data_19217 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19217 _Entry.Title ; SmTSP2EC2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-02 _Entry.Accession_date 2013-05-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _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.Entry_ID 1 Jason Mulvenna . . . 19217 2 Xinying Jia . . . 19217 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 'Unveil the schistosoma teguments' 'Queensland Institute of Medical Research' . 19217 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Tetraspanin . 19217 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19217 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 274 19217 '15N chemical shifts' 82 19217 '1H chemical shifts' 556 19217 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 . . 2014-05-05 2013-05-02 update BMRB 'update entry citation' 19217 1 . . 2014-01-21 2013-05-02 original author 'original release' 19217 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19217 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24429291 _Citation.Full_citation . _Citation.Title 'Solution Structure, Membrane Interactions, and Protein Binding Partners of the Tetraspanin Sm-TSP-2, a Vaccine Antigen from the Human Blood Fluke Schistosoma mansoni.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 289 _Citation.Journal_issue 10 _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 7151 _Citation.Page_last 7163 _Citation.Year 2014 _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.Entry_ID _Citation_author.Citation_ID 1 Xinying Jia . . . 19217 1 2 Leigh Schulte . . . 19217 1 3 Alex Loukas . . . 19217 1 4 Darren Pickering . . . 19217 1 5 Mark Pearson . . . 19217 1 6 Mehdi Mobli . . . 19217 1 7 Alun Jones . . . 19217 1 8 Karl Rosengren . J. . 19217 1 9 Norelle Daly . L. . 19217 1 10 Geoffrey Gobert . N. . 19217 1 11 Malcolm Jones . K. . 19217 1 12 David Craik . J. . 19217 1 13 Jason Mulvenna . . . 19217 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19217 _Assembly.ID 1 _Assembly.Name SmTSP2EC2 _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 SmTSP2EC2 1 $SmTSP2EC2 A . yes native no no . . . 19217 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SmTSP2EC2 _Entity.Sf_category entity _Entity.Sf_framecode SmTSP2EC2 _Entity.Entry_ID 19217 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SmTSP2EC2 _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 ; GSNEKPKVKKHITSALKKLV DKYRNDEHVRKVFDEIQQKL HCCGADSPKDYGENPPTSCS KDGVQFTEGCIKKVSDLSKA H ; _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 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9091.423 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M7Z . Smtsp2ec2 . . . . . 100.00 81 100.00 100.00 8.38e-51 . . . . 19217 1 2 no GB AAN17276 . "CD63-like protein Sm-TSP-2 [Schistosoma mansoni]" . . . . . 96.30 239 100.00 100.00 3.57e-48 . . . . 19217 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 19217 1 2 . SER . 19217 1 3 . ASN . 19217 1 4 . GLU . 19217 1 5 . LYS . 19217 1 6 . PRO . 19217 1 7 . LYS . 19217 1 8 . VAL . 19217 1 9 . LYS . 19217 1 10 . LYS . 19217 1 11 . HIS . 19217 1 12 . ILE . 19217 1 13 . THR . 19217 1 14 . SER . 19217 1 15 . ALA . 19217 1 16 . LEU . 19217 1 17 . LYS . 19217 1 18 . LYS . 19217 1 19 . LEU . 19217 1 20 . VAL . 19217 1 21 . ASP . 19217 1 22 . LYS . 19217 1 23 . TYR . 19217 1 24 . ARG . 19217 1 25 . ASN . 19217 1 26 . ASP . 19217 1 27 . GLU . 19217 1 28 . HIS . 19217 1 29 . VAL . 19217 1 30 . ARG . 19217 1 31 . LYS . 19217 1 32 . VAL . 19217 1 33 . PHE . 19217 1 34 . ASP . 19217 1 35 . GLU . 19217 1 36 . ILE . 19217 1 37 . GLN . 19217 1 38 . GLN . 19217 1 39 . LYS . 19217 1 40 . LEU . 19217 1 41 . HIS . 19217 1 42 . CYS . 19217 1 43 . CYS . 19217 1 44 . GLY . 19217 1 45 . ALA . 19217 1 46 . ASP . 19217 1 47 . SER . 19217 1 48 . PRO . 19217 1 49 . LYS . 19217 1 50 . ASP . 19217 1 51 . TYR . 19217 1 52 . GLY . 19217 1 53 . GLU . 19217 1 54 . ASN . 19217 1 55 . PRO . 19217 1 56 . PRO . 19217 1 57 . THR . 19217 1 58 . SER . 19217 1 59 . CYS . 19217 1 60 . SER . 19217 1 61 . LYS . 19217 1 62 . ASP . 19217 1 63 . GLY . 19217 1 64 . VAL . 19217 1 65 . GLN . 19217 1 66 . PHE . 19217 1 67 . THR . 19217 1 68 . GLU . 19217 1 69 . GLY . 19217 1 70 . CYS . 19217 1 71 . ILE . 19217 1 72 . LYS . 19217 1 73 . LYS . 19217 1 74 . VAL . 19217 1 75 . SER . 19217 1 76 . ASP . 19217 1 77 . LEU . 19217 1 78 . SER . 19217 1 79 . LYS . 19217 1 80 . ALA . 19217 1 81 . HIS . 19217 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19217 1 . SER 2 2 19217 1 . ASN 3 3 19217 1 . GLU 4 4 19217 1 . LYS 5 5 19217 1 . PRO 6 6 19217 1 . LYS 7 7 19217 1 . VAL 8 8 19217 1 . LYS 9 9 19217 1 . LYS 10 10 19217 1 . HIS 11 11 19217 1 . ILE 12 12 19217 1 . THR 13 13 19217 1 . SER 14 14 19217 1 . ALA 15 15 19217 1 . LEU 16 16 19217 1 . LYS 17 17 19217 1 . LYS 18 18 19217 1 . LEU 19 19 19217 1 . VAL 20 20 19217 1 . ASP 21 21 19217 1 . LYS 22 22 19217 1 . TYR 23 23 19217 1 . ARG 24 24 19217 1 . ASN 25 25 19217 1 . ASP 26 26 19217 1 . GLU 27 27 19217 1 . HIS 28 28 19217 1 . VAL 29 29 19217 1 . ARG 30 30 19217 1 . LYS 31 31 19217 1 . VAL 32 32 19217 1 . PHE 33 33 19217 1 . ASP 34 34 19217 1 . GLU 35 35 19217 1 . ILE 36 36 19217 1 . GLN 37 37 19217 1 . GLN 38 38 19217 1 . LYS 39 39 19217 1 . LEU 40 40 19217 1 . HIS 41 41 19217 1 . CYS 42 42 19217 1 . CYS 43 43 19217 1 . GLY 44 44 19217 1 . ALA 45 45 19217 1 . ASP 46 46 19217 1 . SER 47 47 19217 1 . PRO 48 48 19217 1 . LYS 49 49 19217 1 . ASP 50 50 19217 1 . TYR 51 51 19217 1 . GLY 52 52 19217 1 . GLU 53 53 19217 1 . ASN 54 54 19217 1 . PRO 55 55 19217 1 . PRO 56 56 19217 1 . THR 57 57 19217 1 . SER 58 58 19217 1 . CYS 59 59 19217 1 . SER 60 60 19217 1 . LYS 61 61 19217 1 . ASP 62 62 19217 1 . GLY 63 63 19217 1 . VAL 64 64 19217 1 . GLN 65 65 19217 1 . PHE 66 66 19217 1 . THR 67 67 19217 1 . GLU 68 68 19217 1 . GLY 69 69 19217 1 . CYS 70 70 19217 1 . ILE 71 71 19217 1 . LYS 72 72 19217 1 . LYS 73 73 19217 1 . VAL 74 74 19217 1 . SER 75 75 19217 1 . ASP 76 76 19217 1 . LEU 77 77 19217 1 . SER 78 78 19217 1 . LYS 79 79 19217 1 . ALA 80 80 19217 1 . HIS 81 81 19217 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 19217 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SmTSP2EC2 . 6183 organism . 'Schistosoma mansoni' Flatworm . . Eukaryota Metazoa Schistosoma mansoni . . . . . . . . . . . . . . . . . . . . . 19217 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 19217 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SmTSP2EC2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pLICMBP . . . . . . 19217 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19217 _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 SmTSP2EC2 '[U-100% 13C; U-100% 15N]' . . 1 $SmTSP2EC2 . . 1.4 . . mM . . . . 19217 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19217 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19217 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 19217 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.2 . pH 19217 1 pressure 1 . atm 19217 1 temperature 298 . K 19217 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19217 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19217 1 CCPN . . 19217 1 'Guntert, Mumenthaler and Wuthrich' . . 19217 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19217 1 collection 19217 1 'peak picking' 19217 1 processing 19217 1 'structure solution' 19217 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19217 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19217 _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 . 900 . . . 19217 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 19217 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19217 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19217 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19217 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19217 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19217 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19217 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19217 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19217 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19217 1 10 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19217 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19217 1 12 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19217 1 13 '4D HCC(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19217 1 14 '2D (H)CB-(CGCCTOCSY)-Har' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19217 1 15 'Tyr-selective 2D (H)CB-(CGCCTOCSY)-Har' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19217 1 16 'Phe-selective 2D (H)CB-(CGCCTOCSY)-Har' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19217 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 19217 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19217 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . . . . . 19217 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19217 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 19217 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19217 1 2 '2D 1H-13C HSQC aliphatic' . . . 19217 1 3 '2D 1H-13C HSQC aromatic' . . . 19217 1 4 '3D CBCA(CO)NH' . . . 19217 1 5 '3D HNCA' . . . 19217 1 6 '3D HNCACB' . . . 19217 1 7 '3D HNCO' . . . 19217 1 8 '3D HBHA(CO)NH' . . . 19217 1 12 '3D HN(CA)CO' . . . 19217 1 13 '4D HCC(CO)NH-TOCSY' . . . 19217 1 14 '2D (H)CB-(CGCCTOCSY)-Har' . . . 19217 1 15 'Tyr-selective 2D (H)CB-(CGCCTOCSY)-Har' . . . 19217 1 16 'Phe-selective 2D (H)CB-(CGCCTOCSY)-Har' . . . 19217 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.898 0.000 . . . . . A 1 GLY HA2 . 19217 1 2 . 1 1 1 1 GLY HA3 H 1 3.898 0.000 . . . . . A 1 GLY HA3 . 19217 1 3 . 1 1 1 1 GLY CA C 13 43.407 0.000 . . . . . A 1 GLY CA . 19217 1 4 . 1 1 2 2 SER H H 1 8.716 0.000 . . . . . A 2 SER H . 19217 1 5 . 1 1 2 2 SER HA H 1 4.496 0.000 . . . . . A 2 SER HA . 19217 1 6 . 1 1 2 2 SER HB2 H 1 3.849 0.000 . . . . . A 2 SER HB2 . 19217 1 7 . 1 1 2 2 SER HB3 H 1 3.892 0.000 . . . . . A 2 SER HB3 . 19217 1 8 . 1 1 2 2 SER CA C 13 58.438 0.000 . . . . . A 2 SER CA . 19217 1 9 . 1 1 2 2 SER CB C 13 63.859 0.004 . . . . . A 2 SER CB . 19217 1 10 . 1 1 2 2 SER N N 15 115.654 0.000 . . . . . A 2 SER N . 19217 1 11 . 1 1 3 3 ASN H H 1 8.703 0.000 . . . . . A 3 ASN H . 19217 1 12 . 1 1 3 3 ASN HA H 1 4.728 0.000 . . . . . A 3 ASN HA . 19217 1 13 . 1 1 3 3 ASN HB2 H 1 2.743 0.000 . . . . . A 3 ASN HB2 . 19217 1 14 . 1 1 3 3 ASN HB3 H 1 2.839 0.000 . . . . . A 3 ASN HB3 . 19217 1 15 . 1 1 3 3 ASN HD21 H 1 7.594 0.000 . . . . . A 3 ASN HD21 . 19217 1 16 . 1 1 3 3 ASN HD22 H 1 6.924 0.000 . . . . . A 3 ASN HD22 . 19217 1 17 . 1 1 3 3 ASN CA C 13 53.319 0.000 . . . . . A 3 ASN CA . 19217 1 18 . 1 1 3 3 ASN CB C 13 38.647 0.000 . . . . . A 3 ASN CB . 19217 1 19 . 1 1 3 3 ASN N N 15 120.885 0.000 . . . . . A 3 ASN N . 19217 1 20 . 1 1 3 3 ASN ND2 N 15 112.958 0.001 . . . . . A 3 ASN ND2 . 19217 1 21 . 1 1 4 4 GLU H H 1 8.261 0.000 . . . . . A 4 GLU H . 19217 1 22 . 1 1 4 4 GLU HA H 1 4.272 0.000 . . . . . A 4 GLU HA . 19217 1 23 . 1 1 4 4 GLU HB2 H 1 1.902 0.000 . . . . . A 4 GLU HB2 . 19217 1 24 . 1 1 4 4 GLU HB3 H 1 1.999 0.000 . . . . . A 4 GLU HB3 . 19217 1 25 . 1 1 4 4 GLU HG2 H 1 2.231 0.000 . . . . . A 4 GLU HG2 . 19217 1 26 . 1 1 4 4 GLU HG3 H 1 2.231 0.000 . . . . . A 4 GLU HG3 . 19217 1 27 . 1 1 4 4 GLU CA C 13 56.434 0.000 . . . . . A 4 GLU CA . 19217 1 28 . 1 1 4 4 GLU CB C 13 30.469 0.009 . . . . . A 4 GLU CB . 19217 1 29 . 1 1 4 4 GLU CG C 13 36.097 0.000 . . . . . A 4 GLU CG . 19217 1 30 . 1 1 4 4 GLU N N 15 120.920 0.000 . . . . . A 4 GLU N . 19217 1 31 . 1 1 5 5 LYS H H 1 8.452 0.000 . . . . . A 5 LYS H . 19217 1 32 . 1 1 5 5 LYS HA H 1 4.548 0.000 . . . . . A 5 LYS HA . 19217 1 33 . 1 1 5 5 LYS HB2 H 1 1.826 0.000 . . . . . A 5 LYS HB2 . 19217 1 34 . 1 1 5 5 LYS HB3 H 1 1.734 0.000 . . . . . A 5 LYS HB3 . 19217 1 35 . 1 1 5 5 LYS HG2 H 1 1.468 0.000 . . . . . A 5 LYS HG2 . 19217 1 36 . 1 1 5 5 LYS HG3 H 1 1.468 0.000 . . . . . A 5 LYS HG3 . 19217 1 37 . 1 1 5 5 LYS HD2 H 1 1.687 0.000 . . . . . A 5 LYS HD2 . 19217 1 38 . 1 1 5 5 LYS HD3 H 1 1.687 0.000 . . . . . A 5 LYS HD3 . 19217 1 39 . 1 1 5 5 LYS HE2 H 1 2.999 0.000 . . . . . A 5 LYS HE2 . 19217 1 40 . 1 1 5 5 LYS HE3 H 1 2.999 0.000 . . . . . A 5 LYS HE3 . 19217 1 41 . 1 1 5 5 LYS CA C 13 54.630 0.000 . . . . . A 5 LYS CA . 19217 1 42 . 1 1 5 5 LYS CB C 13 32.094 0.000 . . . . . A 5 LYS CB . 19217 1 43 . 1 1 5 5 LYS CG C 13 24.905 0.000 . . . . . A 5 LYS CG . 19217 1 44 . 1 1 5 5 LYS CD C 13 29.146 0.000 . . . . . A 5 LYS CD . 19217 1 45 . 1 1 5 5 LYS CE C 13 42.200 0.000 . . . . . A 5 LYS CE . 19217 1 46 . 1 1 5 5 LYS N N 15 124.113 0.000 . . . . . A 5 LYS N . 19217 1 47 . 1 1 6 6 PRO HA H 1 4.382 0.000 . . . . . A 6 PRO HA . 19217 1 48 . 1 1 6 6 PRO HB2 H 1 2.297 0.000 . . . . . A 6 PRO HB2 . 19217 1 49 . 1 1 6 6 PRO HB3 H 1 1.845 0.000 . . . . . A 6 PRO HB3 . 19217 1 50 . 1 1 6 6 PRO HG2 H 1 1.999 0.000 . . . . . A 6 PRO HG2 . 19217 1 51 . 1 1 6 6 PRO HG3 H 1 2.026 0.000 . . . . . A 6 PRO HG3 . 19217 1 52 . 1 1 6 6 PRO HD2 H 1 3.819 0.000 . . . . . A 6 PRO HD2 . 19217 1 53 . 1 1 6 6 PRO HD3 H 1 3.623 0.000 . . . . . A 6 PRO HD3 . 19217 1 54 . 1 1 6 6 PRO CA C 13 63.366 0.000 . . . . . A 6 PRO CA . 19217 1 55 . 1 1 6 6 PRO CB C 13 32.133 0.000 . . . . . A 6 PRO CB . 19217 1 56 . 1 1 6 6 PRO CG C 13 27.459 0.006 . . . . . A 6 PRO CG . 19217 1 57 . 1 1 6 6 PRO CD C 13 50.665 0.002 . . . . . A 6 PRO CD . 19217 1 58 . 1 1 7 7 LYS H H 1 8.449 0.000 . . . . . A 7 LYS H . 19217 1 59 . 1 1 7 7 LYS HA H 1 4.282 0.000 . . . . . A 7 LYS HA . 19217 1 60 . 1 1 7 7 LYS HB2 H 1 1.743 0.000 . . . . . A 7 LYS HB2 . 19217 1 61 . 1 1 7 7 LYS HB3 H 1 1.802 0.000 . . . . . A 7 LYS HB3 . 19217 1 62 . 1 1 7 7 LYS HG2 H 1 1.418 0.000 . . . . . A 7 LYS HG2 . 19217 1 63 . 1 1 7 7 LYS HG3 H 1 1.512 0.000 . . . . . A 7 LYS HG3 . 19217 1 64 . 1 1 7 7 LYS HD2 H 1 1.680 0.000 . . . . . A 7 LYS HD2 . 19217 1 65 . 1 1 7 7 LYS HD3 H 1 1.680 0.000 . . . . . A 7 LYS HD3 . 19217 1 66 . 1 1 7 7 LYS HE2 H 1 3.008 0.000 . . . . . A 7 LYS HE2 . 19217 1 67 . 1 1 7 7 LYS HE3 H 1 3.008 0.000 . . . . . A 7 LYS HE3 . 19217 1 68 . 1 1 7 7 LYS CA C 13 56.580 0.000 . . . . . A 7 LYS CA . 19217 1 69 . 1 1 7 7 LYS CB C 13 32.989 0.000 . . . . . A 7 LYS CB . 19217 1 70 . 1 1 7 7 LYS CG C 13 24.959 0.005 . . . . . A 7 LYS CG . 19217 1 71 . 1 1 7 7 LYS CD C 13 29.144 0.000 . . . . . A 7 LYS CD . 19217 1 72 . 1 1 7 7 LYS CE C 13 42.258 0.000 . . . . . A 7 LYS CE . 19217 1 73 . 1 1 7 7 LYS N N 15 121.721 0.000 . . . . . A 7 LYS N . 19217 1 74 . 1 1 8 8 VAL H H 1 8.062 0.000 . . . . . A 8 VAL H . 19217 1 75 . 1 1 8 8 VAL HA H 1 4.030 0.000 . . . . . A 8 VAL HA . 19217 1 76 . 1 1 8 8 VAL HB H 1 2.018 0.000 . . . . . A 8 VAL HB . 19217 1 77 . 1 1 8 8 VAL HG11 H 1 0.936 0.000 . . . . . A 8 VAL HG11 . 19217 1 78 . 1 1 8 8 VAL HG12 H 1 0.936 0.000 . . . . . A 8 VAL HG12 . 19217 1 79 . 1 1 8 8 VAL HG13 H 1 0.936 0.000 . . . . . A 8 VAL HG13 . 19217 1 80 . 1 1 8 8 VAL HG21 H 1 0.936 0.000 . . . . . A 8 VAL HG21 . 19217 1 81 . 1 1 8 8 VAL HG22 H 1 0.936 0.000 . . . . . A 8 VAL HG22 . 19217 1 82 . 1 1 8 8 VAL HG23 H 1 0.936 0.000 . . . . . A 8 VAL HG23 . 19217 1 83 . 1 1 8 8 VAL CA C 13 62.751 0.000 . . . . . A 8 VAL CA . 19217 1 84 . 1 1 8 8 VAL CB C 13 32.778 0.000 . . . . . A 8 VAL CB . 19217 1 85 . 1 1 8 8 VAL CG1 C 13 20.993 0.000 . . . . . A 8 VAL CG1 . 19217 1 86 . 1 1 8 8 VAL CG2 C 13 20.993 0.000 . . . . . A 8 VAL CG2 . 19217 1 87 . 1 1 8 8 VAL N N 15 121.294 0.000 . . . . . A 8 VAL N . 19217 1 88 . 1 1 9 9 LYS H H 1 8.429 0.000 . . . . . A 9 LYS H . 19217 1 89 . 1 1 9 9 LYS HA H 1 4.201 0.000 . . . . . A 9 LYS HA . 19217 1 90 . 1 1 9 9 LYS HB2 H 1 1.719 0.000 . . . . . A 9 LYS HB2 . 19217 1 91 . 1 1 9 9 LYS HB3 H 1 1.801 0.000 . . . . . A 9 LYS HB3 . 19217 1 92 . 1 1 9 9 LYS HG2 H 1 1.439 0.000 . . . . . A 9 LYS HG2 . 19217 1 93 . 1 1 9 9 LYS HG3 H 1 1.369 0.000 . . . . . A 9 LYS HG3 . 19217 1 94 . 1 1 9 9 LYS HD2 H 1 1.710 0.000 . . . . . A 9 LYS HD2 . 19217 1 95 . 1 1 9 9 LYS HD3 H 1 1.710 0.000 . . . . . A 9 LYS HD3 . 19217 1 96 . 1 1 9 9 LYS HE2 H 1 2.971 0.000 . . . . . A 9 LYS HE2 . 19217 1 97 . 1 1 9 9 LYS HE3 H 1 2.971 0.000 . . . . . A 9 LYS HE3 . 19217 1 98 . 1 1 9 9 LYS CA C 13 57.275 0.000 . . . . . A 9 LYS CA . 19217 1 99 . 1 1 9 9 LYS CB C 13 32.882 0.002 . . . . . A 9 LYS CB . 19217 1 100 . 1 1 9 9 LYS CG C 13 24.937 0.005 . . . . . A 9 LYS CG . 19217 1 101 . 1 1 9 9 LYS CD C 13 29.134 0.000 . . . . . A 9 LYS CD . 19217 1 102 . 1 1 9 9 LYS CE C 13 42.120 0.000 . . . . . A 9 LYS CE . 19217 1 103 . 1 1 9 9 LYS N N 15 125.108 0.000 . . . . . A 9 LYS N . 19217 1 104 . 1 1 10 10 LYS H H 1 8.322 0.000 . . . . . A 10 LYS H . 19217 1 105 . 1 1 10 10 LYS HA H 1 4.200 0.000 . . . . . A 10 LYS HA . 19217 1 106 . 1 1 10 10 LYS HB2 H 1 1.761 0.000 . . . . . A 10 LYS HB2 . 19217 1 107 . 1 1 10 10 LYS HB3 H 1 1.761 0.000 . . . . . A 10 LYS HB3 . 19217 1 108 . 1 1 10 10 LYS HG2 H 1 1.432 0.000 . . . . . A 10 LYS HG2 . 19217 1 109 . 1 1 10 10 LYS HG3 H 1 1.354 0.000 . . . . . A 10 LYS HG3 . 19217 1 110 . 1 1 10 10 LYS HD2 H 1 1.660 0.000 . . . . . A 10 LYS HD2 . 19217 1 111 . 1 1 10 10 LYS HD3 H 1 1.660 0.000 . . . . . A 10 LYS HD3 . 19217 1 112 . 1 1 10 10 LYS HE2 H 1 2.959 0.000 . . . . . A 10 LYS HE2 . 19217 1 113 . 1 1 10 10 LYS HE3 H 1 2.959 0.000 . . . . . A 10 LYS HE3 . 19217 1 114 . 1 1 10 10 LYS CA C 13 57.424 0.000 . . . . . A 10 LYS CA . 19217 1 115 . 1 1 10 10 LYS CB C 13 32.908 0.000 . . . . . A 10 LYS CB . 19217 1 116 . 1 1 10 10 LYS CG C 13 24.939 0.003 . . . . . A 10 LYS CG . 19217 1 117 . 1 1 10 10 LYS CD C 13 29.119 0.000 . . . . . A 10 LYS CD . 19217 1 118 . 1 1 10 10 LYS CE C 13 42.091 0.000 . . . . . A 10 LYS CE . 19217 1 119 . 1 1 10 10 LYS N N 15 122.428 0.000 . . . . . A 10 LYS N . 19217 1 120 . 1 1 11 11 HIS H H 1 8.402 0.000 . . . . . A 11 HIS H . 19217 1 121 . 1 1 11 11 HIS HA H 1 4.611 0.000 . . . . . A 11 HIS HA . 19217 1 122 . 1 1 11 11 HIS HB2 H 1 3.190 0.000 . . . . . A 11 HIS HB2 . 19217 1 123 . 1 1 11 11 HIS HB3 H 1 3.190 0.000 . . . . . A 11 HIS HB3 . 19217 1 124 . 1 1 11 11 HIS HD2 H 1 7.127 0.000 . . . . . A 11 HIS HD2 . 19217 1 125 . 1 1 11 11 HIS CA C 13 56.994 0.000 . . . . . A 11 HIS CA . 19217 1 126 . 1 1 11 11 HIS CB C 13 29.609 0.000 . . . . . A 11 HIS CB . 19217 1 127 . 1 1 11 11 HIS CD2 C 13 119.674 0.000 . . . . . A 11 HIS CD2 . 19217 1 128 . 1 1 11 11 HIS N N 15 119.909 0.000 . . . . . A 11 HIS N . 19217 1 129 . 1 1 12 12 ILE H H 1 8.152 0.000 . . . . . A 12 ILE H . 19217 1 130 . 1 1 12 12 ILE HA H 1 3.859 0.000 . . . . . A 12 ILE HA . 19217 1 131 . 1 1 12 12 ILE HB H 1 1.860 0.000 . . . . . A 12 ILE HB . 19217 1 132 . 1 1 12 12 ILE HG12 H 1 1.043 0.000 . . . . . A 12 ILE HG12 . 19217 1 133 . 1 1 12 12 ILE HG13 H 1 1.500 0.000 . . . . . A 12 ILE HG13 . 19217 1 134 . 1 1 12 12 ILE HG21 H 1 0.850 0.000 . . . . . A 12 ILE HG21 . 19217 1 135 . 1 1 12 12 ILE HG22 H 1 0.850 0.000 . . . . . A 12 ILE HG22 . 19217 1 136 . 1 1 12 12 ILE HG23 H 1 0.850 0.000 . . . . . A 12 ILE HG23 . 19217 1 137 . 1 1 12 12 ILE HD11 H 1 0.819 0.000 . . . . . A 12 ILE HD11 . 19217 1 138 . 1 1 12 12 ILE HD12 H 1 0.819 0.000 . . . . . A 12 ILE HD12 . 19217 1 139 . 1 1 12 12 ILE HD13 H 1 0.819 0.000 . . . . . A 12 ILE HD13 . 19217 1 140 . 1 1 12 12 ILE CA C 13 63.365 0.000 . . . . . A 12 ILE CA . 19217 1 141 . 1 1 12 12 ILE CB C 13 38.355 0.000 . . . . . A 12 ILE CB . 19217 1 142 . 1 1 12 12 ILE CG1 C 13 28.236 0.005 . . . . . A 12 ILE CG1 . 19217 1 143 . 1 1 12 12 ILE CG2 C 13 17.904 0.000 . . . . . A 12 ILE CG2 . 19217 1 144 . 1 1 12 12 ILE CD1 C 13 13.286 0.000 . . . . . A 12 ILE CD1 . 19217 1 145 . 1 1 12 12 ILE N N 15 121.819 0.000 . . . . . A 12 ILE N . 19217 1 146 . 1 1 13 13 THR H H 1 8.095 0.000 . . . . . A 13 THR H . 19217 1 147 . 1 1 13 13 THR HA H 1 3.933 0.000 . . . . . A 13 THR HA . 19217 1 148 . 1 1 13 13 THR HB H 1 4.185 0.000 . . . . . A 13 THR HB . 19217 1 149 . 1 1 13 13 THR HG21 H 1 1.222 0.000 . . . . . A 13 THR HG21 . 19217 1 150 . 1 1 13 13 THR HG22 H 1 1.222 0.000 . . . . . A 13 THR HG22 . 19217 1 151 . 1 1 13 13 THR HG23 H 1 1.222 0.000 . . . . . A 13 THR HG23 . 19217 1 152 . 1 1 13 13 THR CA C 13 64.847 0.000 . . . . . A 13 THR CA . 19217 1 153 . 1 1 13 13 THR CB C 13 68.899 0.000 . . . . . A 13 THR CB . 19217 1 154 . 1 1 13 13 THR CG2 C 13 21.845 0.000 . . . . . A 13 THR CG2 . 19217 1 155 . 1 1 13 13 THR N N 15 116.420 0.000 . . . . . A 13 THR N . 19217 1 156 . 1 1 14 14 SER H H 1 8.111 0.000 . . . . . A 14 SER H . 19217 1 157 . 1 1 14 14 SER HA H 1 4.230 0.000 . . . . . A 14 SER HA . 19217 1 158 . 1 1 14 14 SER HB2 H 1 3.964 0.000 . . . . . A 14 SER HB2 . 19217 1 159 . 1 1 14 14 SER HB3 H 1 3.853 0.000 . . . . . A 14 SER HB3 . 19217 1 160 . 1 1 14 14 SER CA C 13 60.111 0.000 . . . . . A 14 SER CA . 19217 1 161 . 1 1 14 14 SER CB C 13 63.317 0.000 . . . . . A 14 SER CB . 19217 1 162 . 1 1 14 14 SER N N 15 116.367 0.000 . . . . . A 14 SER N . 19217 1 163 . 1 1 15 15 ALA H H 1 8.248 0.000 . . . . . A 15 ALA H . 19217 1 164 . 1 1 15 15 ALA HA H 1 4.130 0.000 . . . . . A 15 ALA HA . 19217 1 165 . 1 1 15 15 ALA HB1 H 1 1.416 0.000 . . . . . A 15 ALA HB1 . 19217 1 166 . 1 1 15 15 ALA HB2 H 1 1.416 0.000 . . . . . A 15 ALA HB2 . 19217 1 167 . 1 1 15 15 ALA HB3 H 1 1.416 0.000 . . . . . A 15 ALA HB3 . 19217 1 168 . 1 1 15 15 ALA CA C 13 54.838 0.000 . . . . . A 15 ALA CA . 19217 1 169 . 1 1 15 15 ALA CB C 13 18.765 0.000 . . . . . A 15 ALA CB . 19217 1 170 . 1 1 15 15 ALA N N 15 124.756 0.000 . . . . . A 15 ALA N . 19217 1 171 . 1 1 16 16 LEU H H 1 8.188 0.000 . . . . . A 16 LEU H . 19217 1 172 . 1 1 16 16 LEU HA H 1 4.039 0.000 . . . . . A 16 LEU HA . 19217 1 173 . 1 1 16 16 LEU HB2 H 1 1.320 0.000 . . . . . A 16 LEU HB2 . 19217 1 174 . 1 1 16 16 LEU HB3 H 1 1.805 0.000 . . . . . A 16 LEU HB3 . 19217 1 175 . 1 1 16 16 LEU HG H 1 1.830 0.000 . . . . . A 16 LEU HG . 19217 1 176 . 1 1 16 16 LEU HD11 H 1 0.657 0.000 . . . . . A 16 LEU HD11 . 19217 1 177 . 1 1 16 16 LEU HD12 H 1 0.657 0.000 . . . . . A 16 LEU HD12 . 19217 1 178 . 1 1 16 16 LEU HD13 H 1 0.657 0.000 . . . . . A 16 LEU HD13 . 19217 1 179 . 1 1 16 16 LEU HD21 H 1 0.714 0.000 . . . . . A 16 LEU HD21 . 19217 1 180 . 1 1 16 16 LEU HD22 H 1 0.714 0.000 . . . . . A 16 LEU HD22 . 19217 1 181 . 1 1 16 16 LEU HD23 H 1 0.714 0.000 . . . . . A 16 LEU HD23 . 19217 1 182 . 1 1 16 16 LEU CA C 13 57.875 0.000 . . . . . A 16 LEU CA . 19217 1 183 . 1 1 16 16 LEU CB C 13 41.392 0.011 . . . . . A 16 LEU CB . 19217 1 184 . 1 1 16 16 LEU CG C 13 27.553 0.000 . . . . . A 16 LEU CG . 19217 1 185 . 1 1 16 16 LEU CD1 C 13 23.328 0.000 . . . . . A 16 LEU CD1 . 19217 1 186 . 1 1 16 16 LEU CD2 C 13 25.744 0.000 . . . . . A 16 LEU CD2 . 19217 1 187 . 1 1 16 16 LEU N N 15 116.067 0.000 . . . . . A 16 LEU N . 19217 1 188 . 1 1 17 17 LYS H H 1 7.870 0.000 . . . . . A 17 LYS H . 19217 1 189 . 1 1 17 17 LYS HA H 1 3.829 0.000 . . . . . A 17 LYS HA . 19217 1 190 . 1 1 17 17 LYS HB2 H 1 1.774 0.000 . . . . . A 17 LYS HB2 . 19217 1 191 . 1 1 17 17 LYS HB3 H 1 1.924 0.000 . . . . . A 17 LYS HB3 . 19217 1 192 . 1 1 17 17 LYS HG2 H 1 1.436 0.000 . . . . . A 17 LYS HG2 . 19217 1 193 . 1 1 17 17 LYS HG3 H 1 1.436 0.000 . . . . . A 17 LYS HG3 . 19217 1 194 . 1 1 17 17 LYS HD2 H 1 1.544 0.000 . . . . . A 17 LYS HD2 . 19217 1 195 . 1 1 17 17 LYS HD3 H 1 1.694 0.000 . . . . . A 17 LYS HD3 . 19217 1 196 . 1 1 17 17 LYS HE2 H 1 2.933 0.000 . . . . . A 17 LYS HE2 . 19217 1 197 . 1 1 17 17 LYS HE3 H 1 2.933 0.000 . . . . . A 17 LYS HE3 . 19217 1 198 . 1 1 17 17 LYS CA C 13 58.926 0.000 . . . . . A 17 LYS CA . 19217 1 199 . 1 1 17 17 LYS CB C 13 31.963 0.004 . . . . . A 17 LYS CB . 19217 1 200 . 1 1 17 17 LYS CG C 13 25.050 0.000 . . . . . A 17 LYS CG . 19217 1 201 . 1 1 17 17 LYS CD C 13 28.672 0.004 . . . . . A 17 LYS CD . 19217 1 202 . 1 1 17 17 LYS CE C 13 42.084 0.000 . . . . . A 17 LYS CE . 19217 1 203 . 1 1 17 17 LYS N N 15 119.021 0.000 . . . . . A 17 LYS N . 19217 1 204 . 1 1 18 18 LYS H H 1 7.598 0.000 . . . . . A 18 LYS H . 19217 1 205 . 1 1 18 18 LYS HA H 1 4.111 0.000 . . . . . A 18 LYS HA . 19217 1 206 . 1 1 18 18 LYS HB2 H 1 1.879 0.000 . . . . . A 18 LYS HB2 . 19217 1 207 . 1 1 18 18 LYS HB3 H 1 1.879 0.000 . . . . . A 18 LYS HB3 . 19217 1 208 . 1 1 18 18 LYS HG2 H 1 1.437 0.000 . . . . . A 18 LYS HG2 . 19217 1 209 . 1 1 18 18 LYS HG3 H 1 1.437 0.000 . . . . . A 18 LYS HG3 . 19217 1 210 . 1 1 18 18 LYS HD2 H 1 1.689 0.000 . . . . . A 18 LYS HD2 . 19217 1 211 . 1 1 18 18 LYS HD3 H 1 1.689 0.000 . . . . . A 18 LYS HD3 . 19217 1 212 . 1 1 18 18 LYS HE2 H 1 2.941 0.000 . . . . . A 18 LYS HE2 . 19217 1 213 . 1 1 18 18 LYS HE3 H 1 2.941 0.000 . . . . . A 18 LYS HE3 . 19217 1 214 . 1 1 18 18 LYS CA C 13 58.704 0.000 . . . . . A 18 LYS CA . 19217 1 215 . 1 1 18 18 LYS CB C 13 32.220 0.000 . . . . . A 18 LYS CB . 19217 1 216 . 1 1 18 18 LYS CG C 13 25.068 0.000 . . . . . A 18 LYS CG . 19217 1 217 . 1 1 18 18 LYS CD C 13 29.144 0.000 . . . . . A 18 LYS CD . 19217 1 218 . 1 1 18 18 LYS CE C 13 42.223 0.000 . . . . . A 18 LYS CE . 19217 1 219 . 1 1 18 18 LYS N N 15 117.677 0.000 . . . . . A 18 LYS N . 19217 1 220 . 1 1 19 19 LEU H H 1 7.594 0.000 . . . . . A 19 LEU H . 19217 1 221 . 1 1 19 19 LEU HA H 1 4.075 0.000 . . . . . A 19 LEU HA . 19217 1 222 . 1 1 19 19 LEU HB2 H 1 1.361 0.000 . . . . . A 19 LEU HB2 . 19217 1 223 . 1 1 19 19 LEU HB3 H 1 1.800 0.000 . . . . . A 19 LEU HB3 . 19217 1 224 . 1 1 19 19 LEU HG H 1 1.877 0.000 . . . . . A 19 LEU HG . 19217 1 225 . 1 1 19 19 LEU HD11 H 1 0.793 0.000 . . . . . A 19 LEU HD11 . 19217 1 226 . 1 1 19 19 LEU HD12 H 1 0.793 0.000 . . . . . A 19 LEU HD12 . 19217 1 227 . 1 1 19 19 LEU HD13 H 1 0.793 0.000 . . . . . A 19 LEU HD13 . 19217 1 228 . 1 1 19 19 LEU HD21 H 1 0.816 0.000 . . . . . A 19 LEU HD21 . 19217 1 229 . 1 1 19 19 LEU HD22 H 1 0.816 0.000 . . . . . A 19 LEU HD22 . 19217 1 230 . 1 1 19 19 LEU HD23 H 1 0.816 0.000 . . . . . A 19 LEU HD23 . 19217 1 231 . 1 1 19 19 LEU CA C 13 57.521 0.000 . . . . . A 19 LEU CA . 19217 1 232 . 1 1 19 19 LEU CB C 13 41.955 0.012 . . . . . A 19 LEU CB . 19217 1 233 . 1 1 19 19 LEU CG C 13 26.652 0.000 . . . . . A 19 LEU CG . 19217 1 234 . 1 1 19 19 LEU CD1 C 13 25.518 0.000 . . . . . A 19 LEU CD1 . 19217 1 235 . 1 1 19 19 LEU CD2 C 13 23.550 0.000 . . . . . A 19 LEU CD2 . 19217 1 236 . 1 1 19 19 LEU N N 15 117.430 0.000 . . . . . A 19 LEU N . 19217 1 237 . 1 1 20 20 VAL H H 1 7.662 0.000 . . . . . A 20 VAL H . 19217 1 238 . 1 1 20 20 VAL HA H 1 3.363 0.000 . . . . . A 20 VAL HA . 19217 1 239 . 1 1 20 20 VAL HB H 1 1.878 0.000 . . . . . A 20 VAL HB . 19217 1 240 . 1 1 20 20 VAL HG11 H 1 0.740 0.000 . . . . . A 20 VAL HG11 . 19217 1 241 . 1 1 20 20 VAL HG12 H 1 0.740 0.000 . . . . . A 20 VAL HG12 . 19217 1 242 . 1 1 20 20 VAL HG13 H 1 0.740 0.000 . . . . . A 20 VAL HG13 . 19217 1 243 . 1 1 20 20 VAL HG21 H 1 0.428 0.000 . . . . . A 20 VAL HG21 . 19217 1 244 . 1 1 20 20 VAL HG22 H 1 0.428 0.000 . . . . . A 20 VAL HG22 . 19217 1 245 . 1 1 20 20 VAL HG23 H 1 0.428 0.000 . . . . . A 20 VAL HG23 . 19217 1 246 . 1 1 20 20 VAL CA C 13 66.046 0.000 . . . . . A 20 VAL CA . 19217 1 247 . 1 1 20 20 VAL CB C 13 31.156 0.000 . . . . . A 20 VAL CB . 19217 1 248 . 1 1 20 20 VAL CG1 C 13 20.469 0.000 . . . . . A 20 VAL CG1 . 19217 1 249 . 1 1 20 20 VAL CG2 C 13 23.231 0.000 . . . . . A 20 VAL CG2 . 19217 1 250 . 1 1 20 20 VAL N N 15 118.252 0.000 . . . . . A 20 VAL N . 19217 1 251 . 1 1 21 21 ASP H H 1 7.645 0.000 . . . . . A 21 ASP H . 19217 1 252 . 1 1 21 21 ASP HA H 1 4.470 0.000 . . . . . A 21 ASP HA . 19217 1 253 . 1 1 21 21 ASP HB2 H 1 2.703 0.000 . . . . . A 21 ASP HB2 . 19217 1 254 . 1 1 21 21 ASP HB3 H 1 2.759 0.000 . . . . . A 21 ASP HB3 . 19217 1 255 . 1 1 21 21 ASP CA C 13 56.646 0.000 . . . . . A 21 ASP CA . 19217 1 256 . 1 1 21 21 ASP CB C 13 40.915 0.000 . . . . . A 21 ASP CB . 19217 1 257 . 1 1 21 21 ASP N N 15 119.557 0.000 . . . . . A 21 ASP N . 19217 1 258 . 1 1 22 22 LYS H H 1 7.782 0.000 . . . . . A 22 LYS H . 19217 1 259 . 1 1 22 22 LYS HA H 1 4.555 0.000 . . . . . A 22 LYS HA . 19217 1 260 . 1 1 22 22 LYS HB2 H 1 1.944 0.000 . . . . . A 22 LYS HB2 . 19217 1 261 . 1 1 22 22 LYS HB3 H 1 2.125 0.000 . . . . . A 22 LYS HB3 . 19217 1 262 . 1 1 22 22 LYS HG2 H 1 1.571 0.000 . . . . . A 22 LYS HG2 . 19217 1 263 . 1 1 22 22 LYS HG3 H 1 1.668 0.000 . . . . . A 22 LYS HG3 . 19217 1 264 . 1 1 22 22 LYS HD2 H 1 1.714 0.000 . . . . . A 22 LYS HD2 . 19217 1 265 . 1 1 22 22 LYS HD3 H 1 1.714 0.000 . . . . . A 22 LYS HD3 . 19217 1 266 . 1 1 22 22 LYS HE2 H 1 3.008 0.000 . . . . . A 22 LYS HE2 . 19217 1 267 . 1 1 22 22 LYS HE3 H 1 3.008 0.000 . . . . . A 22 LYS HE3 . 19217 1 268 . 1 1 22 22 LYS CA C 13 56.271 0.000 . . . . . A 22 LYS CA . 19217 1 269 . 1 1 22 22 LYS CB C 13 33.805 0.001 . . . . . A 22 LYS CB . 19217 1 270 . 1 1 22 22 LYS CG C 13 25.278 0.002 . . . . . A 22 LYS CG . 19217 1 271 . 1 1 22 22 LYS CD C 13 29.149 0.004 . . . . . A 22 LYS CD . 19217 1 272 . 1 1 22 22 LYS CE C 13 42.273 0.000 . . . . . A 22 LYS CE . 19217 1 273 . 1 1 22 22 LYS N N 15 117.493 0.000 . . . . . A 22 LYS N . 19217 1 274 . 1 1 23 23 TYR H H 1 7.738 0.000 . . . . . A 23 TYR H . 19217 1 275 . 1 1 23 23 TYR HA H 1 3.699 0.000 . . . . . A 23 TYR HA . 19217 1 276 . 1 1 23 23 TYR HB2 H 1 3.214 0.000 . . . . . A 23 TYR HB2 . 19217 1 277 . 1 1 23 23 TYR HB3 H 1 3.214 0.000 . . . . . A 23 TYR HB3 . 19217 1 278 . 1 1 23 23 TYR HD1 H 1 6.912 0.000 . . . . . A 23 TYR HD1 . 19217 1 279 . 1 1 23 23 TYR HD2 H 1 6.912 0.000 . . . . . A 23 TYR HD2 . 19217 1 280 . 1 1 23 23 TYR HE1 H 1 6.866 0.000 . . . . . A 23 TYR HE1 . 19217 1 281 . 1 1 23 23 TYR HE2 H 1 6.866 0.000 . . . . . A 23 TYR HE2 . 19217 1 282 . 1 1 23 23 TYR CA C 13 63.376 0.000 . . . . . A 23 TYR CA . 19217 1 283 . 1 1 23 23 TYR CB C 13 40.332 0.000 . . . . . A 23 TYR CB . 19217 1 284 . 1 1 23 23 TYR CD1 C 13 133.220 0.000 . . . . . A 23 TYR CD1 . 19217 1 285 . 1 1 23 23 TYR CD2 C 13 133.220 0.000 . . . . . A 23 TYR CD2 . 19217 1 286 . 1 1 23 23 TYR CE1 C 13 118.061 0.000 . . . . . A 23 TYR CE1 . 19217 1 287 . 1 1 23 23 TYR CE2 C 13 118.061 0.000 . . . . . A 23 TYR CE2 . 19217 1 288 . 1 1 23 23 TYR N N 15 121.877 0.000 . . . . . A 23 TYR N . 19217 1 289 . 1 1 24 24 ARG H H 1 8.577 0.000 . . . . . A 24 ARG H . 19217 1 290 . 1 1 24 24 ARG HA H 1 4.142 0.000 . . . . . A 24 ARG HA . 19217 1 291 . 1 1 24 24 ARG HB2 H 1 1.963 0.000 . . . . . A 24 ARG HB2 . 19217 1 292 . 1 1 24 24 ARG HB3 H 1 1.963 0.000 . . . . . A 24 ARG HB3 . 19217 1 293 . 1 1 24 24 ARG HG2 H 1 1.883 0.000 . . . . . A 24 ARG HG2 . 19217 1 294 . 1 1 24 24 ARG HG3 H 1 1.968 0.000 . . . . . A 24 ARG HG3 . 19217 1 295 . 1 1 24 24 ARG HD2 H 1 3.313 0.000 . . . . . A 24 ARG HD2 . 19217 1 296 . 1 1 24 24 ARG HD3 H 1 3.363 0.000 . . . . . A 24 ARG HD3 . 19217 1 297 . 1 1 24 24 ARG HE H 1 7.562 0.000 . . . . . A 24 ARG HE . 19217 1 298 . 1 1 24 24 ARG CA C 13 57.874 0.000 . . . . . A 24 ARG CA . 19217 1 299 . 1 1 24 24 ARG CB C 13 29.799 0.000 . . . . . A 24 ARG CB . 19217 1 300 . 1 1 24 24 ARG CG C 13 27.821 0.002 . . . . . A 24 ARG CG . 19217 1 301 . 1 1 24 24 ARG CD C 13 43.392 0.001 . . . . . A 24 ARG CD . 19217 1 302 . 1 1 24 24 ARG N N 15 111.739 0.000 . . . . . A 24 ARG N . 19217 1 303 . 1 1 25 25 ASN H H 1 7.711 0.000 . . . . . A 25 ASN H . 19217 1 304 . 1 1 25 25 ASN HA H 1 5.020 0.000 . . . . . A 25 ASN HA . 19217 1 305 . 1 1 25 25 ASN HB2 H 1 2.687 0.000 . . . . . A 25 ASN HB2 . 19217 1 306 . 1 1 25 25 ASN HB3 H 1 2.904 0.000 . . . . . A 25 ASN HB3 . 19217 1 307 . 1 1 25 25 ASN HD21 H 1 6.889 0.000 . . . . . A 25 ASN HD21 . 19217 1 308 . 1 1 25 25 ASN HD22 H 1 7.617 0.000 . . . . . A 25 ASN HD22 . 19217 1 309 . 1 1 25 25 ASN CA C 13 53.315 0.000 . . . . . A 25 ASN CA . 19217 1 310 . 1 1 25 25 ASN CB C 13 40.874 0.000 . . . . . A 25 ASN CB . 19217 1 311 . 1 1 25 25 ASN N N 15 113.359 0.000 . . . . . A 25 ASN N . 19217 1 312 . 1 1 25 25 ASN ND2 N 15 112.222 0.002 . . . . . A 25 ASN ND2 . 19217 1 313 . 1 1 26 26 ASP H H 1 7.424 0.000 . . . . . A 26 ASP H . 19217 1 314 . 1 1 26 26 ASP HA H 1 4.931 0.000 . . . . . A 26 ASP HA . 19217 1 315 . 1 1 26 26 ASP HB2 H 1 2.449 0.000 . . . . . A 26 ASP HB2 . 19217 1 316 . 1 1 26 26 ASP HB3 H 1 2.898 0.000 . . . . . A 26 ASP HB3 . 19217 1 317 . 1 1 26 26 ASP CA C 13 53.596 0.000 . . . . . A 26 ASP CA . 19217 1 318 . 1 1 26 26 ASP CB C 13 43.635 0.004 . . . . . A 26 ASP CB . 19217 1 319 . 1 1 26 26 ASP N N 15 120.181 0.000 . . . . . A 26 ASP N . 19217 1 320 . 1 1 27 27 GLU H H 1 9.073 0.000 . . . . . A 27 GLU H . 19217 1 321 . 1 1 27 27 GLU HA H 1 3.802 0.000 . . . . . A 27 GLU HA . 19217 1 322 . 1 1 27 27 GLU HB2 H 1 2.039 0.000 . . . . . A 27 GLU HB2 . 19217 1 323 . 1 1 27 27 GLU HB3 H 1 1.945 0.000 . . . . . A 27 GLU HB3 . 19217 1 324 . 1 1 27 27 GLU HG2 H 1 2.119 0.000 . . . . . A 27 GLU HG2 . 19217 1 325 . 1 1 27 27 GLU HG3 H 1 2.149 0.000 . . . . . A 27 GLU HG3 . 19217 1 326 . 1 1 27 27 GLU CA C 13 59.190 0.000 . . . . . A 27 GLU CA . 19217 1 327 . 1 1 27 27 GLU CB C 13 29.759 0.008 . . . . . A 27 GLU CB . 19217 1 328 . 1 1 27 27 GLU CG C 13 35.623 0.006 . . . . . A 27 GLU CG . 19217 1 329 . 1 1 27 27 GLU N N 15 126.678 0.000 . . . . . A 27 GLU N . 19217 1 330 . 1 1 28 28 HIS H H 1 8.585 0.000 . . . . . A 28 HIS H . 19217 1 331 . 1 1 28 28 HIS HA H 1 4.411 0.000 . . . . . A 28 HIS HA . 19217 1 332 . 1 1 28 28 HIS HB3 H 1 3.404 0.016 . . . . . A 28 HIS HB3 . 19217 1 333 . 1 1 28 28 HIS HD2 H 1 7.355 0.000 . . . . . A 28 HIS HD2 . 19217 1 334 . 1 1 28 28 HIS CA C 13 58.777 0.000 . . . . . A 28 HIS CA . 19217 1 335 . 1 1 28 28 HIS CB C 13 27.817 0.002 . . . . . A 28 HIS CB . 19217 1 336 . 1 1 28 28 HIS CD2 C 13 119.956 0.000 . . . . . A 28 HIS CD2 . 19217 1 337 . 1 1 28 28 HIS N N 15 118.927 0.000 . . . . . A 28 HIS N . 19217 1 338 . 1 1 29 29 VAL H H 1 7.811 0.000 . . . . . A 29 VAL H . 19217 1 339 . 1 1 29 29 VAL HA H 1 3.440 0.000 . . . . . A 29 VAL HA . 19217 1 340 . 1 1 29 29 VAL HB H 1 2.231 0.000 . . . . . A 29 VAL HB . 19217 1 341 . 1 1 29 29 VAL HG11 H 1 1.085 0.000 . . . . . A 29 VAL HG11 . 19217 1 342 . 1 1 29 29 VAL HG12 H 1 1.085 0.000 . . . . . A 29 VAL HG12 . 19217 1 343 . 1 1 29 29 VAL HG13 H 1 1.085 0.000 . . . . . A 29 VAL HG13 . 19217 1 344 . 1 1 29 29 VAL HG21 H 1 1.026 0.000 . . . . . A 29 VAL HG21 . 19217 1 345 . 1 1 29 29 VAL HG22 H 1 1.026 0.000 . . . . . A 29 VAL HG22 . 19217 1 346 . 1 1 29 29 VAL HG23 H 1 1.026 0.000 . . . . . A 29 VAL HG23 . 19217 1 347 . 1 1 29 29 VAL CA C 13 66.677 0.000 . . . . . A 29 VAL CA . 19217 1 348 . 1 1 29 29 VAL CB C 13 31.504 0.000 . . . . . A 29 VAL CB . 19217 1 349 . 1 1 29 29 VAL CG1 C 13 22.376 0.000 . . . . . A 29 VAL CG1 . 19217 1 350 . 1 1 29 29 VAL CG2 C 13 23.284 0.000 . . . . . A 29 VAL CG2 . 19217 1 351 . 1 1 29 29 VAL N N 15 120.860 0.000 . . . . . A 29 VAL N . 19217 1 352 . 1 1 30 30 ARG H H 1 7.919 0.000 . . . . . A 30 ARG H . 19217 1 353 . 1 1 30 30 ARG HA H 1 3.876 0.000 . . . . . A 30 ARG HA . 19217 1 354 . 1 1 30 30 ARG HB2 H 1 1.464 0.000 . . . . . A 30 ARG HB2 . 19217 1 355 . 1 1 30 30 ARG HB3 H 1 1.818 0.000 . . . . . A 30 ARG HB3 . 19217 1 356 . 1 1 30 30 ARG HG2 H 1 -0.011 0.000 . . . . . A 30 ARG HG2 . 19217 1 357 . 1 1 30 30 ARG HG3 H 1 1.386 0.000 . . . . . A 30 ARG HG3 . 19217 1 358 . 1 1 30 30 ARG HD2 H 1 2.944 0.000 . . . . . A 30 ARG HD2 . 19217 1 359 . 1 1 30 30 ARG HD3 H 1 2.944 0.000 . . . . . A 30 ARG HD3 . 19217 1 360 . 1 1 30 30 ARG HE H 1 7.399 0.000 . . . . . A 30 ARG HE . 19217 1 361 . 1 1 30 30 ARG CA C 13 60.274 0.000 . . . . . A 30 ARG CA . 19217 1 362 . 1 1 30 30 ARG CB C 13 30.055 0.003 . . . . . A 30 ARG CB . 19217 1 363 . 1 1 30 30 ARG CG C 13 27.240 0.010 . . . . . A 30 ARG CG . 19217 1 364 . 1 1 30 30 ARG CD C 13 42.103 0.000 . . . . . A 30 ARG CD . 19217 1 365 . 1 1 30 30 ARG N N 15 119.042 0.000 . . . . . A 30 ARG N . 19217 1 366 . 1 1 31 31 LYS H H 1 7.583 0.000 . . . . . A 31 LYS H . 19217 1 367 . 1 1 31 31 LYS HA H 1 4.126 0.000 . . . . . A 31 LYS HA . 19217 1 368 . 1 1 31 31 LYS HB2 H 1 1.978 0.000 . . . . . A 31 LYS HB2 . 19217 1 369 . 1 1 31 31 LYS HB3 H 1 1.978 0.000 . . . . . A 31 LYS HB3 . 19217 1 370 . 1 1 31 31 LYS HG2 H 1 1.633 0.000 . . . . . A 31 LYS HG2 . 19217 1 371 . 1 1 31 31 LYS HG3 H 1 1.510 0.000 . . . . . A 31 LYS HG3 . 19217 1 372 . 1 1 31 31 LYS HD2 H 1 1.740 0.000 . . . . . A 31 LYS HD2 . 19217 1 373 . 1 1 31 31 LYS HD3 H 1 1.740 0.000 . . . . . A 31 LYS HD3 . 19217 1 374 . 1 1 31 31 LYS HE2 H 1 3.002 0.000 . . . . . A 31 LYS HE2 . 19217 1 375 . 1 1 31 31 LYS HE3 H 1 3.002 0.000 . . . . . A 31 LYS HE3 . 19217 1 376 . 1 1 31 31 LYS CA C 13 59.585 0.000 . . . . . A 31 LYS CA . 19217 1 377 . 1 1 31 31 LYS CB C 13 32.463 0.000 . . . . . A 31 LYS CB . 19217 1 378 . 1 1 31 31 LYS CG C 13 25.162 0.004 . . . . . A 31 LYS CG . 19217 1 379 . 1 1 31 31 LYS CD C 13 29.238 0.000 . . . . . A 31 LYS CD . 19217 1 380 . 1 1 31 31 LYS CE C 13 42.211 0.000 . . . . . A 31 LYS CE . 19217 1 381 . 1 1 31 31 LYS N N 15 116.630 0.000 . . . . . A 31 LYS N . 19217 1 382 . 1 1 32 32 VAL H H 1 7.576 0.000 . . . . . A 32 VAL H . 19217 1 383 . 1 1 32 32 VAL HA H 1 3.785 0.000 . . . . . A 32 VAL HA . 19217 1 384 . 1 1 32 32 VAL HB H 1 2.166 0.000 . . . . . A 32 VAL HB . 19217 1 385 . 1 1 32 32 VAL HG11 H 1 0.966 0.000 . . . . . A 32 VAL HG11 . 19217 1 386 . 1 1 32 32 VAL HG12 H 1 0.966 0.000 . . . . . A 32 VAL HG12 . 19217 1 387 . 1 1 32 32 VAL HG13 H 1 0.966 0.000 . . . . . A 32 VAL HG13 . 19217 1 388 . 1 1 32 32 VAL HG21 H 1 0.845 0.000 . . . . . A 32 VAL HG21 . 19217 1 389 . 1 1 32 32 VAL HG22 H 1 0.845 0.000 . . . . . A 32 VAL HG22 . 19217 1 390 . 1 1 32 32 VAL HG23 H 1 0.845 0.000 . . . . . A 32 VAL HG23 . 19217 1 391 . 1 1 32 32 VAL CA C 13 66.099 0.000 . . . . . A 32 VAL CA . 19217 1 392 . 1 1 32 32 VAL CB C 13 32.270 0.000 . . . . . A 32 VAL CB . 19217 1 393 . 1 1 32 32 VAL CG1 C 13 22.606 0.000 . . . . . A 32 VAL CG1 . 19217 1 394 . 1 1 32 32 VAL CG2 C 13 20.856 0.000 . . . . . A 32 VAL CG2 . 19217 1 395 . 1 1 32 32 VAL N N 15 118.507 0.000 . . . . . A 32 VAL N . 19217 1 396 . 1 1 33 33 PHE H H 1 9.246 0.000 . . . . . A 33 PHE H . 19217 1 397 . 1 1 33 33 PHE HA H 1 4.276 0.000 . . . . . A 33 PHE HA . 19217 1 398 . 1 1 33 33 PHE HB2 H 1 3.249 0.000 . . . . . A 33 PHE HB2 . 19217 1 399 . 1 1 33 33 PHE HB3 H 1 3.281 0.000 . . . . . A 33 PHE HB3 . 19217 1 400 . 1 1 33 33 PHE HD1 H 1 7.231 0.000 . . . . . A 33 PHE HD1 . 19217 1 401 . 1 1 33 33 PHE HD2 H 1 7.231 0.000 . . . . . A 33 PHE HD2 . 19217 1 402 . 1 1 33 33 PHE HE1 H 1 7.054 0.000 . . . . . A 33 PHE HE1 . 19217 1 403 . 1 1 33 33 PHE HE2 H 1 7.054 0.000 . . . . . A 33 PHE HE2 . 19217 1 404 . 1 1 33 33 PHE HZ H 1 6.832 0.000 . . . . . A 33 PHE HZ . 19217 1 405 . 1 1 33 33 PHE CA C 13 61.515 0.000 . . . . . A 33 PHE CA . 19217 1 406 . 1 1 33 33 PHE CB C 13 39.353 0.000 . . . . . A 33 PHE CB . 19217 1 407 . 1 1 33 33 PHE CD1 C 13 130.885 0.000 . . . . . A 33 PHE CD1 . 19217 1 408 . 1 1 33 33 PHE CD2 C 13 130.885 0.000 . . . . . A 33 PHE CD2 . 19217 1 409 . 1 1 33 33 PHE CE1 C 13 130.993 0.000 . . . . . A 33 PHE CE1 . 19217 1 410 . 1 1 33 33 PHE CE2 C 13 130.993 0.000 . . . . . A 33 PHE CE2 . 19217 1 411 . 1 1 33 33 PHE CZ C 13 128.330 0.000 . . . . . A 33 PHE CZ . 19217 1 412 . 1 1 33 33 PHE N N 15 120.874 0.000 . . . . . A 33 PHE N . 19217 1 413 . 1 1 34 34 ASP H H 1 9.507 0.000 . . . . . A 34 ASP H . 19217 1 414 . 1 1 34 34 ASP HA H 1 4.528 0.000 . . . . . A 34 ASP HA . 19217 1 415 . 1 1 34 34 ASP HB2 H 1 2.804 0.000 . . . . . A 34 ASP HB2 . 19217 1 416 . 1 1 34 34 ASP HB3 H 1 3.041 0.000 . . . . . A 34 ASP HB3 . 19217 1 417 . 1 1 34 34 ASP CA C 13 58.608 0.000 . . . . . A 34 ASP CA . 19217 1 418 . 1 1 34 34 ASP CB C 13 39.921 0.001 . . . . . A 34 ASP CB . 19217 1 419 . 1 1 34 34 ASP N N 15 119.331 0.000 . . . . . A 34 ASP N . 19217 1 420 . 1 1 35 35 GLU H H 1 7.334 0.000 . . . . . A 35 GLU H . 19217 1 421 . 1 1 35 35 GLU HA H 1 4.201 0.000 . . . . . A 35 GLU HA . 19217 1 422 . 1 1 35 35 GLU HB2 H 1 2.151 0.000 . . . . . A 35 GLU HB2 . 19217 1 423 . 1 1 35 35 GLU HB3 H 1 2.224 0.000 . . . . . A 35 GLU HB3 . 19217 1 424 . 1 1 35 35 GLU HG2 H 1 2.458 0.000 . . . . . A 35 GLU HG2 . 19217 1 425 . 1 1 35 35 GLU HG3 H 1 2.249 0.000 . . . . . A 35 GLU HG3 . 19217 1 426 . 1 1 35 35 GLU CA C 13 59.722 0.000 . . . . . A 35 GLU CA . 19217 1 427 . 1 1 35 35 GLU CB C 13 29.559 0.006 . . . . . A 35 GLU CB . 19217 1 428 . 1 1 35 35 GLU CG C 13 36.439 0.008 . . . . . A 35 GLU CG . 19217 1 429 . 1 1 35 35 GLU N N 15 118.378 0.000 . . . . . A 35 GLU N . 19217 1 430 . 1 1 36 36 ILE H H 1 8.054 0.000 . . . . . A 36 ILE H . 19217 1 431 . 1 1 36 36 ILE HA H 1 3.443 0.000 . . . . . A 36 ILE HA . 19217 1 432 . 1 1 36 36 ILE HB H 1 1.792 0.000 . . . . . A 36 ILE HB . 19217 1 433 . 1 1 36 36 ILE HG12 H 1 1.939 0.000 . . . . . A 36 ILE HG12 . 19217 1 434 . 1 1 36 36 ILE HG13 H 1 0.861 0.000 . . . . . A 36 ILE HG13 . 19217 1 435 . 1 1 36 36 ILE HG21 H 1 0.713 0.000 . . . . . A 36 ILE HG21 . 19217 1 436 . 1 1 36 36 ILE HG22 H 1 0.713 0.000 . . . . . A 36 ILE HG22 . 19217 1 437 . 1 1 36 36 ILE HG23 H 1 0.713 0.000 . . . . . A 36 ILE HG23 . 19217 1 438 . 1 1 36 36 ILE HD11 H 1 0.557 0.000 . . . . . A 36 ILE HD11 . 19217 1 439 . 1 1 36 36 ILE HD12 H 1 0.557 0.000 . . . . . A 36 ILE HD12 . 19217 1 440 . 1 1 36 36 ILE HD13 H 1 0.557 0.000 . . . . . A 36 ILE HD13 . 19217 1 441 . 1 1 36 36 ILE CA C 13 66.761 0.000 . . . . . A 36 ILE CA . 19217 1 442 . 1 1 36 36 ILE CB C 13 38.452 0.000 . . . . . A 36 ILE CB . 19217 1 443 . 1 1 36 36 ILE CG1 C 13 29.524 0.009 . . . . . A 36 ILE CG1 . 19217 1 444 . 1 1 36 36 ILE CG2 C 13 16.627 0.000 . . . . . A 36 ILE CG2 . 19217 1 445 . 1 1 36 36 ILE CD1 C 13 13.748 0.000 . . . . . A 36 ILE CD1 . 19217 1 446 . 1 1 36 36 ILE N N 15 119.241 0.000 . . . . . A 36 ILE N . 19217 1 447 . 1 1 37 37 GLN H H 1 8.517 0.000 . . . . . A 37 GLN H . 19217 1 448 . 1 1 37 37 GLN HA H 1 4.405 0.000 . . . . . A 37 GLN HA . 19217 1 449 . 1 1 37 37 GLN HB2 H 1 2.806 0.000 . . . . . A 37 GLN HB2 . 19217 1 450 . 1 1 37 37 GLN HB3 H 1 2.065 0.000 . . . . . A 37 GLN HB3 . 19217 1 451 . 1 1 37 37 GLN HG2 H 1 2.766 0.000 . . . . . A 37 GLN HG2 . 19217 1 452 . 1 1 37 37 GLN HG3 H 1 2.614 0.000 . . . . . A 37 GLN HG3 . 19217 1 453 . 1 1 37 37 GLN HE21 H 1 5.245 0.000 . . . . . A 37 GLN HE21 . 19217 1 454 . 1 1 37 37 GLN HE22 H 1 7.024 0.000 . . . . . A 37 GLN HE22 . 19217 1 455 . 1 1 37 37 GLN CA C 13 60.016 0.000 . . . . . A 37 GLN CA . 19217 1 456 . 1 1 37 37 GLN CB C 13 28.383 0.014 . . . . . A 37 GLN CB . 19217 1 457 . 1 1 37 37 GLN CG C 13 38.506 0.002 . . . . . A 37 GLN CG . 19217 1 458 . 1 1 37 37 GLN N N 15 117.541 0.000 . . . . . A 37 GLN N . 19217 1 459 . 1 1 37 37 GLN NE2 N 15 108.877 0.002 . . . . . A 37 GLN NE2 . 19217 1 460 . 1 1 38 38 GLN H H 1 8.023 0.000 . . . . . A 38 GLN H . 19217 1 461 . 1 1 38 38 GLN HA H 1 4.244 0.000 . . . . . A 38 GLN HA . 19217 1 462 . 1 1 38 38 GLN HB2 H 1 2.209 0.000 . . . . . A 38 GLN HB2 . 19217 1 463 . 1 1 38 38 GLN HB3 H 1 2.357 0.000 . . . . . A 38 GLN HB3 . 19217 1 464 . 1 1 38 38 GLN HG2 H 1 2.571 0.000 . . . . . A 38 GLN HG2 . 19217 1 465 . 1 1 38 38 GLN HG3 H 1 2.760 0.000 . . . . . A 38 GLN HG3 . 19217 1 466 . 1 1 38 38 GLN HE21 H 1 8.195 0.000 . . . . . A 38 GLN HE21 . 19217 1 467 . 1 1 38 38 GLN HE22 H 1 6.962 0.000 . . . . . A 38 GLN HE22 . 19217 1 468 . 1 1 38 38 GLN CA C 13 58.522 0.000 . . . . . A 38 GLN CA . 19217 1 469 . 1 1 38 38 GLN CB C 13 30.195 0.002 . . . . . A 38 GLN CB . 19217 1 470 . 1 1 38 38 GLN CG C 13 35.636 0.000 . . . . . A 38 GLN CG . 19217 1 471 . 1 1 38 38 GLN N N 15 113.900 0.000 . . . . . A 38 GLN N . 19217 1 472 . 1 1 38 38 GLN NE2 N 15 116.892 0.006 . . . . . A 38 GLN NE2 . 19217 1 473 . 1 1 39 39 LYS H H 1 8.480 0.000 . . . . . A 39 LYS H . 19217 1 474 . 1 1 39 39 LYS HA H 1 4.156 0.000 . . . . . A 39 LYS HA . 19217 1 475 . 1 1 39 39 LYS HB2 H 1 1.959 0.000 . . . . . A 39 LYS HB2 . 19217 1 476 . 1 1 39 39 LYS HB3 H 1 1.712 0.000 . . . . . A 39 LYS HB3 . 19217 1 477 . 1 1 39 39 LYS HG2 H 1 1.618 0.000 . . . . . A 39 LYS HG2 . 19217 1 478 . 1 1 39 39 LYS HG3 H 1 1.469 0.000 . . . . . A 39 LYS HG3 . 19217 1 479 . 1 1 39 39 LYS HD2 H 1 1.652 0.000 . . . . . A 39 LYS HD2 . 19217 1 480 . 1 1 39 39 LYS HD3 H 1 1.652 0.000 . . . . . A 39 LYS HD3 . 19217 1 481 . 1 1 39 39 LYS HE2 H 1 2.979 0.000 . . . . . A 39 LYS HE2 . 19217 1 482 . 1 1 39 39 LYS HE3 H 1 2.979 0.000 . . . . . A 39 LYS HE3 . 19217 1 483 . 1 1 39 39 LYS CA C 13 58.883 0.000 . . . . . A 39 LYS CA . 19217 1 484 . 1 1 39 39 LYS CB C 13 32.919 0.002 . . . . . A 39 LYS CB . 19217 1 485 . 1 1 39 39 LYS CG C 13 26.069 0.002 . . . . . A 39 LYS CG . 19217 1 486 . 1 1 39 39 LYS CD C 13 29.156 0.000 . . . . . A 39 LYS CD . 19217 1 487 . 1 1 39 39 LYS CE C 13 42.277 0.000 . . . . . A 39 LYS CE . 19217 1 488 . 1 1 39 39 LYS N N 15 117.850 0.000 . . . . . A 39 LYS N . 19217 1 489 . 1 1 40 40 LEU H H 1 8.427 0.000 . . . . . A 40 LEU H . 19217 1 490 . 1 1 40 40 LEU HA H 1 4.183 0.000 . . . . . A 40 LEU HA . 19217 1 491 . 1 1 40 40 LEU HB2 H 1 1.272 0.000 . . . . . A 40 LEU HB2 . 19217 1 492 . 1 1 40 40 LEU HB3 H 1 1.945 0.000 . . . . . A 40 LEU HB3 . 19217 1 493 . 1 1 40 40 LEU HG H 1 1.624 0.000 . . . . . A 40 LEU HG . 19217 1 494 . 1 1 40 40 LEU HD11 H 1 0.724 0.000 . . . . . A 40 LEU HD11 . 19217 1 495 . 1 1 40 40 LEU HD12 H 1 0.724 0.000 . . . . . A 40 LEU HD12 . 19217 1 496 . 1 1 40 40 LEU HD13 H 1 0.724 0.000 . . . . . A 40 LEU HD13 . 19217 1 497 . 1 1 40 40 LEU HD21 H 1 0.728 0.000 . . . . . A 40 LEU HD21 . 19217 1 498 . 1 1 40 40 LEU HD22 H 1 0.728 0.000 . . . . . A 40 LEU HD22 . 19217 1 499 . 1 1 40 40 LEU HD23 H 1 0.728 0.000 . . . . . A 40 LEU HD23 . 19217 1 500 . 1 1 40 40 LEU CA C 13 54.230 0.000 . . . . . A 40 LEU CA . 19217 1 501 . 1 1 40 40 LEU CB C 13 41.789 0.000 . . . . . A 40 LEU CB . 19217 1 502 . 1 1 40 40 LEU CG C 13 27.258 0.000 . . . . . A 40 LEU CG . 19217 1 503 . 1 1 40 40 LEU CD1 C 13 22.797 0.000 . . . . . A 40 LEU CD1 . 19217 1 504 . 1 1 40 40 LEU CD2 C 13 26.484 0.000 . . . . . A 40 LEU CD2 . 19217 1 505 . 1 1 40 40 LEU N N 15 114.726 0.000 . . . . . A 40 LEU N . 19217 1 506 . 1 1 41 41 HIS H H 1 7.466 0.000 . . . . . A 41 HIS H . 19217 1 507 . 1 1 41 41 HIS HA H 1 2.445 0.000 . . . . . A 41 HIS HA . 19217 1 508 . 1 1 41 41 HIS HB2 H 1 2.265 0.000 . . . . . A 41 HIS HB2 . 19217 1 509 . 1 1 41 41 HIS HB3 H 1 3.267 0.000 . . . . . A 41 HIS HB3 . 19217 1 510 . 1 1 41 41 HIS HD2 H 1 7.052 0.000 . . . . . A 41 HIS HD2 . 19217 1 511 . 1 1 41 41 HIS CA C 13 53.723 0.000 . . . . . A 41 HIS CA . 19217 1 512 . 1 1 41 41 HIS CB C 13 25.218 0.014 . . . . . A 41 HIS CB . 19217 1 513 . 1 1 41 41 HIS CD2 C 13 118.661 0.000 . . . . . A 41 HIS CD2 . 19217 1 514 . 1 1 41 41 HIS N N 15 115.299 0.000 . . . . . A 41 HIS N . 19217 1 515 . 1 1 42 42 CYS H H 1 8.205 0.000 . . . . . A 42 CYS H . 19217 1 516 . 1 1 42 42 CYS HA H 1 5.064 0.000 . . . . . A 42 CYS HA . 19217 1 517 . 1 1 42 42 CYS HB2 H 1 2.749 0.000 . . . . . A 42 CYS HB2 . 19217 1 518 . 1 1 42 42 CYS HB3 H 1 2.860 0.000 . . . . . A 42 CYS HB3 . 19217 1 519 . 1 1 42 42 CYS CA C 13 53.833 0.000 . . . . . A 42 CYS CA . 19217 1 520 . 1 1 42 42 CYS CB C 13 47.778 0.007 . . . . . A 42 CYS CB . 19217 1 521 . 1 1 42 42 CYS N N 15 116.999 0.000 . . . . . A 42 CYS N . 19217 1 522 . 1 1 43 43 CYS H H 1 9.131 0.000 . . . . . A 43 CYS H . 19217 1 523 . 1 1 43 43 CYS HA H 1 5.142 0.000 . . . . . A 43 CYS HA . 19217 1 524 . 1 1 43 43 CYS HB2 H 1 2.789 0.000 . . . . . A 43 CYS HB2 . 19217 1 525 . 1 1 43 43 CYS HB3 H 1 3.054 0.000 . . . . . A 43 CYS HB3 . 19217 1 526 . 1 1 43 43 CYS CA C 13 54.441 0.000 . . . . . A 43 CYS CA . 19217 1 527 . 1 1 43 43 CYS CB C 13 42.928 0.003 . . . . . A 43 CYS CB . 19217 1 528 . 1 1 43 43 CYS N N 15 117.175 0.000 . . . . . A 43 CYS N . 19217 1 529 . 1 1 44 44 GLY H H 1 8.913 0.000 . . . . . A 44 GLY H . 19217 1 530 . 1 1 44 44 GLY HA2 H 1 3.176 0.000 . . . . . A 44 GLY HA2 . 19217 1 531 . 1 1 44 44 GLY HA3 H 1 4.314 0.000 . . . . . A 44 GLY HA3 . 19217 1 532 . 1 1 44 44 GLY CA C 13 43.550 0.020 . . . . . A 44 GLY CA . 19217 1 533 . 1 1 44 44 GLY N N 15 113.879 0.000 . . . . . A 44 GLY N . 19217 1 534 . 1 1 45 45 ALA H H 1 9.057 0.000 . . . . . A 45 ALA H . 19217 1 535 . 1 1 45 45 ALA HA H 1 4.524 0.000 . . . . . A 45 ALA HA . 19217 1 536 . 1 1 45 45 ALA HB1 H 1 1.322 0.000 . . . . . A 45 ALA HB1 . 19217 1 537 . 1 1 45 45 ALA HB2 H 1 1.322 0.000 . . . . . A 45 ALA HB2 . 19217 1 538 . 1 1 45 45 ALA HB3 H 1 1.322 0.000 . . . . . A 45 ALA HB3 . 19217 1 539 . 1 1 45 45 ALA CA C 13 53.824 0.000 . . . . . A 45 ALA CA . 19217 1 540 . 1 1 45 45 ALA CB C 13 18.722 0.000 . . . . . A 45 ALA CB . 19217 1 541 . 1 1 45 45 ALA N N 15 122.305 0.000 . . . . . A 45 ALA N . 19217 1 542 . 1 1 46 46 ASP H H 1 9.741 0.000 . . . . . A 46 ASP H . 19217 1 543 . 1 1 46 46 ASP HA H 1 4.613 0.000 . . . . . A 46 ASP HA . 19217 1 544 . 1 1 46 46 ASP HB2 H 1 2.853 0.000 . . . . . A 46 ASP HB2 . 19217 1 545 . 1 1 46 46 ASP HB3 H 1 2.769 0.000 . . . . . A 46 ASP HB3 . 19217 1 546 . 1 1 46 46 ASP CA C 13 57.097 0.000 . . . . . A 46 ASP CA . 19217 1 547 . 1 1 46 46 ASP CB C 13 42.478 0.017 . . . . . A 46 ASP CB . 19217 1 548 . 1 1 46 46 ASP N N 15 119.678 0.000 . . . . . A 46 ASP N . 19217 1 549 . 1 1 47 47 SER H H 1 7.798 0.000 . . . . . A 47 SER H . 19217 1 550 . 1 1 47 47 SER HA H 1 4.654 0.000 . . . . . A 47 SER HA . 19217 1 551 . 1 1 47 47 SER HB2 H 1 4.297 0.000 . . . . . A 47 SER HB2 . 19217 1 552 . 1 1 47 47 SER HB3 H 1 4.297 0.000 . . . . . A 47 SER HB3 . 19217 1 553 . 1 1 47 47 SER CA C 13 57.626 0.000 . . . . . A 47 SER CA . 19217 1 554 . 1 1 47 47 SER CB C 13 64.037 0.000 . . . . . A 47 SER CB . 19217 1 555 . 1 1 47 47 SER N N 15 112.389 0.000 . . . . . A 47 SER N . 19217 1 556 . 1 1 48 48 PRO HA H 1 4.145 0.000 . . . . . A 48 PRO HA . 19217 1 557 . 1 1 48 48 PRO HB2 H 1 2.360 0.000 . . . . . A 48 PRO HB2 . 19217 1 558 . 1 1 48 48 PRO HB3 H 1 1.949 0.000 . . . . . A 48 PRO HB3 . 19217 1 559 . 1 1 48 48 PRO HG2 H 1 1.926 0.000 . . . . . A 48 PRO HG2 . 19217 1 560 . 1 1 48 48 PRO HG3 H 1 2.159 0.000 . . . . . A 48 PRO HG3 . 19217 1 561 . 1 1 48 48 PRO HD2 H 1 3.599 0.000 . . . . . A 48 PRO HD2 . 19217 1 562 . 1 1 48 48 PRO HD3 H 1 3.895 0.000 . . . . . A 48 PRO HD3 . 19217 1 563 . 1 1 48 48 PRO CA C 13 65.130 0.000 . . . . . A 48 PRO CA . 19217 1 564 . 1 1 48 48 PRO CB C 13 32.347 0.002 . . . . . A 48 PRO CB . 19217 1 565 . 1 1 48 48 PRO CG C 13 28.134 0.004 . . . . . A 48 PRO CG . 19217 1 566 . 1 1 48 48 PRO CD C 13 51.063 0.012 . . . . . A 48 PRO CD . 19217 1 567 . 1 1 49 49 LYS H H 1 8.151 0.000 . . . . . A 49 LYS H . 19217 1 568 . 1 1 49 49 LYS HA H 1 4.217 0.000 . . . . . A 49 LYS HA . 19217 1 569 . 1 1 49 49 LYS HB2 H 1 1.689 0.000 . . . . . A 49 LYS HB2 . 19217 1 570 . 1 1 49 49 LYS HB3 H 1 1.935 0.000 . . . . . A 49 LYS HB3 . 19217 1 571 . 1 1 49 49 LYS HG2 H 1 1.439 0.000 . . . . . A 49 LYS HG2 . 19217 1 572 . 1 1 49 49 LYS HG3 H 1 1.542 0.000 . . . . . A 49 LYS HG3 . 19217 1 573 . 1 1 49 49 LYS HD2 H 1 1.659 0.000 . . . . . A 49 LYS HD2 . 19217 1 574 . 1 1 49 49 LYS HD3 H 1 1.659 0.000 . . . . . A 49 LYS HD3 . 19217 1 575 . 1 1 49 49 LYS HE2 H 1 2.974 0.000 . . . . . A 49 LYS HE2 . 19217 1 576 . 1 1 49 49 LYS HE3 H 1 2.974 0.000 . . . . . A 49 LYS HE3 . 19217 1 577 . 1 1 49 49 LYS CA C 13 57.299 0.000 . . . . . A 49 LYS CA . 19217 1 578 . 1 1 49 49 LYS CB C 13 30.913 0.001 . . . . . A 49 LYS CB . 19217 1 579 . 1 1 49 49 LYS CG C 13 25.072 0.004 . . . . . A 49 LYS CG . 19217 1 580 . 1 1 49 49 LYS CD C 13 28.422 0.000 . . . . . A 49 LYS CD . 19217 1 581 . 1 1 49 49 LYS CE C 13 42.180 0.000 . . . . . A 49 LYS CE . 19217 1 582 . 1 1 49 49 LYS N N 15 115.074 0.000 . . . . . A 49 LYS N . 19217 1 583 . 1 1 50 50 ASP H H 1 8.149 0.000 . . . . . A 50 ASP H . 19217 1 584 . 1 1 50 50 ASP HA H 1 4.312 0.000 . . . . . A 50 ASP HA . 19217 1 585 . 1 1 50 50 ASP HB2 H 1 2.517 0.000 . . . . . A 50 ASP HB2 . 19217 1 586 . 1 1 50 50 ASP HB3 H 1 2.162 0.000 . . . . . A 50 ASP HB3 . 19217 1 587 . 1 1 50 50 ASP CA C 13 57.249 0.000 . . . . . A 50 ASP CA . 19217 1 588 . 1 1 50 50 ASP CB C 13 41.481 0.009 . . . . . A 50 ASP CB . 19217 1 589 . 1 1 50 50 ASP N N 15 122.818 0.000 . . . . . A 50 ASP N . 19217 1 590 . 1 1 51 51 TYR H H 1 7.260 0.000 . . . . . A 51 TYR H . 19217 1 591 . 1 1 51 51 TYR HA H 1 4.376 0.000 . . . . . A 51 TYR HA . 19217 1 592 . 1 1 51 51 TYR HB2 H 1 2.365 0.000 . . . . . A 51 TYR HB2 . 19217 1 593 . 1 1 51 51 TYR HB3 H 1 3.174 0.000 . . . . . A 51 TYR HB3 . 19217 1 594 . 1 1 51 51 TYR HD1 H 1 7.021 0.000 . . . . . A 51 TYR HD1 . 19217 1 595 . 1 1 51 51 TYR HD2 H 1 7.021 0.000 . . . . . A 51 TYR HD2 . 19217 1 596 . 1 1 51 51 TYR CA C 13 58.836 0.000 . . . . . A 51 TYR CA . 19217 1 597 . 1 1 51 51 TYR CB C 13 38.904 0.069 . . . . . A 51 TYR CB . 19217 1 598 . 1 1 51 51 TYR CD1 C 13 132.246 0.000 . . . . . A 51 TYR CD1 . 19217 1 599 . 1 1 51 51 TYR CD2 C 13 132.246 0.000 . . . . . A 51 TYR CD2 . 19217 1 600 . 1 1 51 51 TYR N N 15 114.312 0.000 . . . . . A 51 TYR N . 19217 1 601 . 1 1 52 52 GLY H H 1 7.967 0.000 . . . . . A 52 GLY H . 19217 1 602 . 1 1 52 52 GLY HA2 H 1 4.148 0.000 . . . . . A 52 GLY HA2 . 19217 1 603 . 1 1 52 52 GLY HA3 H 1 3.694 0.000 . . . . . A 52 GLY HA3 . 19217 1 604 . 1 1 52 52 GLY CA C 13 45.839 0.008 . . . . . A 52 GLY CA . 19217 1 605 . 1 1 52 52 GLY N N 15 109.793 0.000 . . . . . A 52 GLY N . 19217 1 606 . 1 1 53 53 GLU H H 1 8.788 0.000 . . . . . A 53 GLU H . 19217 1 607 . 1 1 53 53 GLU HA H 1 4.202 0.000 . . . . . A 53 GLU HA . 19217 1 608 . 1 1 53 53 GLU HB2 H 1 1.894 0.000 . . . . . A 53 GLU HB2 . 19217 1 609 . 1 1 53 53 GLU HB3 H 1 2.162 0.000 . . . . . A 53 GLU HB3 . 19217 1 610 . 1 1 53 53 GLU HG2 H 1 2.269 0.000 . . . . . A 53 GLU HG2 . 19217 1 611 . 1 1 53 53 GLU HG3 H 1 2.307 0.000 . . . . . A 53 GLU HG3 . 19217 1 612 . 1 1 53 53 GLU CA C 13 57.105 0.000 . . . . . A 53 GLU CA . 19217 1 613 . 1 1 53 53 GLU CB C 13 30.020 0.002 . . . . . A 53 GLU CB . 19217 1 614 . 1 1 53 53 GLU CG C 13 36.028 0.002 . . . . . A 53 GLU CG . 19217 1 615 . 1 1 53 53 GLU N N 15 123.571 0.000 . . . . . A 53 GLU N . 19217 1 616 . 1 1 54 54 ASN H H 1 7.853 0.000 . . . . . A 54 ASN H . 19217 1 617 . 1 1 54 54 ASN HA H 1 5.222 0.000 . . . . . A 54 ASN HA . 19217 1 618 . 1 1 54 54 ASN HB2 H 1 2.676 0.000 . . . . . A 54 ASN HB2 . 19217 1 619 . 1 1 54 54 ASN HB3 H 1 2.555 0.000 . . . . . A 54 ASN HB3 . 19217 1 620 . 1 1 54 54 ASN HD21 H 1 6.898 0.000 . . . . . A 54 ASN HD21 . 19217 1 621 . 1 1 54 54 ASN HD22 H 1 7.575 0.000 . . . . . A 54 ASN HD22 . 19217 1 622 . 1 1 54 54 ASN CA C 13 50.964 0.000 . . . . . A 54 ASN CA . 19217 1 623 . 1 1 54 54 ASN CB C 13 40.400 0.011 . . . . . A 54 ASN CB . 19217 1 624 . 1 1 54 54 ASN N N 15 115.160 0.000 . . . . . A 54 ASN N . 19217 1 625 . 1 1 54 54 ASN ND2 N 15 113.459 0.007 . . . . . A 54 ASN ND2 . 19217 1 626 . 1 1 55 55 PRO HA H 1 4.045 0.000 . . . . . A 55 PRO HA . 19217 1 627 . 1 1 55 55 PRO HB2 H 1 1.689 0.000 . . . . . A 55 PRO HB2 . 19217 1 628 . 1 1 55 55 PRO HB3 H 1 2.090 0.000 . . . . . A 55 PRO HB3 . 19217 1 629 . 1 1 55 55 PRO HG2 H 1 1.899 0.000 . . . . . A 55 PRO HG2 . 19217 1 630 . 1 1 55 55 PRO HG3 H 1 1.925 0.000 . . . . . A 55 PRO HG3 . 19217 1 631 . 1 1 55 55 PRO HD2 H 1 3.525 0.000 . . . . . A 55 PRO HD2 . 19217 1 632 . 1 1 55 55 PRO HD3 H 1 3.598 0.000 . . . . . A 55 PRO HD3 . 19217 1 633 . 1 1 55 55 PRO CA C 13 61.288 0.000 . . . . . A 55 PRO CA . 19217 1 634 . 1 1 55 55 PRO CB C 13 30.671 0.007 . . . . . A 55 PRO CB . 19217 1 635 . 1 1 55 55 PRO CG C 13 26.888 0.004 . . . . . A 55 PRO CG . 19217 1 636 . 1 1 55 55 PRO CD C 13 50.245 0.002 . . . . . A 55 PRO CD . 19217 1 637 . 1 1 56 56 PRO HA H 1 4.533 0.000 . . . . . A 56 PRO HA . 19217 1 638 . 1 1 56 56 PRO HB2 H 1 2.189 0.000 . . . . . A 56 PRO HB2 . 19217 1 639 . 1 1 56 56 PRO HB3 H 1 2.189 0.000 . . . . . A 56 PRO HB3 . 19217 1 640 . 1 1 56 56 PRO HG2 H 1 1.089 0.000 . . . . . A 56 PRO HG2 . 19217 1 641 . 1 1 56 56 PRO HG3 H 1 1.205 0.000 . . . . . A 56 PRO HG3 . 19217 1 642 . 1 1 56 56 PRO HD2 H 1 2.590 0.000 . . . . . A 56 PRO HD2 . 19217 1 643 . 1 1 56 56 PRO HD3 H 1 1.921 0.000 . . . . . A 56 PRO HD3 . 19217 1 644 . 1 1 56 56 PRO CA C 13 61.694 0.000 . . . . . A 56 PRO CA . 19217 1 645 . 1 1 56 56 PRO CB C 13 33.457 0.000 . . . . . A 56 PRO CB . 19217 1 646 . 1 1 56 56 PRO CG C 13 27.168 0.002 . . . . . A 56 PRO CG . 19217 1 647 . 1 1 56 56 PRO CD C 13 48.589 0.006 . . . . . A 56 PRO CD . 19217 1 648 . 1 1 57 57 THR H H 1 8.894 0.000 . . . . . A 57 THR H . 19217 1 649 . 1 1 57 57 THR HA H 1 3.832 0.000 . . . . . A 57 THR HA . 19217 1 650 . 1 1 57 57 THR HB H 1 4.173 0.000 . . . . . A 57 THR HB . 19217 1 651 . 1 1 57 57 THR HG21 H 1 1.259 0.000 . . . . . A 57 THR HG21 . 19217 1 652 . 1 1 57 57 THR HG22 H 1 1.259 0.000 . . . . . A 57 THR HG22 . 19217 1 653 . 1 1 57 57 THR HG23 H 1 1.259 0.000 . . . . . A 57 THR HG23 . 19217 1 654 . 1 1 57 57 THR CA C 13 65.318 0.000 . . . . . A 57 THR CA . 19217 1 655 . 1 1 57 57 THR CB C 13 68.433 0.000 . . . . . A 57 THR CB . 19217 1 656 . 1 1 57 57 THR CG2 C 13 22.191 0.000 . . . . . A 57 THR CG2 . 19217 1 657 . 1 1 57 57 THR N N 15 116.449 0.000 . . . . . A 57 THR N . 19217 1 658 . 1 1 58 58 SER H H 1 7.839 0.000 . . . . . A 58 SER H . 19217 1 659 . 1 1 58 58 SER HA H 1 4.409 0.000 . . . . . A 58 SER HA . 19217 1 660 . 1 1 58 58 SER HB2 H 1 4.466 0.000 . . . . . A 58 SER HB2 . 19217 1 661 . 1 1 58 58 SER HB3 H 1 3.942 0.000 . . . . . A 58 SER HB3 . 19217 1 662 . 1 1 58 58 SER CA C 13 59.123 0.000 . . . . . A 58 SER CA . 19217 1 663 . 1 1 58 58 SER CB C 13 62.669 0.002 . . . . . A 58 SER CB . 19217 1 664 . 1 1 58 58 SER N N 15 113.767 0.000 . . . . . A 58 SER N . 19217 1 665 . 1 1 59 59 CYS H H 1 7.397 0.000 . . . . . A 59 CYS H . 19217 1 666 . 1 1 59 59 CYS HA H 1 4.782 0.000 . . . . . A 59 CYS HA . 19217 1 667 . 1 1 59 59 CYS HB2 H 1 3.398 0.000 . . . . . A 59 CYS HB2 . 19217 1 668 . 1 1 59 59 CYS HB3 H 1 3.848 0.000 . . . . . A 59 CYS HB3 . 19217 1 669 . 1 1 59 59 CYS CA C 13 60.912 0.000 . . . . . A 59 CYS CA . 19217 1 670 . 1 1 59 59 CYS CB C 13 45.817 0.002 . . . . . A 59 CYS CB . 19217 1 671 . 1 1 59 59 CYS N N 15 117.062 0.000 . . . . . A 59 CYS N . 19217 1 672 . 1 1 60 60 SER H H 1 7.486 0.000 . . . . . A 60 SER H . 19217 1 673 . 1 1 60 60 SER HA H 1 4.258 0.000 . . . . . A 60 SER HA . 19217 1 674 . 1 1 60 60 SER HB2 H 1 3.203 0.000 . . . . . A 60 SER HB2 . 19217 1 675 . 1 1 60 60 SER HB3 H 1 3.251 0.000 . . . . . A 60 SER HB3 . 19217 1 676 . 1 1 60 60 SER CA C 13 56.925 0.000 . . . . . A 60 SER CA . 19217 1 677 . 1 1 60 60 SER CB C 13 67.049 0.002 . . . . . A 60 SER CB . 19217 1 678 . 1 1 60 60 SER N N 15 112.368 0.000 . . . . . A 60 SER N . 19217 1 679 . 1 1 61 61 LYS H H 1 7.918 0.000 . . . . . A 61 LYS H . 19217 1 680 . 1 1 61 61 LYS HA H 1 4.391 0.000 . . . . . A 61 LYS HA . 19217 1 681 . 1 1 61 61 LYS HB2 H 1 1.714 0.000 . . . . . A 61 LYS HB2 . 19217 1 682 . 1 1 61 61 LYS HB3 H 1 1.857 0.000 . . . . . A 61 LYS HB3 . 19217 1 683 . 1 1 61 61 LYS HG2 H 1 1.349 0.000 . . . . . A 61 LYS HG2 . 19217 1 684 . 1 1 61 61 LYS HG3 H 1 1.432 0.000 . . . . . A 61 LYS HG3 . 19217 1 685 . 1 1 61 61 LYS HD2 H 1 1.720 0.000 . . . . . A 61 LYS HD2 . 19217 1 686 . 1 1 61 61 LYS HD3 H 1 1.831 0.000 . . . . . A 61 LYS HD3 . 19217 1 687 . 1 1 61 61 LYS HE2 H 1 3.111 0.000 . . . . . A 61 LYS HE2 . 19217 1 688 . 1 1 61 61 LYS HE3 H 1 3.111 0.000 . . . . . A 61 LYS HE3 . 19217 1 689 . 1 1 61 61 LYS CA C 13 56.317 0.000 . . . . . A 61 LYS CA . 19217 1 690 . 1 1 61 61 LYS CB C 13 35.944 0.002 . . . . . A 61 LYS CB . 19217 1 691 . 1 1 61 61 LYS CG C 13 25.154 0.006 . . . . . A 61 LYS CG . 19217 1 692 . 1 1 61 61 LYS CD C 13 29.310 0.002 . . . . . A 61 LYS CD . 19217 1 693 . 1 1 61 61 LYS CE C 13 42.455 0.000 . . . . . A 61 LYS CE . 19217 1 694 . 1 1 61 61 LYS N N 15 120.402 0.000 . . . . . A 61 LYS N . 19217 1 695 . 1 1 62 62 ASP H H 1 9.517 0.000 . . . . . A 62 ASP H . 19217 1 696 . 1 1 62 62 ASP HA H 1 4.280 0.000 . . . . . A 62 ASP HA . 19217 1 697 . 1 1 62 62 ASP HB2 H 1 2.702 0.000 . . . . . A 62 ASP HB2 . 19217 1 698 . 1 1 62 62 ASP HB3 H 1 2.924 0.000 . . . . . A 62 ASP HB3 . 19217 1 699 . 1 1 62 62 ASP CA C 13 55.699 0.000 . . . . . A 62 ASP CA . 19217 1 700 . 1 1 62 62 ASP CB C 13 39.522 0.005 . . . . . A 62 ASP CB . 19217 1 701 . 1 1 62 62 ASP N N 15 128.253 0.000 . . . . . A 62 ASP N . 19217 1 702 . 1 1 63 63 GLY H H 1 8.597 0.000 . . . . . A 63 GLY H . 19217 1 703 . 1 1 63 63 GLY HA2 H 1 3.504 0.000 . . . . . A 63 GLY HA2 . 19217 1 704 . 1 1 63 63 GLY HA3 H 1 4.093 0.000 . . . . . A 63 GLY HA3 . 19217 1 705 . 1 1 63 63 GLY CA C 13 45.202 0.002 . . . . . A 63 GLY CA . 19217 1 706 . 1 1 63 63 GLY N N 15 103.421 0.000 . . . . . A 63 GLY N . 19217 1 707 . 1 1 64 64 VAL H H 1 7.630 0.000 . . . . . A 64 VAL H . 19217 1 708 . 1 1 64 64 VAL HA H 1 4.059 0.000 . . . . . A 64 VAL HA . 19217 1 709 . 1 1 64 64 VAL HB H 1 2.047 0.000 . . . . . A 64 VAL HB . 19217 1 710 . 1 1 64 64 VAL HG21 H 1 0.893 0.000 . . . . . A 64 VAL HG21 . 19217 1 711 . 1 1 64 64 VAL HG22 H 1 0.893 0.000 . . . . . A 64 VAL HG22 . 19217 1 712 . 1 1 64 64 VAL HG23 H 1 0.893 0.000 . . . . . A 64 VAL HG23 . 19217 1 713 . 1 1 64 64 VAL CA C 13 61.642 0.000 . . . . . A 64 VAL CA . 19217 1 714 . 1 1 64 64 VAL CB C 13 33.283 0.000 . . . . . A 64 VAL CB . 19217 1 715 . 1 1 64 64 VAL CG2 C 13 20.882 0.000 . . . . . A 64 VAL CG2 . 19217 1 716 . 1 1 64 64 VAL N N 15 122.304 0.000 . . . . . A 64 VAL N . 19217 1 717 . 1 1 65 65 GLN H H 1 8.366 0.000 . . . . . A 65 GLN H . 19217 1 718 . 1 1 65 65 GLN HA H 1 4.123 0.000 . . . . . A 65 GLN HA . 19217 1 719 . 1 1 65 65 GLN HB2 H 1 1.842 0.000 . . . . . A 65 GLN HB2 . 19217 1 720 . 1 1 65 65 GLN HB3 H 1 1.777 0.000 . . . . . A 65 GLN HB3 . 19217 1 721 . 1 1 65 65 GLN HG2 H 1 2.107 0.000 . . . . . A 65 GLN HG2 . 19217 1 722 . 1 1 65 65 GLN HG3 H 1 2.367 0.000 . . . . . A 65 GLN HG3 . 19217 1 723 . 1 1 65 65 GLN HE21 H 1 6.772 0.000 . . . . . A 65 GLN HE21 . 19217 1 724 . 1 1 65 65 GLN HE22 H 1 7.309 0.000 . . . . . A 65 GLN HE22 . 19217 1 725 . 1 1 65 65 GLN CA C 13 54.984 0.000 . . . . . A 65 GLN CA . 19217 1 726 . 1 1 65 65 GLN CB C 13 30.137 0.005 . . . . . A 65 GLN CB . 19217 1 727 . 1 1 65 65 GLN CG C 13 33.961 0.011 . . . . . A 65 GLN CG . 19217 1 728 . 1 1 65 65 GLN N N 15 126.376 0.000 . . . . . A 65 GLN N . 19217 1 729 . 1 1 65 65 GLN NE2 N 15 110.910 0.002 . . . . . A 65 GLN NE2 . 19217 1 730 . 1 1 66 66 PHE H H 1 8.606 0.000 . . . . . A 66 PHE H . 19217 1 731 . 1 1 66 66 PHE HA H 1 4.925 0.000 . . . . . A 66 PHE HA . 19217 1 732 . 1 1 66 66 PHE HB2 H 1 2.628 0.000 . . . . . A 66 PHE HB2 . 19217 1 733 . 1 1 66 66 PHE HB3 H 1 2.975 0.000 . . . . . A 66 PHE HB3 . 19217 1 734 . 1 1 66 66 PHE HD1 H 1 7.071 0.000 . . . . . A 66 PHE HD1 . 19217 1 735 . 1 1 66 66 PHE HD2 H 1 7.071 0.000 . . . . . A 66 PHE HD2 . 19217 1 736 . 1 1 66 66 PHE HE1 H 1 7.071 0.000 . . . . . A 66 PHE HE1 . 19217 1 737 . 1 1 66 66 PHE HE2 H 1 7.071 0.000 . . . . . A 66 PHE HE2 . 19217 1 738 . 1 1 66 66 PHE HZ H 1 6.760 0.000 . . . . . A 66 PHE HZ . 19217 1 739 . 1 1 66 66 PHE CA C 13 55.442 0.000 . . . . . A 66 PHE CA . 19217 1 740 . 1 1 66 66 PHE CB C 13 37.592 0.005 . . . . . A 66 PHE CB . 19217 1 741 . 1 1 66 66 PHE CD1 C 13 131.376 0.000 . . . . . A 66 PHE CD1 . 19217 1 742 . 1 1 66 66 PHE CD2 C 13 131.376 0.000 . . . . . A 66 PHE CD2 . 19217 1 743 . 1 1 66 66 PHE CE1 C 13 131.376 0.000 . . . . . A 66 PHE CE1 . 19217 1 744 . 1 1 66 66 PHE CE2 C 13 131.376 0.000 . . . . . A 66 PHE CE2 . 19217 1 745 . 1 1 66 66 PHE CZ C 13 128.923 0.000 . . . . . A 66 PHE CZ . 19217 1 746 . 1 1 66 66 PHE N N 15 126.770 0.000 . . . . . A 66 PHE N . 19217 1 747 . 1 1 67 67 THR H H 1 8.105 0.000 . . . . . A 67 THR H . 19217 1 748 . 1 1 67 67 THR HA H 1 4.378 0.000 . . . . . A 67 THR HA . 19217 1 749 . 1 1 67 67 THR HB H 1 4.414 0.000 . . . . . A 67 THR HB . 19217 1 750 . 1 1 67 67 THR HG21 H 1 1.223 0.000 . . . . . A 67 THR HG21 . 19217 1 751 . 1 1 67 67 THR HG22 H 1 1.223 0.000 . . . . . A 67 THR HG22 . 19217 1 752 . 1 1 67 67 THR HG23 H 1 1.223 0.000 . . . . . A 67 THR HG23 . 19217 1 753 . 1 1 67 67 THR CA C 13 62.290 0.000 . . . . . A 67 THR CA . 19217 1 754 . 1 1 67 67 THR CB C 13 69.730 0.000 . . . . . A 67 THR CB . 19217 1 755 . 1 1 67 67 THR CG2 C 13 21.920 0.000 . . . . . A 67 THR CG2 . 19217 1 756 . 1 1 67 67 THR N N 15 110.796 0.000 . . . . . A 67 THR N . 19217 1 757 . 1 1 68 68 GLU H H 1 8.171 0.000 . . . . . A 68 GLU H . 19217 1 758 . 1 1 68 68 GLU HA H 1 4.636 0.000 . . . . . A 68 GLU HA . 19217 1 759 . 1 1 68 68 GLU HB2 H 1 2.005 0.000 . . . . . A 68 GLU HB2 . 19217 1 760 . 1 1 68 68 GLU HB3 H 1 2.091 0.000 . . . . . A 68 GLU HB3 . 19217 1 761 . 1 1 68 68 GLU HG2 H 1 2.461 0.000 . . . . . A 68 GLU HG2 . 19217 1 762 . 1 1 68 68 GLU HG3 H 1 2.347 0.000 . . . . . A 68 GLU HG3 . 19217 1 763 . 1 1 68 68 GLU CA C 13 55.269 0.000 . . . . . A 68 GLU CA . 19217 1 764 . 1 1 68 68 GLU CB C 13 32.089 0.015 . . . . . A 68 GLU CB . 19217 1 765 . 1 1 68 68 GLU CG C 13 36.601 0.005 . . . . . A 68 GLU CG . 19217 1 766 . 1 1 68 68 GLU N N 15 122.415 0.000 . . . . . A 68 GLU N . 19217 1 767 . 1 1 69 69 GLY H H 1 8.870 0.000 . . . . . A 69 GLY H . 19217 1 768 . 1 1 69 69 GLY HA2 H 1 4.089 0.000 . . . . . A 69 GLY HA2 . 19217 1 769 . 1 1 69 69 GLY HA3 H 1 3.405 0.000 . . . . . A 69 GLY HA3 . 19217 1 770 . 1 1 69 69 GLY CA C 13 44.361 0.002 . . . . . A 69 GLY CA . 19217 1 771 . 1 1 69 69 GLY N N 15 109.155 0.000 . . . . . A 69 GLY N . 19217 1 772 . 1 1 70 70 CYS H H 1 8.335 0.000 . . . . . A 70 CYS H . 19217 1 773 . 1 1 70 70 CYS HA H 1 4.445 0.000 . . . . . A 70 CYS HA . 19217 1 774 . 1 1 70 70 CYS HB2 H 1 2.757 0.000 . . . . . A 70 CYS HB2 . 19217 1 775 . 1 1 70 70 CYS HB3 H 1 3.195 0.000 . . . . . A 70 CYS HB3 . 19217 1 776 . 1 1 70 70 CYS CA C 13 56.449 0.000 . . . . . A 70 CYS CA . 19217 1 777 . 1 1 70 70 CYS CB C 13 41.791 0.008 . . . . . A 70 CYS CB . 19217 1 778 . 1 1 70 70 CYS N N 15 116.376 0.000 . . . . . A 70 CYS N . 19217 1 779 . 1 1 71 71 ILE H H 1 9.129 0.000 . . . . . A 71 ILE H . 19217 1 780 . 1 1 71 71 ILE HA H 1 3.519 0.000 . . . . . A 71 ILE HA . 19217 1 781 . 1 1 71 71 ILE HB H 1 1.853 0.000 . . . . . A 71 ILE HB . 19217 1 782 . 1 1 71 71 ILE HG12 H 1 1.005 0.000 . . . . . A 71 ILE HG12 . 19217 1 783 . 1 1 71 71 ILE HG13 H 1 1.459 0.000 . . . . . A 71 ILE HG13 . 19217 1 784 . 1 1 71 71 ILE HG21 H 1 0.857 0.000 . . . . . A 71 ILE HG21 . 19217 1 785 . 1 1 71 71 ILE HG22 H 1 0.857 0.000 . . . . . A 71 ILE HG22 . 19217 1 786 . 1 1 71 71 ILE HG23 H 1 0.857 0.000 . . . . . A 71 ILE HG23 . 19217 1 787 . 1 1 71 71 ILE HD11 H 1 0.914 0.000 . . . . . A 71 ILE HD11 . 19217 1 788 . 1 1 71 71 ILE HD12 H 1 0.914 0.000 . . . . . A 71 ILE HD12 . 19217 1 789 . 1 1 71 71 ILE HD13 H 1 0.914 0.000 . . . . . A 71 ILE HD13 . 19217 1 790 . 1 1 71 71 ILE CA C 13 66.807 0.000 . . . . . A 71 ILE CA . 19217 1 791 . 1 1 71 71 ILE CB C 13 36.826 0.000 . . . . . A 71 ILE CB . 19217 1 792 . 1 1 71 71 ILE CG1 C 13 31.175 0.020 . . . . . A 71 ILE CG1 . 19217 1 793 . 1 1 71 71 ILE CG2 C 13 17.149 0.000 . . . . . A 71 ILE CG2 . 19217 1 794 . 1 1 71 71 ILE CD1 C 13 14.778 0.000 . . . . . A 71 ILE CD1 . 19217 1 795 . 1 1 71 71 ILE N N 15 121.812 0.000 . . . . . A 71 ILE N . 19217 1 796 . 1 1 72 72 LYS H H 1 8.179 0.000 . . . . . A 72 LYS H . 19217 1 797 . 1 1 72 72 LYS HA H 1 4.015 0.000 . . . . . A 72 LYS HA . 19217 1 798 . 1 1 72 72 LYS HB2 H 1 1.934 0.000 . . . . . A 72 LYS HB2 . 19217 1 799 . 1 1 72 72 LYS HB3 H 1 1.934 0.000 . . . . . A 72 LYS HB3 . 19217 1 800 . 1 1 72 72 LYS HG2 H 1 1.441 0.000 . . . . . A 72 LYS HG2 . 19217 1 801 . 1 1 72 72 LYS HG3 H 1 1.441 0.000 . . . . . A 72 LYS HG3 . 19217 1 802 . 1 1 72 72 LYS HD2 H 1 1.754 0.000 . . . . . A 72 LYS HD2 . 19217 1 803 . 1 1 72 72 LYS HD3 H 1 1.641 0.000 . . . . . A 72 LYS HD3 . 19217 1 804 . 1 1 72 72 LYS HE2 H 1 3.029 0.000 . . . . . A 72 LYS HE2 . 19217 1 805 . 1 1 72 72 LYS HE3 H 1 3.029 0.000 . . . . . A 72 LYS HE3 . 19217 1 806 . 1 1 72 72 LYS CA C 13 59.203 0.000 . . . . . A 72 LYS CA . 19217 1 807 . 1 1 72 72 LYS CB C 13 32.083 0.000 . . . . . A 72 LYS CB . 19217 1 808 . 1 1 72 72 LYS CG C 13 24.845 0.000 . . . . . A 72 LYS CG . 19217 1 809 . 1 1 72 72 LYS CD C 13 29.149 0.000 . . . . . A 72 LYS CD . 19217 1 810 . 1 1 72 72 LYS CE C 13 42.357 0.000 . . . . . A 72 LYS CE . 19217 1 811 . 1 1 72 72 LYS N N 15 121.424 0.000 . . . . . A 72 LYS N . 19217 1 812 . 1 1 73 73 LYS H H 1 7.287 0.000 . . . . . A 73 LYS H . 19217 1 813 . 1 1 73 73 LYS HA H 1 4.183 0.000 . . . . . A 73 LYS HA . 19217 1 814 . 1 1 73 73 LYS HB2 H 1 1.846 0.000 . . . . . A 73 LYS HB2 . 19217 1 815 . 1 1 73 73 LYS HB3 H 1 1.846 0.000 . . . . . A 73 LYS HB3 . 19217 1 816 . 1 1 73 73 LYS HG2 H 1 1.445 0.000 . . . . . A 73 LYS HG2 . 19217 1 817 . 1 1 73 73 LYS HG3 H 1 1.445 0.000 . . . . . A 73 LYS HG3 . 19217 1 818 . 1 1 73 73 LYS HD2 H 1 1.659 0.000 . . . . . A 73 LYS HD2 . 19217 1 819 . 1 1 73 73 LYS HD3 H 1 1.659 0.000 . . . . . A 73 LYS HD3 . 19217 1 820 . 1 1 73 73 LYS HE2 H 1 2.966 0.000 . . . . . A 73 LYS HE2 . 19217 1 821 . 1 1 73 73 LYS HE3 H 1 2.966 0.000 . . . . . A 73 LYS HE3 . 19217 1 822 . 1 1 73 73 LYS CA C 13 57.742 0.000 . . . . . A 73 LYS CA . 19217 1 823 . 1 1 73 73 LYS CB C 13 32.182 0.000 . . . . . A 73 LYS CB . 19217 1 824 . 1 1 73 73 LYS CG C 13 24.794 0.000 . . . . . A 73 LYS CG . 19217 1 825 . 1 1 73 73 LYS CD C 13 27.958 0.000 . . . . . A 73 LYS CD . 19217 1 826 . 1 1 73 73 LYS CE C 13 41.939 0.000 . . . . . A 73 LYS CE . 19217 1 827 . 1 1 73 73 LYS N N 15 115.131 0.000 . . . . . A 73 LYS N . 19217 1 828 . 1 1 74 74 VAL H H 1 8.398 0.000 . . . . . A 74 VAL H . 19217 1 829 . 1 1 74 74 VAL HA H 1 3.632 0.000 . . . . . A 74 VAL HA . 19217 1 830 . 1 1 74 74 VAL HB H 1 2.084 0.000 . . . . . A 74 VAL HB . 19217 1 831 . 1 1 74 74 VAL HG11 H 1 0.873 0.000 . . . . . A 74 VAL HG11 . 19217 1 832 . 1 1 74 74 VAL HG12 H 1 0.873 0.000 . . . . . A 74 VAL HG12 . 19217 1 833 . 1 1 74 74 VAL HG13 H 1 0.873 0.000 . . . . . A 74 VAL HG13 . 19217 1 834 . 1 1 74 74 VAL HG21 H 1 0.877 0.000 . . . . . A 74 VAL HG21 . 19217 1 835 . 1 1 74 74 VAL HG22 H 1 0.877 0.000 . . . . . A 74 VAL HG22 . 19217 1 836 . 1 1 74 74 VAL HG23 H 1 0.877 0.000 . . . . . A 74 VAL HG23 . 19217 1 837 . 1 1 74 74 VAL CA C 13 65.939 0.000 . . . . . A 74 VAL CA . 19217 1 838 . 1 1 74 74 VAL CB C 13 31.432 0.000 . . . . . A 74 VAL CB . 19217 1 839 . 1 1 74 74 VAL CG1 C 13 23.648 0.000 . . . . . A 74 VAL CG1 . 19217 1 840 . 1 1 74 74 VAL CG2 C 13 22.128 0.000 . . . . . A 74 VAL CG2 . 19217 1 841 . 1 1 74 74 VAL N N 15 117.637 0.000 . . . . . A 74 VAL N . 19217 1 842 . 1 1 75 75 SER H H 1 8.249 0.000 . . . . . A 75 SER H . 19217 1 843 . 1 1 75 75 SER HA H 1 4.144 0.000 . . . . . A 75 SER HA . 19217 1 844 . 1 1 75 75 SER HB2 H 1 3.968 0.000 . . . . . A 75 SER HB2 . 19217 1 845 . 1 1 75 75 SER HB3 H 1 4.034 0.000 . . . . . A 75 SER HB3 . 19217 1 846 . 1 1 75 75 SER CA C 13 61.816 0.000 . . . . . A 75 SER CA . 19217 1 847 . 1 1 75 75 SER CB C 13 62.840 0.003 . . . . . A 75 SER CB . 19217 1 848 . 1 1 75 75 SER N N 15 117.090 0.000 . . . . . A 75 SER N . 19217 1 849 . 1 1 76 76 ASP H H 1 8.240 0.000 . . . . . A 76 ASP H . 19217 1 850 . 1 1 76 76 ASP HA H 1 4.476 0.000 . . . . . A 76 ASP HA . 19217 1 851 . 1 1 76 76 ASP HB2 H 1 2.700 0.000 . . . . . A 76 ASP HB2 . 19217 1 852 . 1 1 76 76 ASP HB3 H 1 2.777 0.000 . . . . . A 76 ASP HB3 . 19217 1 853 . 1 1 76 76 ASP CA C 13 56.417 0.000 . . . . . A 76 ASP CA . 19217 1 854 . 1 1 76 76 ASP CB C 13 40.436 0.000 . . . . . A 76 ASP CB . 19217 1 855 . 1 1 76 76 ASP N N 15 121.102 0.000 . . . . . A 76 ASP N . 19217 1 856 . 1 1 77 77 LEU H H 1 7.728 0.000 . . . . . A 77 LEU H . 19217 1 857 . 1 1 77 77 LEU HA H 1 4.211 0.000 . . . . . A 77 LEU HA . 19217 1 858 . 1 1 77 77 LEU HB2 H 1 1.866 0.000 . . . . . A 77 LEU HB2 . 19217 1 859 . 1 1 77 77 LEU HB3 H 1 1.585 0.000 . . . . . A 77 LEU HB3 . 19217 1 860 . 1 1 77 77 LEU HG H 1 1.910 0.000 . . . . . A 77 LEU HG . 19217 1 861 . 1 1 77 77 LEU HD11 H 1 0.865 0.000 . . . . . A 77 LEU HD11 . 19217 1 862 . 1 1 77 77 LEU HD12 H 1 0.865 0.000 . . . . . A 77 LEU HD12 . 19217 1 863 . 1 1 77 77 LEU HD13 H 1 0.865 0.000 . . . . . A 77 LEU HD13 . 19217 1 864 . 1 1 77 77 LEU HD21 H 1 0.907 0.000 . . . . . A 77 LEU HD21 . 19217 1 865 . 1 1 77 77 LEU HD22 H 1 0.907 0.000 . . . . . A 77 LEU HD22 . 19217 1 866 . 1 1 77 77 LEU HD23 H 1 0.907 0.000 . . . . . A 77 LEU HD23 . 19217 1 867 . 1 1 77 77 LEU CA C 13 56.660 0.000 . . . . . A 77 LEU CA . 19217 1 868 . 1 1 77 77 LEU CB C 13 42.216 0.011 . . . . . A 77 LEU CB . 19217 1 869 . 1 1 77 77 LEU CG C 13 26.600 0.000 . . . . . A 77 LEU CG . 19217 1 870 . 1 1 77 77 LEU CD1 C 13 23.203 0.000 . . . . . A 77 LEU CD1 . 19217 1 871 . 1 1 77 77 LEU CD2 C 13 25.907 0.000 . . . . . A 77 LEU CD2 . 19217 1 872 . 1 1 77 77 LEU N N 15 119.967 0.000 . . . . . A 77 LEU N . 19217 1 873 . 1 1 78 78 SER H H 1 7.873 0.000 . . . . . A 78 SER H . 19217 1 874 . 1 1 78 78 SER HA H 1 4.379 0.000 . . . . . A 78 SER HA . 19217 1 875 . 1 1 78 78 SER HB2 H 1 3.923 0.000 . . . . . A 78 SER HB2 . 19217 1 876 . 1 1 78 78 SER HB3 H 1 3.965 0.000 . . . . . A 78 SER HB3 . 19217 1 877 . 1 1 78 78 SER CA C 13 59.286 0.000 . . . . . A 78 SER CA . 19217 1 878 . 1 1 78 78 SER CB C 13 63.761 0.004 . . . . . A 78 SER CB . 19217 1 879 . 1 1 78 78 SER N N 15 113.729 0.000 . . . . . A 78 SER N . 19217 1 880 . 1 1 79 79 LYS H H 1 7.741 0.000 . . . . . A 79 LYS H . 19217 1 881 . 1 1 79 79 LYS HA H 1 4.288 0.000 . . . . . A 79 LYS HA . 19217 1 882 . 1 1 79 79 LYS HB2 H 1 1.899 0.000 . . . . . A 79 LYS HB2 . 19217 1 883 . 1 1 79 79 LYS HB3 H 1 1.805 0.000 . . . . . A 79 LYS HB3 . 19217 1 884 . 1 1 79 79 LYS HG2 H 1 1.452 0.000 . . . . . A 79 LYS HG2 . 19217 1 885 . 1 1 79 79 LYS HG3 H 1 1.487 0.000 . . . . . A 79 LYS HG3 . 19217 1 886 . 1 1 79 79 LYS HD2 H 1 1.691 0.000 . . . . . A 79 LYS HD2 . 19217 1 887 . 1 1 79 79 LYS HD3 H 1 1.691 0.000 . . . . . A 79 LYS HD3 . 19217 1 888 . 1 1 79 79 LYS HE2 H 1 2.994 0.000 . . . . . A 79 LYS HE2 . 19217 1 889 . 1 1 79 79 LYS HE3 H 1 2.994 0.000 . . . . . A 79 LYS HE3 . 19217 1 890 . 1 1 79 79 LYS CA C 13 56.416 0.000 . . . . . A 79 LYS CA . 19217 1 891 . 1 1 79 79 LYS CB C 13 32.842 0.001 . . . . . A 79 LYS CB . 19217 1 892 . 1 1 79 79 LYS CG C 13 24.780 0.006 . . . . . A 79 LYS CG . 19217 1 893 . 1 1 79 79 LYS CD C 13 29.163 0.000 . . . . . A 79 LYS CD . 19217 1 894 . 1 1 79 79 LYS CE C 13 42.292 0.000 . . . . . A 79 LYS CE . 19217 1 895 . 1 1 79 79 LYS N N 15 121.616 0.000 . . . . . A 79 LYS N . 19217 1 896 . 1 1 80 80 ALA H H 1 8.044 0.000 . . . . . A 80 ALA H . 19217 1 897 . 1 1 80 80 ALA HA H 1 4.274 0.000 . . . . . A 80 ALA HA . 19217 1 898 . 1 1 80 80 ALA HB1 H 1 1.358 0.000 . . . . . A 80 ALA HB1 . 19217 1 899 . 1 1 80 80 ALA HB2 H 1 1.358 0.000 . . . . . A 80 ALA HB2 . 19217 1 900 . 1 1 80 80 ALA HB3 H 1 1.358 0.000 . . . . . A 80 ALA HB3 . 19217 1 901 . 1 1 80 80 ALA CA C 13 52.613 0.000 . . . . . A 80 ALA CA . 19217 1 902 . 1 1 80 80 ALA CB C 13 19.270 0.000 . . . . . A 80 ALA CB . 19217 1 903 . 1 1 80 80 ALA N N 15 124.562 0.000 . . . . . A 80 ALA N . 19217 1 904 . 1 1 81 81 HIS H H 1 7.960 0.000 . . . . . A 81 HIS H . 19217 1 905 . 1 1 81 81 HIS HA H 1 4.443 0.000 . . . . . A 81 HIS HA . 19217 1 906 . 1 1 81 81 HIS HB2 H 1 3.103 0.000 . . . . . A 81 HIS HB2 . 19217 1 907 . 1 1 81 81 HIS HB3 H 1 3.253 0.000 . . . . . A 81 HIS HB3 . 19217 1 908 . 1 1 81 81 HIS HD2 H 1 7.253 0.000 . . . . . A 81 HIS HD2 . 19217 1 909 . 1 1 81 81 HIS CA C 13 56.831 0.000 . . . . . A 81 HIS CA . 19217 1 910 . 1 1 81 81 HIS CB C 13 30.106 0.000 . . . . . A 81 HIS CB . 19217 1 911 . 1 1 81 81 HIS CD2 C 13 119.722 0.000 . . . . . A 81 HIS CD2 . 19217 1 912 . 1 1 81 81 HIS N N 15 122.456 0.000 . . . . . A 81 HIS N . 19217 1 stop_ save_