 139 ARG HD2 . 25544 1 1056 . 1 1 82 82 ARG HD3 H 1 3.139 0.030 . 2 . . . A 139 ARG HD3 . 25544 1 1057 . 1 1 82 82 ARG C C 13 178.201 0.300 . 1 . . . A 139 ARG C . 25544 1 1058 . 1 1 82 82 ARG CA C 13 57.499 0.300 . 1 . . . A 139 ARG CA . 25544 1 1059 . 1 1 82 82 ARG CB C 13 31.367 0.300 . 1 . . . A 139 ARG CB . 25544 1 1060 . 1 1 82 82 ARG CG C 13 27.259 0.300 . 1 . . . A 139 ARG CG . 25544 1 1061 . 1 1 82 82 ARG CD C 13 43.381 0.300 . 1 . . . A 139 ARG CD . 25544 1 1062 . 1 1 82 82 ARG N N 15 128.274 0.300 . 1 . . . A 139 ARG N . 25544 1 stop_ save_