data_10272 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10272 _Entry.Title ; Solution structures of the SH3 domain of human KIAA0418 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-15 _Entry.Accession_date 2008-12-15 _Entry.Last_release_date 2009-12-14 _Entry.Original_release_date 2009-12-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 M. Sato . . . 10272 2 N. Tochio . . . 10272 3 S. Koshiba . . . 10272 4 M. Inoue . . . 10272 5 T. Kigawa . . . 10272 6 S. Yokoyama . . . 10272 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 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10272 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10272 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 317 10272 '15N chemical shifts' 76 10272 '1H chemical shifts' 480 10272 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-12-14 2008-12-15 original author . 10272 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EKH 'BMRB Entry Tracking System' 10272 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10272 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structures of the SH3 domain of human KIAA0418' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Sato . . . 10272 1 2 N. Tochio . . . 10272 1 3 S. Koshiba . . . 10272 1 4 M. Inoue . . . 10272 1 5 T. Kigawa . . . 10272 1 6 S. Yokoyama . . . 10272 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10272 _Assembly.ID 1 _Assembly.Name 'SH3 and PX domain-containing protein 2A' _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 'SH3 domain' 1 $entity_1 . . yes native no no . . . 10272 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2EKH . . . . . . 10272 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10272 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGATSYMTCSAYQKV QDSEISFPAGVEVQVLEKQE SGWWYVRFGELEGWAPSHYL VLDENEQPDPSGKESGPSSG ; _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 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2EKH . "Solution Structures Of The Sh3 Domain Of Human Kiaa0418" . . . . . 100.00 80 100.00 100.00 4.00e-49 . . . . 10272 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 10272 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 . 10272 1 2 . SER . 10272 1 3 . SER . 10272 1 4 . GLY . 10272 1 5 . SER . 10272 1 6 . SER . 10272 1 7 . GLY . 10272 1 8 . ALA . 10272 1 9 . THR . 10272 1 10 . SER . 10272 1 11 . TYR . 10272 1 12 . MET . 10272 1 13 . THR . 10272 1 14 . CYS . 10272 1 15 . SER . 10272 1 16 . ALA . 10272 1 17 . TYR . 10272 1 18 . GLN . 10272 1 19 . LYS . 10272 1 20 . VAL . 10272 1 21 . GLN . 10272 1 22 . ASP . 10272 1 23 . SER . 10272 1 24 . GLU . 10272 1 25 . ILE . 10272 1 26 . SER . 10272 1 27 . PHE . 10272 1 28 . PRO . 10272 1 29 . ALA . 10272 1 30 . GLY . 10272 1 31 . VAL . 10272 1 32 . GLU . 10272 1 33 . VAL . 10272 1 34 . GLN . 10272 1 35 . VAL . 10272 1 36 . LEU . 10272 1 37 . GLU . 10272 1 38 . LYS . 10272 1 39 . GLN . 10272 1 40 . GLU . 10272 1 41 . SER . 10272 1 42 . GLY . 10272 1 43 . TRP . 10272 1 44 . TRP . 10272 1 45 . TYR . 10272 1 46 . VAL . 10272 1 47 . ARG . 10272 1 48 . PHE . 10272 1 49 . GLY . 10272 1 50 . GLU . 10272 1 51 . LEU . 10272 1 52 . GLU . 10272 1 53 . GLY . 10272 1 54 . TRP . 10272 1 55 . ALA . 10272 1 56 . PRO . 10272 1 57 . SER . 10272 1 58 . HIS . 10272 1 59 . TYR . 10272 1 60 . LEU . 10272 1 61 . VAL . 10272 1 62 . LEU . 10272 1 63 . ASP . 10272 1 64 . GLU . 10272 1 65 . ASN . 10272 1 66 . GLU . 10272 1 67 . GLN . 10272 1 68 . PRO . 10272 1 69 . ASP . 10272 1 70 . PRO . 10272 1 71 . SER . 10272 1 72 . GLY . 10272 1 73 . LYS . 10272 1 74 . GLU . 10272 1 75 . SER . 10272 1 76 . GLY . 10272 1 77 . PRO . 10272 1 78 . SER . 10272 1 79 . SER . 10272 1 80 . GLY . 10272 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 10272 1 . SER 2 2 10272 1 . SER 3 3 10272 1 . GLY 4 4 10272 1 . SER 5 5 10272 1 . SER 6 6 10272 1 . GLY 7 7 10272 1 . ALA 8 8 10272 1 . THR 9 9 10272 1 . SER 10 10 10272 1 . TYR 11 11 10272 1 . MET 12 12 10272 1 . THR 13 13 10272 1 . CYS 14 14 10272 1 . SER 15 15 10272 1 . ALA 16 16 10272 1 . TYR 17 17 10272 1 . GLN 18 18 10272 1 . LYS 19 19 10272 1 . VAL 20 20 10272 1 . GLN 21 21 10272 1 . ASP 22 22 10272 1 . SER 23 23 10272 1 . GLU 24 24 10272 1 . ILE 25 25 10272 1 . SER 26 26 10272 1 . PHE 27 27 10272 1 . PRO 28 28 10272 1 . ALA 29 29 10272 1 . GLY 30 30 10272 1 . VAL 31 31 10272 1 . GLU 32 32 10272 1 . VAL 33 33 10272 1 . GLN 34 34 10272 1 . VAL 35 35 10272 1 . LEU 36 36 10272 1 . GLU 37 37 10272 1 . LYS 38 38 10272 1 . GLN 39 39 10272 1 . GLU 40 40 10272 1 . SER 41 41 10272 1 . GLY 42 42 10272 1 . TRP 43 43 10272 1 . TRP 44 44 10272 1 . TYR 45 45 10272 1 . VAL 46 46 10272 1 . ARG 47 47 10272 1 . PHE 48 48 10272 1 . GLY 49 49 10272 1 . GLU 50 50 10272 1 . LEU 51 51 10272 1 . GLU 52 52 10272 1 . GLY 53 53 10272 1 . TRP 54 54 10272 1 . ALA 55 55 10272 1 . PRO 56 56 10272 1 . SER 57 57 10272 1 . HIS 58 58 10272 1 . TYR 59 59 10272 1 . LEU 60 60 10272 1 . VAL 61 61 10272 1 . LEU 62 62 10272 1 . ASP 63 63 10272 1 . GLU 64 64 10272 1 . ASN 65 65 10272 1 . GLU 66 66 10272 1 . GLN 67 67 10272 1 . PRO 68 68 10272 1 . ASP 69 69 10272 1 . PRO 70 70 10272 1 . SER 71 71 10272 1 . GLY 72 72 10272 1 . LYS 73 73 10272 1 . GLU 74 74 10272 1 . SER 75 75 10272 1 . GLY 76 76 10272 1 . PRO 77 77 10272 1 . SER 78 78 10272 1 . SER 79 79 10272 1 . GLY 80 80 10272 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 10272 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10272 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 10272 _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 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P050919-08 . . . . . . 10272 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10272 _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 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10272 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10272 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10272 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10272 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10272 1 6 H2O . . . . . . solvent 90 . . % . . . . 10272 1 7 D2O . . . . . . solvent 10 . . % . . . . 10272 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10272 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10272 1 pH 7.0 0.05 pH 10272 1 pressure 1 0.001 atm 10272 1 temperature 296 0.1 K 10272 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10272 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10272 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10272 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10272 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10272 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10272 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10272 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10272 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10272 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10272 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9827 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10272 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10272 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10272 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10272 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10272 5 'structure solution' 10272 5 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 10272 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10272 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10272 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 10272 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10272 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10272 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10272 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 10272 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10272 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10272 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10272 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10272 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10272 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 6 6 SER HA H 1 4.494 0.030 . 1 . . . . 6 SER HA . 10272 1 2 . 1 1 6 6 SER CA C 13 58.785 0.300 . 1 . . . . 6 SER CA . 10272 1 3 . 1 1 6 6 SER CB C 13 63.483 0.300 . 1 . . . . 6 SER CB . 10272 1 4 . 1 1 7 7 GLY H H 1 8.367 0.030 . 1 . . . . 7 GLY H . 10272 1 5 . 1 1 7 7 GLY HA2 H 1 3.955 0.030 . 1 . . . . 7 GLY HA2 . 10272 1 6 . 1 1 7 7 GLY HA3 H 1 3.955 0.030 . 1 . . . . 7 GLY HA3 . 10272 1 7 . 1 1 7 7 GLY C C 13 173.640 0.300 . 1 . . . . 7 GLY C . 10272 1 8 . 1 1 7 7 GLY CA C 13 45.215 0.300 . 1 . . . . 7 GLY CA . 10272 1 9 . 1 1 7 7 GLY N N 15 110.787 0.300 . 1 . . . . 7 GLY N . 10272 1 10 . 1 1 8 8 ALA H H 1 8.126 0.030 . 1 . . . . 8 ALA H . 10272 1 11 . 1 1 8 8 ALA HA H 1 4.458 0.030 . 1 . . . . 8 ALA HA . 10272 1 12 . 1 1 8 8 ALA HB1 H 1 1.322 0.030 . 1 . . . . 8 ALA HB . 10272 1 13 . 1 1 8 8 ALA HB2 H 1 1.322 0.030 . 1 . . . . 8 ALA HB . 10272 1 14 . 1 1 8 8 ALA HB3 H 1 1.322 0.030 . 1 . . . . 8 ALA HB . 10272 1 15 . 1 1 8 8 ALA C C 13 177.711 0.300 . 1 . . . . 8 ALA C . 10272 1 16 . 1 1 8 8 ALA CA C 13 52.493 0.300 . 1 . . . . 8 ALA CA . 10272 1 17 . 1 1 8 8 ALA CB C 13 19.761 0.300 . 1 . . . . 8 ALA CB . 10272 1 18 . 1 1 8 8 ALA N N 15 123.680 0.300 . 1 . . . . 8 ALA N . 10272 1 19 . 1 1 9 9 THR H H 1 8.254 0.030 . 1 . . . . 9 THR H . 10272 1 20 . 1 1 9 9 THR HA H 1 4.527 0.030 . 1 . . . . 9 THR HA . 10272 1 21 . 1 1 9 9 THR HB H 1 4.273 0.030 . 1 . . . . 9 THR HB . 10272 1 22 . 1 1 9 9 THR HG21 H 1 1.188 0.030 . 1 . . . . 9 THR HG2 . 10272 1 23 . 1 1 9 9 THR HG22 H 1 1.188 0.030 . 1 . . . . 9 THR HG2 . 10272 1 24 . 1 1 9 9 THR HG23 H 1 1.188 0.030 . 1 . . . . 9 THR HG2 . 10272 1 25 . 1 1 9 9 THR C C 13 174.050 0.300 . 1 . . . . 9 THR C . 10272 1 26 . 1 1 9 9 THR CA C 13 61.874 0.300 . 1 . . . . 9 THR CA . 10272 1 27 . 1 1 9 9 THR CB C 13 70.580 0.300 . 1 . . . . 9 THR CB . 10272 1 28 . 1 1 9 9 THR CG2 C 13 22.039 0.300 . 1 . . . . 9 THR CG2 . 10272 1 29 . 1 1 9 9 THR N N 15 113.196 0.300 . 1 . . . . 9 THR N . 10272 1 30 . 1 1 10 10 SER H H 1 8.264 0.030 . 1 . . . . 10 SER H . 10272 1 31 . 1 1 10 10 SER HA H 1 5.228 0.030 . 1 . . . . 10 SER HA . 10272 1 32 . 1 1 10 10 SER HB2 H 1 3.777 0.030 . 1 . . . . 10 SER HB2 . 10272 1 33 . 1 1 10 10 SER HB3 H 1 3.777 0.030 . 1 . . . . 10 SER HB3 . 10272 1 34 . 1 1 10 10 SER C C 13 173.318 0.300 . 1 . . . . 10 SER C . 10272 1 35 . 1 1 10 10 SER CA C 13 58.404 0.300 . 1 . . . . 10 SER CA . 10272 1 36 . 1 1 10 10 SER CB C 13 64.098 0.300 . 1 . . . . 10 SER CB . 10272 1 37 . 1 1 10 10 SER N N 15 120.509 0.300 . 1 . . . . 10 SER N . 10272 1 38 . 1 1 11 11 TYR H H 1 8.957 0.030 . 1 . . . . 11 TYR H . 10272 1 39 . 1 1 11 11 TYR HA H 1 4.793 0.030 . 1 . . . . 11 TYR HA . 10272 1 40 . 1 1 11 11 TYR HB2 H 1 2.795 0.030 . 2 . . . . 11 TYR HB2 . 10272 1 41 . 1 1 11 11 TYR HB3 H 1 2.526 0.030 . 2 . . . . 11 TYR HB3 . 10272 1 42 . 1 1 11 11 TYR HD1 H 1 7.027 0.030 . 1 . . . . 11 TYR HD1 . 10272 1 43 . 1 1 11 11 TYR HD2 H 1 7.027 0.030 . 1 . . . . 11 TYR HD2 . 10272 1 44 . 1 1 11 11 TYR HE1 H 1 6.783 0.030 . 1 . . . . 11 TYR HE1 . 10272 1 45 . 1 1 11 11 TYR HE2 H 1 6.783 0.030 . 1 . . . . 11 TYR HE2 . 10272 1 46 . 1 1 11 11 TYR C C 13 174.111 0.300 . 1 . . . . 11 TYR C . 10272 1 47 . 1 1 11 11 TYR CA C 13 57.097 0.300 . 1 . . . . 11 TYR CA . 10272 1 48 . 1 1 11 11 TYR CB C 13 43.764 0.300 . 1 . . . . 11 TYR CB . 10272 1 49 . 1 1 11 11 TYR CD1 C 13 133.691 0.300 . 1 . . . . 11 TYR CD1 . 10272 1 50 . 1 1 11 11 TYR CD2 C 13 133.691 0.300 . 1 . . . . 11 TYR CD2 . 10272 1 51 . 1 1 11 11 TYR CE1 C 13 117.815 0.300 . 1 . . . . 11 TYR CE1 . 10272 1 52 . 1 1 11 11 TYR CE2 C 13 117.815 0.300 . 1 . . . . 11 TYR CE2 . 10272 1 53 . 1 1 11 11 TYR N N 15 124.069 0.300 . 1 . . . . 11 TYR N . 10272 1 54 . 1 1 12 12 MET H H 1 8.985 0.030 . 1 . . . . 12 MET H . 10272 1 55 . 1 1 12 12 MET HA H 1 5.463 0.030 . 1 . . . . 12 MET HA . 10272 1 56 . 1 1 12 12 MET HB2 H 1 1.806 0.030 . 1 . . . . 12 MET HB2 . 10272 1 57 . 1 1 12 12 MET HB3 H 1 1.806 0.030 . 1 . . . . 12 MET HB3 . 10272 1 58 . 1 1 12 12 MET HE1 H 1 1.858 0.030 . 1 . . . . 12 MET HE . 10272 1 59 . 1 1 12 12 MET HE2 H 1 1.858 0.030 . 1 . . . . 12 MET HE . 10272 1 60 . 1 1 12 12 MET HE3 H 1 1.858 0.030 . 1 . . . . 12 MET HE . 10272 1 61 . 1 1 12 12 MET HG2 H 1 2.508 0.030 . 2 . . . . 12 MET HG2 . 10272 1 62 . 1 1 12 12 MET HG3 H 1 2.468 0.030 . 2 . . . . 12 MET HG3 . 10272 1 63 . 1 1 12 12 MET C C 13 177.045 0.300 . 1 . . . . 12 MET C . 10272 1 64 . 1 1 12 12 MET CA C 13 52.215 0.300 . 1 . . . . 12 MET CA . 10272 1 65 . 1 1 12 12 MET CB C 13 33.195 0.300 . 1 . . . . 12 MET CB . 10272 1 66 . 1 1 12 12 MET CE C 13 15.831 0.300 . 1 . . . . 12 MET CE . 10272 1 67 . 1 1 12 12 MET CG C 13 31.670 0.300 . 1 . . . . 12 MET CG . 10272 1 68 . 1 1 12 12 MET N N 15 118.428 0.300 . 1 . . . . 12 MET N . 10272 1 69 . 1 1 13 13 THR H H 1 9.132 0.030 . 1 . . . . 13 THR H . 10272 1 70 . 1 1 13 13 THR HA H 1 4.872 0.030 . 1 . . . . 13 THR HA . 10272 1 71 . 1 1 13 13 THR HB H 1 4.485 0.030 . 1 . . . . 13 THR HB . 10272 1 72 . 1 1 13 13 THR HG21 H 1 0.228 0.030 . 1 . . . . 13 THR HG2 . 10272 1 73 . 1 1 13 13 THR HG22 H 1 0.228 0.030 . 1 . . . . 13 THR HG2 . 10272 1 74 . 1 1 13 13 THR HG23 H 1 0.228 0.030 . 1 . . . . 13 THR HG2 . 10272 1 75 . 1 1 13 13 THR C C 13 177.032 0.300 . 1 . . . . 13 THR C . 10272 1 76 . 1 1 13 13 THR CA C 13 60.003 0.300 . 1 . . . . 13 THR CA . 10272 1 77 . 1 1 13 13 THR CB C 13 69.597 0.300 . 1 . . . . 13 THR CB . 10272 1 78 . 1 1 13 13 THR CG2 C 13 23.359 0.300 . 1 . . . . 13 THR CG2 . 10272 1 79 . 1 1 13 13 THR N N 15 113.981 0.300 . 1 . . . . 13 THR N . 10272 1 80 . 1 1 14 14 CYS H H 1 9.504 0.030 . 1 . . . . 14 CYS H . 10272 1 81 . 1 1 14 14 CYS HA H 1 4.806 0.030 . 1 . . . . 14 CYS HA . 10272 1 82 . 1 1 14 14 CYS HB2 H 1 3.130 0.030 . 2 . . . . 14 CYS HB2 . 10272 1 83 . 1 1 14 14 CYS HB3 H 1 2.554 0.030 . 2 . . . . 14 CYS HB3 . 10272 1 84 . 1 1 14 14 CYS C C 13 173.712 0.300 . 1 . . . . 14 CYS C . 10272 1 85 . 1 1 14 14 CYS CA C 13 57.209 0.300 . 1 . . . . 14 CYS CA . 10272 1 86 . 1 1 14 14 CYS CB C 13 28.772 0.300 . 1 . . . . 14 CYS CB . 10272 1 87 . 1 1 14 14 CYS N N 15 122.485 0.300 . 1 . . . . 14 CYS N . 10272 1 88 . 1 1 15 15 SER H H 1 7.796 0.030 . 1 . . . . 15 SER H . 10272 1 89 . 1 1 15 15 SER HA H 1 4.578 0.030 . 1 . . . . 15 SER HA . 10272 1 90 . 1 1 15 15 SER HB2 H 1 3.516 0.030 . 2 . . . . 15 SER HB2 . 10272 1 91 . 1 1 15 15 SER HB3 H 1 3.470 0.030 . 2 . . . . 15 SER HB3 . 10272 1 92 . 1 1 15 15 SER C C 13 171.037 0.300 . 1 . . . . 15 SER C . 10272 1 93 . 1 1 15 15 SER CA C 13 56.858 0.300 . 1 . . . . 15 SER CA . 10272 1 94 . 1 1 15 15 SER CB C 13 66.124 0.300 . 1 . . . . 15 SER CB . 10272 1 95 . 1 1 15 15 SER N N 15 116.311 0.300 . 1 . . . . 15 SER N . 10272 1 96 . 1 1 16 16 ALA H H 1 8.398 0.030 . 1 . . . . 16 ALA H . 10272 1 97 . 1 1 16 16 ALA HA H 1 4.582 0.030 . 1 . . . . 16 ALA HA . 10272 1 98 . 1 1 16 16 ALA HB1 H 1 1.437 0.030 . 1 . . . . 16 ALA HB . 10272 1 99 . 1 1 16 16 ALA HB2 H 1 1.437 0.030 . 1 . . . . 16 ALA HB . 10272 1 100 . 1 1 16 16 ALA HB3 H 1 1.437 0.030 . 1 . . . . 16 ALA HB . 10272 1 101 . 1 1 16 16 ALA C C 13 176.897 0.300 . 1 . . . . 16 ALA C . 10272 1 102 . 1 1 16 16 ALA CA C 13 52.085 0.300 . 1 . . . . 16 ALA CA . 10272 1 103 . 1 1 16 16 ALA CB C 13 19.720 0.300 . 1 . . . . 16 ALA CB . 10272 1 104 . 1 1 16 16 ALA N N 15 124.071 0.300 . 1 . . . . 16 ALA N . 10272 1 105 . 1 1 17 17 TYR H H 1 8.401 0.030 . 1 . . . . 17 TYR H . 10272 1 106 . 1 1 17 17 TYR HA H 1 4.384 0.030 . 1 . . . . 17 TYR HA . 10272 1 107 . 1 1 17 17 TYR HB2 H 1 1.980 0.030 . 2 . . . . 17 TYR HB2 . 10272 1 108 . 1 1 17 17 TYR HB3 H 1 1.097 0.030 . 2 . . . . 17 TYR HB3 . 10272 1 109 . 1 1 17 17 TYR HD1 H 1 6.772 0.030 . 1 . . . . 17 TYR HD1 . 10272 1 110 . 1 1 17 17 TYR HD2 H 1 6.772 0.030 . 1 . . . . 17 TYR HD2 . 10272 1 111 . 1 1 17 17 TYR HE1 H 1 6.802 0.030 . 1 . . . . 17 TYR HE1 . 10272 1 112 . 1 1 17 17 TYR HE2 H 1 6.802 0.030 . 1 . . . . 17 TYR HE2 . 10272 1 113 . 1 1 17 17 TYR C C 13 173.836 0.300 . 1 . . . . 17 TYR C . 10272 1 114 . 1 1 17 17 TYR CA C 13 57.801 0.300 . 1 . . . . 17 TYR CA . 10272 1 115 . 1 1 17 17 TYR CB C 13 42.166 0.300 . 1 . . . . 17 TYR CB . 10272 1 116 . 1 1 17 17 TYR CD1 C 13 133.038 0.300 . 1 . . . . 17 TYR CD1 . 10272 1 117 . 1 1 17 17 TYR CD2 C 13 133.038 0.300 . 1 . . . . 17 TYR CD2 . 10272 1 118 . 1 1 17 17 TYR CE1 C 13 117.462 0.300 . 1 . . . . 17 TYR CE1 . 10272 1 119 . 1 1 17 17 TYR CE2 C 13 117.462 0.300 . 1 . . . . 17 TYR CE2 . 10272 1 120 . 1 1 17 17 TYR N N 15 121.997 0.300 . 1 . . . . 17 TYR N . 10272 1 121 . 1 1 18 18 GLN H H 1 6.844 0.030 . 1 . . . . 18 GLN H . 10272 1 122 . 1 1 18 18 GLN HA H 1 4.318 0.030 . 1 . . . . 18 GLN HA . 10272 1 123 . 1 1 18 18 GLN HB2 H 1 1.608 0.030 . 1 . . . . 18 GLN HB2 . 10272 1 124 . 1 1 18 18 GLN HB3 H 1 1.608 0.030 . 1 . . . . 18 GLN HB3 . 10272 1 125 . 1 1 18 18 GLN HE21 H 1 7.524 0.030 . 2 . . . . 18 GLN HE21 . 10272 1 126 . 1 1 18 18 GLN HE22 H 1 6.740 0.030 . 2 . . . . 18 GLN HE22 . 10272 1 127 . 1 1 18 18 GLN HG2 H 1 2.117 0.030 . 2 . . . . 18 GLN HG2 . 10272 1 128 . 1 1 18 18 GLN HG3 H 1 2.066 0.030 . 2 . . . . 18 GLN HG3 . 10272 1 129 . 1 1 18 18 GLN C C 13 172.990 0.300 . 1 . . . . 18 GLN C . 10272 1 130 . 1 1 18 18 GLN CA C 13 52.767 0.300 . 1 . . . . 18 GLN CA . 10272 1 131 . 1 1 18 18 GLN CB C 13 29.940 0.300 . 1 . . . . 18 GLN CB . 10272 1 132 . 1 1 18 18 GLN CG C 13 33.536 0.300 . 1 . . . . 18 GLN CG . 10272 1 133 . 1 1 18 18 GLN N N 15 127.603 0.300 . 1 . . . . 18 GLN N . 10272 1 134 . 1 1 18 18 GLN NE2 N 15 112.804 0.300 . 1 . . . . 18 GLN NE2 . 10272 1 135 . 1 1 19 19 LYS H H 1 8.155 0.030 . 1 . . . . 19 LYS H . 10272 1 136 . 1 1 19 19 LYS HA H 1 4.130 0.030 . 1 . . . . 19 LYS HA . 10272 1 137 . 1 1 19 19 LYS HB2 H 1 2.061 0.030 . 2 . . . . 19 LYS HB2 . 10272 1 138 . 1 1 19 19 LYS HB3 H 1 1.418 0.030 . 2 . . . . 19 LYS HB3 . 10272 1 139 . 1 1 19 19 LYS HD2 H 1 1.706 0.030 . 2 . . . . 19 LYS HD2 . 10272 1 140 . 1 1 19 19 LYS HD3 H 1 1.535 0.030 . 2 . . . . 19 LYS HD3 . 10272 1 141 . 1 1 19 19 LYS HE2 H 1 3.069 0.030 . 2 . . . . 19 LYS HE2 . 10272 1 142 . 1 1 19 19 LYS HE3 H 1 2.924 0.030 . 2 . . . . 19 LYS HE3 . 10272 1 143 . 1 1 19 19 LYS HG2 H 1 1.289 0.030 . 2 . . . . 19 LYS HG2 . 10272 1 144 . 1 1 19 19 LYS HG3 H 1 1.007 0.030 . 2 . . . . 19 LYS HG3 . 10272 1 145 . 1 1 19 19 LYS C C 13 175.995 0.300 . 1 . . . . 19 LYS C . 10272 1 146 . 1 1 19 19 LYS CA C 13 56.489 0.300 . 1 . . . . 19 LYS CA . 10272 1 147 . 1 1 19 19 LYS CB C 13 33.369 0.300 . 1 . . . . 19 LYS CB . 10272 1 148 . 1 1 19 19 LYS CD C 13 30.105 0.300 . 1 . . . . 19 LYS CD . 10272 1 149 . 1 1 19 19 LYS CE C 13 42.419 0.300 . 1 . . . . 19 LYS CE . 10272 1 150 . 1 1 19 19 LYS CG C 13 23.017 0.300 . 1 . . . . 19 LYS CG . 10272 1 151 . 1 1 19 19 LYS N N 15 123.114 0.300 . 1 . . . . 19 LYS N . 10272 1 152 . 1 1 20 20 VAL H H 1 8.679 0.030 . 1 . . . . 20 VAL H . 10272 1 153 . 1 1 20 20 VAL HA H 1 4.153 0.030 . 1 . . . . 20 VAL HA . 10272 1 154 . 1 1 20 20 VAL HB H 1 2.404 0.030 . 1 . . . . 20 VAL HB . 10272 1 155 . 1 1 20 20 VAL HG11 H 1 1.071 0.030 . 1 . . . . 20 VAL HG1 . 10272 1 156 . 1 1 20 20 VAL HG12 H 1 1.071 0.030 . 1 . . . . 20 VAL HG1 . 10272 1 157 . 1 1 20 20 VAL HG13 H 1 1.071 0.030 . 1 . . . . 20 VAL HG1 . 10272 1 158 . 1 1 20 20 VAL HG21 H 1 0.961 0.030 . 1 . . . . 20 VAL HG2 . 10272 1 159 . 1 1 20 20 VAL HG22 H 1 0.961 0.030 . 1 . . . . 20 VAL HG2 . 10272 1 160 . 1 1 20 20 VAL HG23 H 1 0.961 0.030 . 1 . . . . 20 VAL HG2 . 10272 1 161 . 1 1 20 20 VAL C C 13 176.493 0.300 . 1 . . . . 20 VAL C . 10272 1 162 . 1 1 20 20 VAL CA C 13 62.520 0.300 . 1 . . . . 20 VAL CA . 10272 1 163 . 1 1 20 20 VAL CB C 13 32.847 0.300 . 1 . . . . 20 VAL CB . 10272 1 164 . 1 1 20 20 VAL CG1 C 13 20.877 0.300 . 2 . . . . 20 VAL CG1 . 10272 1 165 . 1 1 20 20 VAL CG2 C 13 21.405 0.300 . 2 . . . . 20 VAL CG2 . 10272 1 166 . 1 1 20 20 VAL N N 15 120.106 0.300 . 1 . . . . 20 VAL N . 10272 1 167 . 1 1 21 21 GLN H H 1 7.133 0.030 . 1 . . . . 21 GLN H . 10272 1 168 . 1 1 21 21 GLN HA H 1 4.582 0.030 . 1 . . . . 21 GLN HA . 10272 1 169 . 1 1 21 21 GLN HB2 H 1 2.249 0.030 . 2 . . . . 21 GLN HB2 . 10272 1 170 . 1 1 21 21 GLN HB3 H 1 1.853 0.030 . 2 . . . . 21 GLN HB3 . 10272 1 171 . 1 1 21 21 GLN HE21 H 1 7.560 0.030 . 2 . . . . 21 GLN HE21 . 10272 1 172 . 1 1 21 21 GLN HE22 H 1 6.645 0.030 . 2 . . . . 21 GLN HE22 . 10272 1 173 . 1 1 21 21 GLN HG2 H 1 2.320 0.030 . 2 . . . . 21 GLN HG2 . 10272 1 174 . 1 1 21 21 GLN HG3 H 1 2.218 0.030 . 2 . . . . 21 GLN HG3 . 10272 1 175 . 1 1 21 21 GLN C C 13 177.019 0.300 . 1 . . . . 21 GLN C . 10272 1 176 . 1 1 21 21 GLN CA C 13 54.291 0.300 . 1 . . . . 21 GLN CA . 10272 1 177 . 1 1 21 21 GLN CB C 13 31.023 0.300 . 1 . . . . 21 GLN CB . 10272 1 178 . 1 1 21 21 GLN CG C 13 33.236 0.300 . 1 . . . . 21 GLN CG . 10272 1 179 . 1 1 21 21 GLN N N 15 116.079 0.300 . 1 . . . . 21 GLN N . 10272 1 180 . 1 1 21 21 GLN NE2 N 15 112.373 0.300 . 1 . . . . 21 GLN NE2 . 10272 1 181 . 1 1 22 22 ASP H H 1 8.858 0.030 . 1 . . . . 22 ASP H . 10272 1 182 . 1 1 22 22 ASP HA H 1 4.318 0.030 . 1 . . . . 22 ASP HA . 10272 1 183 . 1 1 22 22 ASP HB2 H 1 2.758 0.030 . 2 . . . . 22 ASP HB2 . 10272 1 184 . 1 1 22 22 ASP HB3 H 1 2.703 0.030 . 2 . . . . 22 ASP HB3 . 10272 1 185 . 1 1 22 22 ASP C C 13 176.746 0.300 . 1 . . . . 22 ASP C . 10272 1 186 . 1 1 22 22 ASP CA C 13 57.752 0.300 . 1 . . . . 22 ASP CA . 10272 1 187 . 1 1 22 22 ASP CB C 13 40.859 0.300 . 1 . . . . 22 ASP CB . 10272 1 188 . 1 1 22 22 ASP N N 15 120.173 0.300 . 1 . . . . 22 ASP N . 10272 1 189 . 1 1 23 23 SER H H 1 7.860 0.030 . 1 . . . . 23 SER H . 10272 1 190 . 1 1 23 23 SER HA H 1 4.648 0.030 . 1 . . . . 23 SER HA . 10272 1 191 . 1 1 23 23 SER HB2 H 1 4.397 0.030 . 2 . . . . 23 SER HB2 . 10272 1 192 . 1 1 23 23 SER HB3 H 1 4.032 0.030 . 2 . . . . 23 SER HB3 . 10272 1 193 . 1 1 23 23 SER C C 13 175.526 0.300 . 1 . . . . 23 SER C . 10272 1 194 . 1 1 23 23 SER CA C 13 58.597 0.300 . 1 . . . . 23 SER CA . 10272 1 195 . 1 1 23 23 SER CB C 13 62.993 0.300 . 1 . . . . 23 SER CB . 10272 1 196 . 1 1 23 23 SER N N 15 110.013 0.300 . 1 . . . . 23 SER N . 10272 1 197 . 1 1 24 24 GLU H H 1 7.579 0.030 . 1 . . . . 24 GLU H . 10272 1 198 . 1 1 24 24 GLU HA H 1 5.574 0.030 . 1 . . . . 24 GLU HA . 10272 1 199 . 1 1 24 24 GLU HB2 H 1 2.762 0.030 . 2 . . . . 24 GLU HB2 . 10272 1 200 . 1 1 24 24 GLU HB3 H 1 2.517 0.030 . 2 . . . . 24 GLU HB3 . 10272 1 201 . 1 1 24 24 GLU HG2 H 1 2.585 0.030 . 2 . . . . 24 GLU HG2 . 10272 1 202 . 1 1 24 24 GLU HG3 H 1 2.184 0.030 . 2 . . . . 24 GLU HG3 . 10272 1 203 . 1 1 24 24 GLU C C 13 174.394 0.300 . 1 . . . . 24 GLU C . 10272 1 204 . 1 1 24 24 GLU CA C 13 55.633 0.300 . 1 . . . . 24 GLU CA . 10272 1 205 . 1 1 24 24 GLU CB C 13 32.848 0.300 . 1 . . . . 24 GLU CB . 10272 1 206 . 1 1 24 24 GLU CG C 13 37.272 0.300 . 1 . . . . 24 GLU CG . 10272 1 207 . 1 1 24 24 GLU N N 15 122.542 0.300 . 1 . . . . 24 GLU N . 10272 1 208 . 1 1 25 25 ILE H H 1 7.894 0.030 . 1 . . . . 25 ILE H . 10272 1 209 . 1 1 25 25 ILE HA H 1 4.661 0.030 . 1 . . . . 25 ILE HA . 10272 1 210 . 1 1 25 25 ILE HB H 1 1.325 0.030 . 1 . . . . 25 ILE HB . 10272 1 211 . 1 1 25 25 ILE HD11 H 1 0.776 0.030 . 1 . . . . 25 ILE HD1 . 10272 1 212 . 1 1 25 25 ILE HD12 H 1 0.776 0.030 . 1 . . . . 25 ILE HD1 . 10272 1 213 . 1 1 25 25 ILE HD13 H 1 0.776 0.030 . 1 . . . . 25 ILE HD1 . 10272 1 214 . 1 1 25 25 ILE HG12 H 1 1.691 0.030 . 2 . . . . 25 ILE HG12 . 10272 1 215 . 1 1 25 25 ILE HG13 H 1 1.450 0.030 . 2 . . . . 25 ILE HG13 . 10272 1 216 . 1 1 25 25 ILE HG21 H 1 0.874 0.030 . 1 . . . . 25 ILE HG2 . 10272 1 217 . 1 1 25 25 ILE HG22 H 1 0.874 0.030 . 1 . . . . 25 ILE HG2 . 10272 1 218 . 1 1 25 25 ILE HG23 H 1 0.874 0.030 . 1 . . . . 25 ILE HG2 . 10272 1 219 . 1 1 25 25 ILE C C 13 171.519 0.300 . 1 . . . . 25 ILE C . 10272 1 220 . 1 1 25 25 ILE CA C 13 58.838 0.300 . 1 . . . . 25 ILE CA . 10272 1 221 . 1 1 25 25 ILE CB C 13 42.673 0.300 . 1 . . . . 25 ILE CB . 10272 1 222 . 1 1 25 25 ILE CD1 C 13 16.055 0.300 . 1 . . . . 25 ILE CD1 . 10272 1 223 . 1 1 25 25 ILE CG1 C 13 28.436 0.300 . 1 . . . . 25 ILE CG1 . 10272 1 224 . 1 1 25 25 ILE CG2 C 13 16.328 0.300 . 1 . . . . 25 ILE CG2 . 10272 1 225 . 1 1 25 25 ILE N N 15 117.944 0.300 . 1 . . . . 25 ILE N . 10272 1 226 . 1 1 26 26 SER H H 1 7.535 0.030 . 1 . . . . 26 SER H . 10272 1 227 . 1 1 26 26 SER HA H 1 4.885 0.030 . 1 . . . . 26 SER HA . 10272 1 228 . 1 1 26 26 SER HB2 H 1 3.938 0.030 . 2 . . . . 26 SER HB2 . 10272 1 229 . 1 1 26 26 SER HB3 H 1 3.649 0.030 . 2 . . . . 26 SER HB3 . 10272 1 230 . 1 1 26 26 SER C C 13 174.052 0.300 . 1 . . . . 26 SER C . 10272 1 231 . 1 1 26 26 SER CA C 13 56.515 0.300 . 1 . . . . 26 SER CA . 10272 1 232 . 1 1 26 26 SER CB C 13 65.131 0.300 . 1 . . . . 26 SER CB . 10272 1 233 . 1 1 26 26 SER N N 15 116.426 0.300 . 1 . . . . 26 SER N . 10272 1 234 . 1 1 27 27 PHE H H 1 8.271 0.030 . 1 . . . . 27 PHE H . 10272 1 235 . 1 1 27 27 PHE HA H 1 4.934 0.030 . 1 . . . . 27 PHE HA . 10272 1 236 . 1 1 27 27 PHE HB2 H 1 2.692 0.030 . 2 . . . . 27 PHE HB2 . 10272 1 237 . 1 1 27 27 PHE HB3 H 1 2.495 0.030 . 2 . . . . 27 PHE HB3 . 10272 1 238 . 1 1 27 27 PHE HD1 H 1 6.910 0.030 . 1 . . . . 27 PHE HD1 . 10272 1 239 . 1 1 27 27 PHE HD2 H 1 6.910 0.030 . 1 . . . . 27 PHE HD2 . 10272 1 240 . 1 1 27 27 PHE HE1 H 1 7.229 0.030 . 1 . . . . 27 PHE HE1 . 10272 1 241 . 1 1 27 27 PHE HE2 H 1 7.229 0.030 . 1 . . . . 27 PHE HE2 . 10272 1 242 . 1 1 27 27 PHE HZ H 1 6.618 0.030 . 1 . . . . 27 PHE HZ . 10272 1 243 . 1 1 27 27 PHE C C 13 173.278 0.300 . 1 . . . . 27 PHE C . 10272 1 244 . 1 1 27 27 PHE CA C 13 53.758 0.300 . 1 . . . . 27 PHE CA . 10272 1 245 . 1 1 27 27 PHE CB C 13 37.379 0.300 . 1 . . . . 27 PHE CB . 10272 1 246 . 1 1 27 27 PHE CD1 C 13 133.429 0.300 . 1 . . . . 27 PHE CD1 . 10272 1 247 . 1 1 27 27 PHE CD2 C 13 133.429 0.300 . 1 . . . . 27 PHE CD2 . 10272 1 248 . 1 1 27 27 PHE CE1 C 13 130.627 0.300 . 1 . . . . 27 PHE CE1 . 10272 1 249 . 1 1 27 27 PHE CE2 C 13 130.627 0.300 . 1 . . . . 27 PHE CE2 . 10272 1 250 . 1 1 27 27 PHE CZ C 13 128.265 0.300 . 1 . . . . 27 PHE CZ . 10272 1 251 . 1 1 27 27 PHE N N 15 116.221 0.300 . 1 . . . . 27 PHE N . 10272 1 252 . 1 1 28 28 PRO HA H 1 4.872 0.030 . 1 . . . . 28 PRO HA . 10272 1 253 . 1 1 28 28 PRO HB2 H 1 2.289 0.030 . 2 . . . . 28 PRO HB2 . 10272 1 254 . 1 1 28 28 PRO HB3 H 1 2.072 0.030 . 2 . . . . 28 PRO HB3 . 10272 1 255 . 1 1 28 28 PRO HD2 H 1 3.783 0.030 . 2 . . . . 28 PRO HD2 . 10272 1 256 . 1 1 28 28 PRO HD3 H 1 3.242 0.030 . 2 . . . . 28 PRO HD3 . 10272 1 257 . 1 1 28 28 PRO HG2 H 1 2.114 0.030 . 2 . . . . 28 PRO HG2 . 10272 1 258 . 1 1 28 28 PRO HG3 H 1 1.828 0.030 . 2 . . . . 28 PRO HG3 . 10272 1 259 . 1 1 28 28 PRO C C 13 176.165 0.300 . 1 . . . . 28 PRO C . 10272 1 260 . 1 1 28 28 PRO CA C 13 61.019 0.300 . 1 . . . . 28 PRO CA . 10272 1 261 . 1 1 28 28 PRO CB C 13 32.410 0.300 . 1 . . . . 28 PRO CB . 10272 1 262 . 1 1 28 28 PRO CD C 13 50.021 0.300 . 1 . . . . 28 PRO CD . 10272 1 263 . 1 1 28 28 PRO CG C 13 26.178 0.300 . 1 . . . . 28 PRO CG . 10272 1 264 . 1 1 29 29 ALA H H 1 8.513 0.030 . 1 . . . . 29 ALA H . 10272 1 265 . 1 1 29 29 ALA HA H 1 3.822 0.030 . 1 . . . . 29 ALA HA . 10272 1 266 . 1 1 29 29 ALA HB1 H 1 1.230 0.030 . 1 . . . . 29 ALA HB . 10272 1 267 . 1 1 29 29 ALA HB2 H 1 1.230 0.030 . 1 . . . . 29 ALA HB . 10272 1 268 . 1 1 29 29 ALA HB3 H 1 1.230 0.030 . 1 . . . . 29 ALA HB . 10272 1 269 . 1 1 29 29 ALA C C 13 178.074 0.300 . 1 . . . . 29 ALA C . 10272 1 270 . 1 1 29 29 ALA CA C 13 52.670 0.300 . 1 . . . . 29 ALA CA . 10272 1 271 . 1 1 29 29 ALA CB C 13 19.721 0.300 . 1 . . . . 29 ALA CB . 10272 1 272 . 1 1 29 29 ALA N N 15 120.286 0.300 . 1 . . . . 29 ALA N . 10272 1 273 . 1 1 30 30 GLY H H 1 8.022 0.030 . 1 . . . . 30 GLY H . 10272 1 274 . 1 1 30 30 GLY HA2 H 1 3.956 0.030 . 2 . . . . 30 GLY HA2 . 10272 1 275 . 1 1 30 30 GLY HA3 H 1 3.733 0.030 . 2 . . . . 30 GLY HA3 . 10272 1 276 . 1 1 30 30 GLY C C 13 174.944 0.300 . 1 . . . . 30 GLY C . 10272 1 277 . 1 1 30 30 GLY CA C 13 46.739 0.300 . 1 . . . . 30 GLY CA . 10272 1 278 . 1 1 30 30 GLY N N 15 110.746 0.300 . 1 . . . . 30 GLY N . 10272 1 279 . 1 1 31 31 VAL H H 1 7.736 0.030 . 1 . . . . 31 VAL H . 10272 1 280 . 1 1 31 31 VAL HA H 1 4.753 0.030 . 1 . . . . 31 VAL HA . 10272 1 281 . 1 1 31 31 VAL HB H 1 2.180 0.030 . 1 . . . . 31 VAL HB . 10272 1 282 . 1 1 31 31 VAL HG11 H 1 0.796 0.030 . 1 . . . . 31 VAL HG1 . 10272 1 283 . 1 1 31 31 VAL HG12 H 1 0.796 0.030 . 1 . . . . 31 VAL HG1 . 10272 1 284 . 1 1 31 31 VAL HG13 H 1 0.796 0.030 . 1 . . . . 31 VAL HG1 . 10272 1 285 . 1 1 31 31 VAL HG21 H 1 0.190 0.030 . 1 . . . . 31 VAL HG2 . 10272 1 286 . 1 1 31 31 VAL HG22 H 1 0.190 0.030 . 1 . . . . 31 VAL HG2 . 10272 1 287 . 1 1 31 31 VAL HG23 H 1 0.190 0.030 . 1 . . . . 31 VAL HG2 . 10272 1 288 . 1 1 31 31 VAL C C 13 173.642 0.300 . 1 . . . . 31 VAL C . 10272 1 289 . 1 1 31 31 VAL CA C 13 58.809 0.300 . 1 . . . . 31 VAL CA . 10272 1 290 . 1 1 31 31 VAL CB C 13 34.719 0.300 . 1 . . . . 31 VAL CB . 10272 1 291 . 1 1 31 31 VAL CG1 C 13 21.945 0.300 . 2 . . . . 31 VAL CG1 . 10272 1 292 . 1 1 31 31 VAL CG2 C 13 18.141 0.300 . 2 . . . . 31 VAL CG2 . 10272 1 293 . 1 1 31 31 VAL N N 15 112.109 0.300 . 1 . . . . 31 VAL N . 10272 1 294 . 1 1 32 32 GLU H H 1 8.264 0.030 . 1 . . . . 32 GLU H . 10272 1 295 . 1 1 32 32 GLU HA H 1 5.090 0.030 . 1 . . . . 32 GLU HA . 10272 1 296 . 1 1 32 32 GLU HB2 H 1 1.982 0.030 . 2 . . . . 32 GLU HB2 . 10272 1 297 . 1 1 32 32 GLU HB3 H 1 1.920 0.030 . 2 . . . . 32 GLU HB3 . 10272 1 298 . 1 1 32 32 GLU HG2 H 1 2.269 0.030 . 2 . . . . 32 GLU HG2 . 10272 1 299 . 1 1 32 32 GLU HG3 H 1 2.110 0.030 . 2 . . . . 32 GLU HG3 . 10272 1 300 . 1 1 32 32 GLU C C 13 176.725 0.300 . 1 . . . . 32 GLU C . 10272 1 301 . 1 1 32 32 GLU CA C 13 55.713 0.300 . 1 . . . . 32 GLU CA . 10272 1 302 . 1 1 32 32 GLU CB C 13 31.615 0.300 . 1 . . . . 32 GLU CB . 10272 1 303 . 1 1 32 32 GLU CG C 13 37.124 0.300 . 1 . . . . 32 GLU CG . 10272 1 304 . 1 1 32 32 GLU N N 15 121.304 0.300 . 1 . . . . 32 GLU N . 10272 1 305 . 1 1 33 33 VAL H H 1 9.136 0.030 . 1 . . . . 33 VAL H . 10272 1 306 . 1 1 33 33 VAL HA H 1 5.001 0.030 . 1 . . . . 33 VAL HA . 10272 1 307 . 1 1 33 33 VAL HB H 1 1.934 0.030 . 1 . . . . 33 VAL HB . 10272 1 308 . 1 1 33 33 VAL HG11 H 1 0.352 0.030 . 1 . . . . 33 VAL HG1 . 10272 1 309 . 1 1 33 33 VAL HG12 H 1 0.352 0.030 . 1 . . . . 33 VAL HG1 . 10272 1 310 . 1 1 33 33 VAL HG13 H 1 0.352 0.030 . 1 . . . . 33 VAL HG1 . 10272 1 311 . 1 1 33 33 VAL HG21 H 1 0.429 0.030 . 1 . . . . 33 VAL HG2 . 10272 1 312 . 1 1 33 33 VAL HG22 H 1 0.429 0.030 . 1 . . . . 33 VAL HG2 . 10272 1 313 . 1 1 33 33 VAL HG23 H 1 0.429 0.030 . 1 . . . . 33 VAL HG2 . 10272 1 314 . 1 1 33 33 VAL C C 13 174.395 0.300 . 1 . . . . 33 VAL C . 10272 1 315 . 1 1 33 33 VAL CA C 13 58.765 0.300 . 1 . . . . 33 VAL CA . 10272 1 316 . 1 1 33 33 VAL CB C 13 34.596 0.300 . 1 . . . . 33 VAL CB . 10272 1 317 . 1 1 33 33 VAL CG1 C 13 21.390 0.300 . 2 . . . . 33 VAL CG1 . 10272 1 318 . 1 1 33 33 VAL CG2 C 13 18.850 0.300 . 2 . . . . 33 VAL CG2 . 10272 1 319 . 1 1 33 33 VAL N N 15 117.728 0.300 . 1 . . . . 33 VAL N . 10272 1 320 . 1 1 34 34 GLN H H 1 8.551 0.030 . 1 . . . . 34 GLN H . 10272 1 321 . 1 1 34 34 GLN HA H 1 5.052 0.030 . 1 . . . . 34 GLN HA . 10272 1 322 . 1 1 34 34 GLN HB2 H 1 2.016 0.030 . 2 . . . . 34 GLN HB2 . 10272 1 323 . 1 1 34 34 GLN HB3 H 1 1.918 0.030 . 2 . . . . 34 GLN HB3 . 10272 1 324 . 1 1 34 34 GLN HE21 H 1 7.489 0.030 . 2 . . . . 34 GLN HE21 . 10272 1 325 . 1 1 34 34 GLN HE22 H 1 6.834 0.030 . 2 . . . . 34 GLN HE22 . 10272 1 326 . 1 1 34 34 GLN HG2 H 1 2.371 0.030 . 2 . . . . 34 GLN HG2 . 10272 1 327 . 1 1 34 34 GLN HG3 H 1 2.286 0.030 . 2 . . . . 34 GLN HG3 . 10272 1 328 . 1 1 34 34 GLN C C 13 175.752 0.300 . 1 . . . . 34 GLN C . 10272 1 329 . 1 1 34 34 GLN CA C 13 54.328 0.300 . 1 . . . . 34 GLN CA . 10272 1 330 . 1 1 34 34 GLN CB C 13 30.760 0.300 . 1 . . . . 34 GLN CB . 10272 1 331 . 1 1 34 34 GLN CG C 13 34.058 0.300 . 1 . . . . 34 GLN CG . 10272 1 332 . 1 1 34 34 GLN N N 15 119.032 0.300 . 1 . . . . 34 GLN N . 10272 1 333 . 1 1 34 34 GLN NE2 N 15 111.979 0.300 . 1 . . . . 34 GLN NE2 . 10272 1 334 . 1 1 35 35 VAL H H 1 9.180 0.030 . 1 . . . . 35 VAL H . 10272 1 335 . 1 1 35 35 VAL HA H 1 4.144 0.030 . 1 . . . . 35 VAL HA . 10272 1 336 . 1 1 35 35 VAL HB H 1 1.908 0.030 . 1 . . . . 35 VAL HB . 10272 1 337 . 1 1 35 35 VAL HG11 H 1 0.765 0.030 . 1 . . . . 35 VAL HG1 . 10272 1 338 . 1 1 35 35 VAL HG12 H 1 0.765 0.030 . 1 . . . . 35 VAL HG1 . 10272 1 339 . 1 1 35 35 VAL HG13 H 1 0.765 0.030 . 1 . . . . 35 VAL HG1 . 10272 1 340 . 1 1 35 35 VAL HG21 H 1 0.417 0.030 . 1 . . . . 35 VAL HG2 . 10272 1 341 . 1 1 35 35 VAL HG22 H 1 0.417 0.030 . 1 . . . . 35 VAL HG2 . 10272 1 342 . 1 1 35 35 VAL HG23 H 1 0.417 0.030 . 1 . . . . 35 VAL HG2 . 10272 1 343 . 1 1 35 35 VAL C C 13 175.602 0.300 . 1 . . . . 35 VAL C . 10272 1 344 . 1 1 35 35 VAL CA C 13 63.035 0.300 . 1 . . . . 35 VAL CA . 10272 1 345 . 1 1 35 35 VAL CB C 13 32.056 0.300 . 1 . . . . 35 VAL CB . 10272 1 346 . 1 1 35 35 VAL CG1 C 13 23.336 0.300 . 2 . . . . 35 VAL CG1 . 10272 1 347 . 1 1 35 35 VAL CG2 C 13 22.129 0.300 . 2 . . . . 35 VAL CG2 . 10272 1 348 . 1 1 35 35 VAL N N 15 124.135 0.300 . 1 . . . . 35 VAL N . 10272 1 349 . 1 1 36 36 LEU H H 1 9.175 0.030 . 1 . . . . 36 LEU H . 10272 1 350 . 1 1 36 36 LEU HA H 1 4.429 0.030 . 1 . . . . 36 LEU HA . 10272 1 351 . 1 1 36 36 LEU HB2 H 1 1.678 0.030 . 1 . . . . 36 LEU HB2 . 10272 1 352 . 1 1 36 36 LEU HB3 H 1 1.678 0.030 . 1 . . . . 36 LEU HB3 . 10272 1 353 . 1 1 36 36 LEU HD11 H 1 0.781 0.030 . 1 . . . . 36 LEU HD1 . 10272 1 354 . 1 1 36 36 LEU HD12 H 1 0.781 0.030 . 1 . . . . 36 LEU HD1 . 10272 1 355 . 1 1 36 36 LEU HD13 H 1 0.781 0.030 . 1 . . . . 36 LEU HD1 . 10272 1 356 . 1 1 36 36 LEU HD21 H 1 0.755 0.030 . 1 . . . . 36 LEU HD2 . 10272 1 357 . 1 1 36 36 LEU HD22 H 1 0.755 0.030 . 1 . . . . 36 LEU HD2 . 10272 1 358 . 1 1 36 36 LEU HD23 H 1 0.755 0.030 . 1 . . . . 36 LEU HD2 . 10272 1 359 . 1 1 36 36 LEU HG H 1 1.599 0.030 . 1 . . . . 36 LEU HG . 10272 1 360 . 1 1 36 36 LEU C C 13 177.299 0.300 . 1 . . . . 36 LEU C . 10272 1 361 . 1 1 36 36 LEU CA C 13 55.785 0.300 . 1 . . . . 36 LEU CA . 10272 1 362 . 1 1 36 36 LEU CB C 13 42.924 0.300 . 1 . . . . 36 LEU CB . 10272 1 363 . 1 1 36 36 LEU CD1 C 13 25.335 0.300 . 2 . . . . 36 LEU CD1 . 10272 1 364 . 1 1 36 36 LEU CD2 C 13 22.934 0.300 . 2 . . . . 36 LEU CD2 . 10272 1 365 . 1 1 36 36 LEU CG C 13 27.714 0.300 . 1 . . . . 36 LEU CG . 10272 1 366 . 1 1 36 36 LEU N N 15 129.320 0.300 . 1 . . . . 36 LEU N . 10272 1 367 . 1 1 37 37 GLU H H 1 7.569 0.030 . 1 . . . . 37 GLU H . 10272 1 368 . 1 1 37 37 GLU HA H 1 4.414 0.030 . 1 . . . . 37 GLU HA . 10272 1 369 . 1 1 37 37 GLU HB2 H 1 1.940 0.030 . 2 . . . . 37 GLU HB2 . 10272 1 370 . 1 1 37 37 GLU HB3 H 1 1.865 0.030 . 2 . . . . 37 GLU HB3 . 10272 1 371 . 1 1 37 37 GLU HG2 H 1 2.245 0.030 . 2 . . . . 37 GLU HG2 . 10272 1 372 . 1 1 37 37 GLU HG3 H 1 2.138 0.030 . 2 . . . . 37 GLU HG3 . 10272 1 373 . 1 1 37 37 GLU C C 13 174.132 0.300 . 1 . . . . 37 GLU C . 10272 1 374 . 1 1 37 37 GLU CA C 13 56.244 0.300 . 1 . . . . 37 GLU CA . 10272 1 375 . 1 1 37 37 GLU CB C 13 33.236 0.300 . 1 . . . . 37 GLU CB . 10272 1 376 . 1 1 37 37 GLU CG C 13 36.368 0.300 . 1 . . . . 37 GLU CG . 10272 1 377 . 1 1 37 37 GLU N N 15 116.925 0.300 . 1 . . . . 37 GLU N . 10272 1 378 . 1 1 38 38 LYS H H 1 8.693 0.030 . 1 . . . . 38 LYS H . 10272 1 379 . 1 1 38 38 LYS HA H 1 4.181 0.030 . 1 . . . . 38 LYS HA . 10272 1 380 . 1 1 38 38 LYS HB2 H 1 1.316 0.030 . 2 . . . . 38 LYS HB2 . 10272 1 381 . 1 1 38 38 LYS HB3 H 1 1.101 0.030 . 2 . . . . 38 LYS HB3 . 10272 1 382 . 1 1 38 38 LYS HD2 H 1 1.072 0.030 . 2 . . . . 38 LYS HD2 . 10272 1 383 . 1 1 38 38 LYS HD3 H 1 0.874 0.030 . 2 . . . . 38 LYS HD3 . 10272 1 384 . 1 1 38 38 LYS HE2 H 1 2.228 0.030 . 2 . . . . 38 LYS HE2 . 10272 1 385 . 1 1 38 38 LYS HE3 H 1 1.406 0.030 . 2 . . . . 38 LYS HE3 . 10272 1 386 . 1 1 38 38 LYS HG2 H 1 0.422 0.030 . 2 . . . . 38 LYS HG2 . 10272 1 387 . 1 1 38 38 LYS HG3 H 1 -1.159 0.030 . 2 . . . . 38 LYS HG3 . 10272 1 388 . 1 1 38 38 LYS C C 13 175.877 0.300 . 1 . . . . 38 LYS C . 10272 1 389 . 1 1 38 38 LYS CA C 13 55.579 0.300 . 1 . . . . 38 LYS CA . 10272 1 390 . 1 1 38 38 LYS CB C 13 34.965 0.300 . 1 . . . . 38 LYS CB . 10272 1 391 . 1 1 38 38 LYS CD C 13 30.022 0.300 . 1 . . . . 38 LYS CD . 10272 1 392 . 1 1 38 38 LYS CE C 13 41.581 0.300 . 1 . . . . 38 LYS CE . 10272 1 393 . 1 1 38 38 LYS CG C 13 24.171 0.300 . 1 . . . . 38 LYS CG . 10272 1 394 . 1 1 38 38 LYS N N 15 124.828 0.300 . 1 . . . . 38 LYS N . 10272 1 395 . 1 1 39 39 GLN H H 1 7.682 0.030 . 1 . . . . 39 GLN H . 10272 1 396 . 1 1 39 39 GLN HA H 1 4.896 0.030 . 1 . . . . 39 GLN HA . 10272 1 397 . 1 1 39 39 GLN HB2 H 1 2.712 0.030 . 2 . . . . 39 GLN HB2 . 10272 1 398 . 1 1 39 39 GLN HB3 H 1 2.573 0.030 . 2 . . . . 39 GLN HB3 . 10272 1 399 . 1 1 39 39 GLN HE21 H 1 7.397 0.030 . 2 . . . . 39 GLN HE21 . 10272 1 400 . 1 1 39 39 GLN HE22 H 1 6.624 0.030 . 2 . . . . 39 GLN HE22 . 10272 1 401 . 1 1 39 39 GLN HG2 H 1 2.698 0.030 . 2 . . . . 39 GLN HG2 . 10272 1 402 . 1 1 39 39 GLN HG3 H 1 2.590 0.030 . 2 . . . . 39 GLN HG3 . 10272 1 403 . 1 1 39 39 GLN C C 13 177.964 0.300 . 1 . . . . 39 GLN C . 10272 1 404 . 1 1 39 39 GLN CA C 13 55.324 0.300 . 1 . . . . 39 GLN CA . 10272 1 405 . 1 1 39 39 GLN CB C 13 31.670 0.300 . 1 . . . . 39 GLN CB . 10272 1 406 . 1 1 39 39 GLN CG C 13 34.612 0.300 . 1 . . . . 39 GLN CG . 10272 1 407 . 1 1 39 39 GLN N N 15 119.391 0.300 . 1 . . . . 39 GLN N . 10272 1 408 . 1 1 39 39 GLN NE2 N 15 112.619 0.300 . 1 . . . . 39 GLN NE2 . 10272 1 409 . 1 1 40 40 GLU HA H 1 4.308 0.030 . 1 . . . . 40 GLU HA . 10272 1 410 . 1 1 40 40 GLU HB2 H 1 2.241 0.030 . 2 . . . . 40 GLU HB2 . 10272 1 411 . 1 1 40 40 GLU HB3 H 1 2.119 0.030 . 2 . . . . 40 GLU HB3 . 10272 1 412 . 1 1 40 40 GLU HG2 H 1 2.421 0.030 . 1 . . . . 40 GLU HG2 . 10272 1 413 . 1 1 40 40 GLU HG3 H 1 2.421 0.030 . 1 . . . . 40 GLU HG3 . 10272 1 414 . 1 1 40 40 GLU C C 13 176.777 0.300 . 1 . . . . 40 GLU C . 10272 1 415 . 1 1 40 40 GLU CA C 13 58.541 0.300 . 1 . . . . 40 GLU CA . 10272 1 416 . 1 1 40 40 GLU CB C 13 29.363 0.300 . 1 . . . . 40 GLU CB . 10272 1 417 . 1 1 40 40 GLU CG C 13 36.441 0.300 . 1 . . . . 40 GLU CG . 10272 1 418 . 1 1 41 41 SER H H 1 7.986 0.030 . 1 . . . . 41 SER H . 10272 1 419 . 1 1 41 41 SER HA H 1 4.413 0.030 . 1 . . . . 41 SER HA . 10272 1 420 . 1 1 41 41 SER HB2 H 1 4.206 0.030 . 2 . . . . 41 SER HB2 . 10272 1 421 . 1 1 41 41 SER HB3 H 1 4.094 0.030 . 2 . . . . 41 SER HB3 . 10272 1 422 . 1 1 41 41 SER C C 13 175.434 0.300 . 1 . . . . 41 SER C . 10272 1 423 . 1 1 41 41 SER CA C 13 58.707 0.300 . 1 . . . . 41 SER CA . 10272 1 424 . 1 1 41 41 SER CB C 13 63.871 0.300 . 1 . . . . 41 SER CB . 10272 1 425 . 1 1 41 41 SER N N 15 113.216 0.300 . 1 . . . . 41 SER N . 10272 1 426 . 1 1 42 42 GLY H H 1 8.135 0.030 . 1 . . . . 42 GLY H . 10272 1 427 . 1 1 42 42 GLY HA2 H 1 4.347 0.030 . 2 . . . . 42 GLY HA2 . 10272 1 428 . 1 1 42 42 GLY HA3 H 1 3.625 0.030 . 2 . . . . 42 GLY HA3 . 10272 1 429 . 1 1 42 42 GLY C C 13 173.338 0.300 . 1 . . . . 42 GLY C . 10272 1 430 . 1 1 42 42 GLY CA C 13 44.998 0.300 . 1 . . . . 42 GLY CA . 10272 1 431 . 1 1 42 42 GLY N N 15 108.513 0.300 . 1 . . . . 42 GLY N . 10272 1 432 . 1 1 43 43 TRP H H 1 7.820 0.030 . 1 . . . . 43 TRP H . 10272 1 433 . 1 1 43 43 TRP HA H 1 4.942 0.030 . 1 . . . . 43 TRP HA . 10272 1 434 . 1 1 43 43 TRP HB2 H 1 3.253 0.030 . 2 . . . . 43 TRP HB2 . 10272 1 435 . 1 1 43 43 TRP HB3 H 1 2.861 0.030 . 2 . . . . 43 TRP HB3 . 10272 1 436 . 1 1 43 43 TRP HD1 H 1 7.009 0.030 . 1 . . . . 43 TRP HD1 . 10272 1 437 . 1 1 43 43 TRP HE1 H 1 10.085 0.030 . 1 . . . . 43 TRP HE1 . 10272 1 438 . 1 1 43 43 TRP HE3 H 1 7.366 0.030 . 1 . . . . 43 TRP HE3 . 10272 1 439 . 1 1 43 43 TRP HH2 H 1 7.300 0.030 . 1 . . . . 43 TRP HH2 . 10272 1 440 . 1 1 43 43 TRP HZ2 H 1 7.455 0.030 . 1 . . . . 43 TRP HZ2 . 10272 1 441 . 1 1 43 43 TRP HZ3 H 1 6.804 0.030 . 1 . . . . 43 TRP HZ3 . 10272 1 442 . 1 1 43 43 TRP C C 13 174.648 0.300 . 1 . . . . 43 TRP C . 10272 1 443 . 1 1 43 43 TRP CA C 13 57.245 0.300 . 1 . . . . 43 TRP CA . 10272 1 444 . 1 1 43 43 TRP CB C 13 30.102 0.300 . 1 . . . . 43 TRP CB . 10272 1 445 . 1 1 43 43 TRP CD1 C 13 126.801 0.300 . 1 . . . . 43 TRP CD1 . 10272 1 446 . 1 1 43 43 TRP CE3 C 13 119.237 0.300 . 1 . . . . 43 TRP CE3 . 10272 1 447 . 1 1 43 43 TRP CH2 C 13 125.765 0.300 . 1 . . . . 43 TRP CH2 . 10272 1 448 . 1 1 43 43 TRP CZ2 C 13 114.657 0.300 . 1 . . . . 43 TRP CZ2 . 10272 1 449 . 1 1 43 43 TRP CZ3 C 13 121.126 0.300 . 1 . . . . 43 TRP CZ3 . 10272 1 450 . 1 1 43 43 TRP N N 15 122.320 0.300 . 1 . . . . 43 TRP N . 10272 1 451 . 1 1 43 43 TRP NE1 N 15 129.517 0.300 . 1 . . . . 43 TRP NE1 . 10272 1 452 . 1 1 44 44 TRP H H 1 9.769 0.030 . 1 . . . . 44 TRP H . 10272 1 453 . 1 1 44 44 TRP HA H 1 5.875 0.030 . 1 . . . . 44 TRP HA . 10272 1 454 . 1 1 44 44 TRP HB2 H 1 3.094 0.030 . 2 . . . . 44 TRP HB2 . 10272 1 455 . 1 1 44 44 TRP HB3 H 1 2.879 0.030 . 2 . . . . 44 TRP HB3 . 10272 1 456 . 1 1 44 44 TRP HD1 H 1 7.443 0.030 . 1 . . . . 44 TRP HD1 . 10272 1 457 . 1 1 44 44 TRP HE1 H 1 10.404 0.030 . 1 . . . . 44 TRP HE1 . 10272 1 458 . 1 1 44 44 TRP HE3 H 1 6.816 0.030 . 1 . . . . 44 TRP HE3 . 10272 1 459 . 1 1 44 44 TRP HH2 H 1 7.060 0.030 . 1 . . . . 44 TRP HH2 . 10272 1 460 . 1 1 44 44 TRP HZ2 H 1 7.460 0.030 . 1 . . . . 44 TRP HZ2 . 10272 1 461 . 1 1 44 44 TRP HZ3 H 1 5.705 0.030 . 1 . . . . 44 TRP HZ3 . 10272 1 462 . 1 1 44 44 TRP C C 13 173.703 0.300 . 1 . . . . 44 TRP C . 10272 1 463 . 1 1 44 44 TRP CA C 13 53.298 0.300 . 1 . . . . 44 TRP CA . 10272 1 464 . 1 1 44 44 TRP CB C 13 32.961 0.300 . 1 . . . . 44 TRP CB . 10272 1 465 . 1 1 44 44 TRP CD1 C 13 122.423 0.300 . 1 . . . . 44 TRP CD1 . 10272 1 466 . 1 1 44 44 TRP CE3 C 13 121.318 0.300 . 1 . . . . 44 TRP CE3 . 10272 1 467 . 1 1 44 44 TRP CH2 C 13 125.528 0.300 . 1 . . . . 44 TRP CH2 . 10272 1 468 . 1 1 44 44 TRP CZ2 C 13 114.093 0.300 . 1 . . . . 44 TRP CZ2 . 10272 1 469 . 1 1 44 44 TRP CZ3 C 13 121.352 0.300 . 1 . . . . 44 TRP CZ3 . 10272 1 470 . 1 1 44 44 TRP N N 15 125.138 0.300 . 1 . . . . 44 TRP N . 10272 1 471 . 1 1 44 44 TRP NE1 N 15 127.723 0.300 . 1 . . . . 44 TRP NE1 . 10272 1 472 . 1 1 45 45 TYR H H 1 9.168 0.030 . 1 . . . . 45 TYR H . 10272 1 473 . 1 1 45 45 TYR HA H 1 4.173 0.030 . 1 . . . . 45 TYR HA . 10272 1 474 . 1 1 45 45 TYR HB2 H 1 2.346 0.030 . 2 . . . . 45 TYR HB2 . 10272 1 475 . 1 1 45 45 TYR HB3 H 1 0.933 0.030 . 2 . . . . 45 TYR HB3 . 10272 1 476 . 1 1 45 45 TYR HD1 H 1 5.543 0.030 . 1 . . . . 45 TYR HD1 . 10272 1 477 . 1 1 45 45 TYR HD2 H 1 5.543 0.030 . 1 . . . . 45 TYR HD2 . 10272 1 478 . 1 1 45 45 TYR HE1 H 1 6.496 0.030 . 1 . . . . 45 TYR HE1 . 10272 1 479 . 1 1 45 45 TYR HE2 H 1 6.496 0.030 . 1 . . . . 45 TYR HE2 . 10272 1 480 . 1 1 45 45 TYR C C 13 175.086 0.300 . 1 . . . . 45 TYR C . 10272 1 481 . 1 1 45 45 TYR CA C 13 58.044 0.300 . 1 . . . . 45 TYR CA . 10272 1 482 . 1 1 45 45 TYR CB C 13 38.792 0.300 . 1 . . . . 45 TYR CB . 10272 1 483 . 1 1 45 45 TYR CD1 C 13 132.403 0.300 . 1 . . . . 45 TYR CD1 . 10272 1 484 . 1 1 45 45 TYR CD2 C 13 132.403 0.300 . 1 . . . . 45 TYR CD2 . 10272 1 485 . 1 1 45 45 TYR CE1 C 13 117.766 0.300 . 1 . . . . 45 TYR CE1 . 10272 1 486 . 1 1 45 45 TYR CE2 C 13 117.766 0.300 . 1 . . . . 45 TYR CE2 . 10272 1 487 . 1 1 45 45 TYR N N 15 127.429 0.300 . 1 . . . . 45 TYR N . 10272 1 488 . 1 1 46 46 VAL H H 1 8.689 0.030 . 1 . . . . 46 VAL H . 10272 1 489 . 1 1 46 46 VAL HA H 1 5.142 0.030 . 1 . . . . 46 VAL HA . 10272 1 490 . 1 1 46 46 VAL HB H 1 1.929 0.030 . 1 . . . . 46 VAL HB . 10272 1 491 . 1 1 46 46 VAL HG11 H 1 0.794 0.030 . 1 . . . . 46 VAL HG1 . 10272 1 492 . 1 1 46 46 VAL HG12 H 1 0.794 0.030 . 1 . . . . 46 VAL HG1 . 10272 1 493 . 1 1 46 46 VAL HG13 H 1 0.794 0.030 . 1 . . . . 46 VAL HG1 . 10272 1 494 . 1 1 46 46 VAL HG21 H 1 0.765 0.030 . 1 . . . . 46 VAL HG2 . 10272 1 495 . 1 1 46 46 VAL HG22 H 1 0.765 0.030 . 1 . . . . 46 VAL HG2 . 10272 1 496 . 1 1 46 46 VAL HG23 H 1 0.765 0.030 . 1 . . . . 46 VAL HG2 . 10272 1 497 . 1 1 46 46 VAL C C 13 172.384 0.300 . 1 . . . . 46 VAL C . 10272 1 498 . 1 1 46 46 VAL CA C 13 59.010 0.300 . 1 . . . . 46 VAL CA . 10272 1 499 . 1 1 46 46 VAL CB C 13 35.502 0.300 . 1 . . . . 46 VAL CB . 10272 1 500 . 1 1 46 46 VAL CG1 C 13 21.945 0.300 . 2 . . . . 46 VAL CG1 . 10272 1 501 . 1 1 46 46 VAL CG2 C 13 20.239 0.300 . 2 . . . . 46 VAL CG2 . 10272 1 502 . 1 1 46 46 VAL N N 15 124.245 0.300 . 1 . . . . 46 VAL N . 10272 1 503 . 1 1 47 47 ARG H H 1 9.049 0.030 . 1 . . . . 47 ARG H . 10272 1 504 . 1 1 47 47 ARG HA H 1 5.163 0.030 . 1 . . . . 47 ARG HA . 10272 1 505 . 1 1 47 47 ARG HB2 H 1 1.721 0.030 . 2 . . . . 47 ARG HB2 . 10272 1 506 . 1 1 47 47 ARG HB3 H 1 1.532 0.030 . 2 . . . . 47 ARG HB3 . 10272 1 507 . 1 1 47 47 ARG HD2 H 1 3.250 0.030 . 2 . . . . 47 ARG HD2 . 10272 1 508 . 1 1 47 47 ARG HD3 H 1 3.190 0.030 . 2 . . . . 47 ARG HD3 . 10272 1 509 . 1 1 47 47 ARG HE H 1 7.178 0.030 . 1 . . . . 47 ARG HE . 10272 1 510 . 1 1 47 47 ARG HG2 H 1 1.524 0.030 . 1 . . . . 47 ARG HG2 . 10272 1 511 . 1 1 47 47 ARG HG3 H 1 1.524 0.030 . 1 . . . . 47 ARG HG3 . 10272 1 512 . 1 1 47 47 ARG C C 13 175.057 0.300 . 1 . . . . 47 ARG C . 10272 1 513 . 1 1 47 47 ARG CA C 13 54.158 0.300 . 1 . . . . 47 ARG CA . 10272 1 514 . 1 1 47 47 ARG CB C 13 34.146 0.300 . 1 . . . . 47 ARG CB . 10272 1 515 . 1 1 47 47 ARG CD C 13 43.796 0.300 . 1 . . . . 47 ARG CD . 10272 1 516 . 1 1 47 47 ARG CG C 13 27.323 0.300 . 1 . . . . 47 ARG CG . 10272 1 517 . 1 1 47 47 ARG N N 15 120.700 0.300 . 1 . . . . 47 ARG N . 10272 1 518 . 1 1 47 47 ARG NE N 15 84.792 0.300 . 1 . . . . 47 ARG NE . 10272 1 519 . 1 1 48 48 PHE H H 1 9.042 0.030 . 1 . . . . 48 PHE H . 10272 1 520 . 1 1 48 48 PHE HA H 1 5.296 0.030 . 1 . . . . 48 PHE HA . 10272 1 521 . 1 1 48 48 PHE HB2 H 1 3.015 0.030 . 2 . . . . 48 PHE HB2 . 10272 1 522 . 1 1 48 48 PHE HB3 H 1 2.943 0.030 . 2 . . . . 48 PHE HB3 . 10272 1 523 . 1 1 48 48 PHE HD1 H 1 7.416 0.030 . 1 . . . . 48 PHE HD1 . 10272 1 524 . 1 1 48 48 PHE HD2 H 1 7.416 0.030 . 1 . . . . 48 PHE HD2 . 10272 1 525 . 1 1 48 48 PHE HE1 H 1 7.484 0.030 . 1 . . . . 48 PHE HE1 . 10272 1 526 . 1 1 48 48 PHE HE2 H 1 7.484 0.030 . 1 . . . . 48 PHE HE2 . 10272 1 527 . 1 1 48 48 PHE HZ H 1 7.339 0.030 . 1 . . . . 48 PHE HZ . 10272 1 528 . 1 1 48 48 PHE C C 13 175.133 0.300 . 1 . . . . 48 PHE C . 10272 1 529 . 1 1 48 48 PHE CA C 13 54.446 0.300 . 1 . . . . 48 PHE CA . 10272 1 530 . 1 1 48 48 PHE CB C 13 40.369 0.300 . 1 . . . . 48 PHE CB . 10272 1 531 . 1 1 48 48 PHE CD1 C 13 131.173 0.300 . 1 . . . . 48 PHE CD1 . 10272 1 532 . 1 1 48 48 PHE CD2 C 13 131.173 0.300 . 1 . . . . 48 PHE CD2 . 10272 1 533 . 1 1 48 48 PHE CE1 C 13 131.670 0.300 . 1 . . . . 48 PHE CE1 . 10272 1 534 . 1 1 48 48 PHE CE2 C 13 131.670 0.300 . 1 . . . . 48 PHE CE2 . 10272 1 535 . 1 1 48 48 PHE CZ C 13 129.742 0.300 . 1 . . . . 48 PHE CZ . 10272 1 536 . 1 1 48 48 PHE N N 15 128.029 0.300 . 1 . . . . 48 PHE N . 10272 1 537 . 1 1 49 49 GLY H H 1 9.103 0.030 . 1 . . . . 49 GLY H . 10272 1 538 . 1 1 49 49 GLY HA2 H 1 3.644 0.030 . 2 . . . . 49 GLY HA2 . 10272 1 539 . 1 1 49 49 GLY HA3 H 1 3.503 0.030 . 2 . . . . 49 GLY HA3 . 10272 1 540 . 1 1 49 49 GLY C C 13 174.287 0.300 . 1 . . . . 49 GLY C . 10272 1 541 . 1 1 49 49 GLY CA C 13 47.008 0.300 . 1 . . . . 49 GLY CA . 10272 1 542 . 1 1 49 49 GLY N N 15 118.890 0.300 . 1 . . . . 49 GLY N . 10272 1 543 . 1 1 50 50 GLU H H 1 8.920 0.030 . 1 . . . . 50 GLU H . 10272 1 544 . 1 1 50 50 GLU HA H 1 4.333 0.030 . 1 . . . . 50 GLU HA . 10272 1 545 . 1 1 50 50 GLU HB2 H 1 2.226 0.030 . 2 . . . . 50 GLU HB2 . 10272 1 546 . 1 1 50 50 GLU HB3 H 1 1.831 0.030 . 2 . . . . 50 GLU HB3 . 10272 1 547 . 1 1 50 50 GLU HG2 H 1 2.230 0.030 . 2 . . . . 50 GLU HG2 . 10272 1 548 . 1 1 50 50 GLU HG3 H 1 2.180 0.030 . 2 . . . . 50 GLU HG3 . 10272 1 549 . 1 1 50 50 GLU C C 13 176.000 0.300 . 1 . . . . 50 GLU C . 10272 1 550 . 1 1 50 50 GLU CA C 13 56.080 0.300 . 1 . . . . 50 GLU CA . 10272 1 551 . 1 1 50 50 GLU CB C 13 30.022 0.300 . 1 . . . . 50 GLU CB . 10272 1 552 . 1 1 50 50 GLU CG C 13 36.372 0.300 . 1 . . . . 50 GLU CG . 10272 1 553 . 1 1 50 50 GLU N N 15 125.280 0.300 . 1 . . . . 50 GLU N . 10272 1 554 . 1 1 51 51 LEU H H 1 7.792 0.030 . 1 . . . . 51 LEU H . 10272 1 555 . 1 1 51 51 LEU HA H 1 4.635 0.030 . 1 . . . . 51 LEU HA . 10272 1 556 . 1 1 51 51 LEU HB2 H 1 2.080 0.030 . 2 . . . . 51 LEU HB2 . 10272 1 557 . 1 1 51 51 LEU HB3 H 1 1.589 0.030 . 2 . . . . 51 LEU HB3 . 10272 1 558 . 1 1 51 51 LEU HD11 H 1 1.084 0.030 . 1 . . . . 51 LEU HD1 . 10272 1 559 . 1 1 51 51 LEU HD12 H 1 1.084 0.030 . 1 . . . . 51 LEU HD1 . 10272 1 560 . 1 1 51 51 LEU HD13 H 1 1.084 0.030 . 1 . . . . 51 LEU HD1 . 10272 1 561 . 1 1 51 51 LEU HD21 H 1 0.968 0.030 . 1 . . . . 51 LEU HD2 . 10272 1 562 . 1 1 51 51 LEU HD22 H 1 0.968 0.030 . 1 . . . . 51 LEU HD2 . 10272 1 563 . 1 1 51 51 LEU HD23 H 1 0.968 0.030 . 1 . . . . 51 LEU HD2 . 10272 1 564 . 1 1 51 51 LEU HG H 1 1.700 0.030 . 1 . . . . 51 LEU HG . 10272 1 565 . 1 1 51 51 LEU C C 13 175.050 0.300 . 1 . . . . 51 LEU C . 10272 1 566 . 1 1 51 51 LEU CA C 13 54.074 0.300 . 1 . . . . 51 LEU CA . 10272 1 567 . 1 1 51 51 LEU CB C 13 44.171 0.300 . 1 . . . . 51 LEU CB . 10272 1 568 . 1 1 51 51 LEU CD1 C 13 25.617 0.300 . 2 . . . . 51 LEU CD1 . 10272 1 569 . 1 1 51 51 LEU CD2 C 13 23.017 0.300 . 2 . . . . 51 LEU CD2 . 10272 1 570 . 1 1 51 51 LEU CG C 13 27.095 0.300 . 1 . . . . 51 LEU CG . 10272 1 571 . 1 1 51 51 LEU N N 15 121.706 0.300 . 1 . . . . 51 LEU N . 10272 1 572 . 1 1 52 52 GLU H H 1 8.165 0.030 . 1 . . . . 52 GLU H . 10272 1 573 . 1 1 52 52 GLU HA H 1 5.476 0.030 . 1 . . . . 52 GLU HA . 10272 1 574 . 1 1 52 52 GLU HB2 H 1 1.698 0.030 . 1 . . . . 52 GLU HB2 . 10272 1 575 . 1 1 52 52 GLU HB3 H 1 1.698 0.030 . 1 . . . . 52 GLU HB3 . 10272 1 576 . 1 1 52 52 GLU HG2 H 1 2.138 0.030 . 2 . . . . 52 GLU HG2 . 10272 1 577 . 1 1 52 52 GLU HG3 H 1 1.994 0.030 . 2 . . . . 52 GLU HG3 . 10272 1 578 . 1 1 52 52 GLU C C 13 176.062 0.300 . 1 . . . . 52 GLU C . 10272 1 579 . 1 1 52 52 GLU CA C 13 53.810 0.300 . 1 . . . . 52 GLU CA . 10272 1 580 . 1 1 52 52 GLU CB C 13 33.486 0.300 . 1 . . . . 52 GLU CB . 10272 1 581 . 1 1 52 52 GLU CG C 13 36.057 0.300 . 1 . . . . 52 GLU CG . 10272 1 582 . 1 1 52 52 GLU N N 15 116.700 0.300 . 1 . . . . 52 GLU N . 10272 1 583 . 1 1 53 53 GLY H H 1 8.091 0.030 . 1 . . . . 53 GLY H . 10272 1 584 . 1 1 53 53 GLY HA2 H 1 3.882 0.030 . 2 . . . . 53 GLY HA2 . 10272 1 585 . 1 1 53 53 GLY HA3 H 1 3.730 0.030 . 2 . . . . 53 GLY HA3 . 10272 1 586 . 1 1 53 53 GLY C C 13 170.279 0.300 . 1 . . . . 53 GLY C . 10272 1 587 . 1 1 53 53 GLY CA C 13 45.344 0.300 . 1 . . . . 53 GLY CA . 10272 1 588 . 1 1 53 53 GLY N N 15 106.613 0.300 . 1 . . . . 53 GLY N . 10272 1 589 . 1 1 54 54 TRP H H 1 8.595 0.030 . 1 . . . . 54 TRP H . 10272 1 590 . 1 1 54 54 TRP HA H 1 5.348 0.030 . 1 . . . . 54 TRP HA . 10272 1 591 . 1 1 54 54 TRP HB2 H 1 3.460 0.030 . 2 . . . . 54 TRP HB2 . 10272 1 592 . 1 1 54 54 TRP HB3 H 1 3.038 0.030 . 2 . . . . 54 TRP HB3 . 10272 1 593 . 1 1 54 54 TRP HD1 H 1 7.505 0.030 . 1 . . . . 54 TRP HD1 . 10272 1 594 . 1 1 54 54 TRP HE1 H 1 10.381 0.030 . 1 . . . . 54 TRP HE1 . 10272 1 595 . 1 1 54 54 TRP HE3 H 1 7.553 0.030 . 1 . . . . 54 TRP HE3 . 10272 1 596 . 1 1 54 54 TRP HH2 H 1 7.133 0.030 . 1 . . . . 54 TRP HH2 . 10272 1 597 . 1 1 54 54 TRP HZ2 H 1 7.360 0.030 . 1 . . . . 54 TRP HZ2 . 10272 1 598 . 1 1 54 54 TRP HZ3 H 1 7.198 0.030 . 1 . . . . 54 TRP HZ3 . 10272 1 599 . 1 1 54 54 TRP C C 13 175.873 0.300 . 1 . . . . 54 TRP C . 10272 1 600 . 1 1 54 54 TRP CA C 13 57.602 0.300 . 1 . . . . 54 TRP CA . 10272 1 601 . 1 1 54 54 TRP CB C 13 31.176 0.300 . 1 . . . . 54 TRP CB . 10272 1 602 . 1 1 54 54 TRP CD1 C 13 128.415 0.300 . 1 . . . . 54 TRP CD1 . 10272 1 603 . 1 1 54 54 TRP CE3 C 13 120.059 0.300 . 1 . . . . 54 TRP CE3 . 10272 1 604 . 1 1 54 54 TRP CH2 C 13 124.357 0.300 . 1 . . . . 54 TRP CH2 . 10272 1 605 . 1 1 54 54 TRP CZ2 C 13 115.367 0.300 . 1 . . . . 54 TRP CZ2 . 10272 1 606 . 1 1 54 54 TRP CZ3 C 13 122.610 0.300 . 1 . . . . 54 TRP CZ3 . 10272 1 607 . 1 1 54 54 TRP N N 15 120.550 0.300 . 1 . . . . 54 TRP N . 10272 1 608 . 1 1 54 54 TRP NE1 N 15 130.292 0.300 . 1 . . . . 54 TRP NE1 . 10272 1 609 . 1 1 55 55 ALA H H 1 9.993 0.030 . 1 . . . . 55 ALA H . 10272 1 610 . 1 1 55 55 ALA HA H 1 4.978 0.030 . 1 . . . . 55 ALA HA . 10272 1 611 . 1 1 55 55 ALA HB1 H 1 1.200 0.030 . 1 . . . . 55 ALA HB . 10272 1 612 . 1 1 55 55 ALA HB2 H 1 1.200 0.030 . 1 . . . . 55 ALA HB . 10272 1 613 . 1 1 55 55 ALA HB3 H 1 1.200 0.030 . 1 . . . . 55 ALA HB . 10272 1 614 . 1 1 55 55 ALA C C 13 173.642 0.300 . 1 . . . . 55 ALA C . 10272 1 615 . 1 1 55 55 ALA CA C 13 49.335 0.300 . 1 . . . . 55 ALA CA . 10272 1 616 . 1 1 55 55 ALA CB C 13 22.101 0.300 . 1 . . . . 55 ALA CB . 10272 1 617 . 1 1 55 55 ALA N N 15 122.386 0.300 . 1 . . . . 55 ALA N . 10272 1 618 . 1 1 56 56 PRO HA H 1 3.586 0.030 . 1 . . . . 56 PRO HA . 10272 1 619 . 1 1 56 56 PRO HB2 H 1 1.126 0.030 . 2 . . . . 56 PRO HB2 . 10272 1 620 . 1 1 56 56 PRO HB3 H 1 0.878 0.030 . 2 . . . . 56 PRO HB3 . 10272 1 621 . 1 1 56 56 PRO HD2 H 1 2.618 0.030 . 2 . . . . 56 PRO HD2 . 10272 1 622 . 1 1 56 56 PRO HD3 H 1 2.161 0.030 . 2 . . . . 56 PRO HD3 . 10272 1 623 . 1 1 56 56 PRO HG2 H 1 0.953 0.030 . 2 . . . . 56 PRO HG2 . 10272 1 624 . 1 1 56 56 PRO HG3 H 1 0.368 0.030 . 2 . . . . 56 PRO HG3 . 10272 1 625 . 1 1 56 56 PRO C C 13 178.765 0.300 . 1 . . . . 56 PRO C . 10272 1 626 . 1 1 56 56 PRO CA C 13 61.218 0.300 . 1 . . . . 56 PRO CA . 10272 1 627 . 1 1 56 56 PRO CB C 13 30.430 0.300 . 1 . . . . 56 PRO CB . 10272 1 628 . 1 1 56 56 PRO CD C 13 49.549 0.300 . 1 . . . . 56 PRO CD . 10272 1 629 . 1 1 56 56 PRO CG C 13 27.042 0.300 . 1 . . . . 56 PRO CG . 10272 1 630 . 1 1 57 57 SER H H 1 8.187 0.030 . 1 . . . . 57 SER H . 10272 1 631 . 1 1 57 57 SER HA H 1 2.721 0.030 . 1 . . . . 57 SER HA . 10272 1 632 . 1 1 57 57 SER HB2 H 1 1.803 0.030 . 2 . . . . 57 SER HB2 . 10272 1 633 . 1 1 57 57 SER HB3 H 1 1.678 0.030 . 2 . . . . 57 SER HB3 . 10272 1 634 . 1 1 57 57 SER C C 13 175.094 0.300 . 1 . . . . 57 SER C . 10272 1 635 . 1 1 57 57 SER CA C 13 60.865 0.300 . 1 . . . . 57 SER CA . 10272 1 636 . 1 1 57 57 SER CB C 13 60.645 0.300 . 1 . . . . 57 SER CB . 10272 1 637 . 1 1 57 57 SER N N 15 120.088 0.300 . 1 . . . . 57 SER N . 10272 1 638 . 1 1 58 58 HIS H H 1 7.482 0.030 . 1 . . . . 58 HIS H . 10272 1 639 . 1 1 58 58 HIS HA H 1 4.433 0.030 . 1 . . . . 58 HIS HA . 10272 1 640 . 1 1 58 58 HIS HB2 H 1 3.130 0.030 . 2 . . . . 58 HIS HB2 . 10272 1 641 . 1 1 58 58 HIS HB3 H 1 2.729 0.030 . 2 . . . . 58 HIS HB3 . 10272 1 642 . 1 1 58 58 HIS HD2 H 1 6.614 0.030 . 1 . . . . 58 HIS HD2 . 10272 1 643 . 1 1 58 58 HIS HE1 H 1 7.521 0.030 . 1 . . . . 58 HIS HE1 . 10272 1 644 . 1 1 58 58 HIS C C 13 175.763 0.300 . 1 . . . . 58 HIS C . 10272 1 645 . 1 1 58 58 HIS CA C 13 56.938 0.300 . 1 . . . . 58 HIS CA . 10272 1 646 . 1 1 58 58 HIS CB C 13 28.597 0.300 . 1 . . . . 58 HIS CB . 10272 1 647 . 1 1 58 58 HIS CD2 C 13 118.454 0.300 . 1 . . . . 58 HIS CD2 . 10272 1 648 . 1 1 58 58 HIS CE1 C 13 139.008 0.300 . 1 . . . . 58 HIS CE1 . 10272 1 649 . 1 1 58 58 HIS N N 15 115.490 0.300 . 1 . . . . 58 HIS N . 10272 1 650 . 1 1 59 59 TYR H H 1 7.251 0.030 . 1 . . . . 59 TYR H . 10272 1 651 . 1 1 59 59 TYR HA H 1 4.366 0.030 . 1 . . . . 59 TYR HA . 10272 1 652 . 1 1 59 59 TYR HB2 H 1 3.524 0.030 . 2 . . . . 59 TYR HB2 . 10272 1 653 . 1 1 59 59 TYR HB3 H 1 2.789 0.030 . 2 . . . . 59 TYR HB3 . 10272 1 654 . 1 1 59 59 TYR HD1 H 1 6.607 0.030 . 1 . . . . 59 TYR HD1 . 10272 1 655 . 1 1 59 59 TYR HD2 H 1 6.607 0.030 . 1 . . . . 59 TYR HD2 . 10272 1 656 . 1 1 59 59 TYR HE1 H 1 6.768 0.030 . 1 . . . . 59 TYR HE1 . 10272 1 657 . 1 1 59 59 TYR HE2 H 1 6.768 0.030 . 1 . . . . 59 TYR HE2 . 10272 1 658 . 1 1 59 59 TYR C C 13 173.874 0.300 . 1 . . . . 59 TYR C . 10272 1 659 . 1 1 59 59 TYR CA C 13 58.862 0.300 . 1 . . . . 59 TYR CA . 10272 1 660 . 1 1 59 59 TYR CB C 13 36.586 0.300 . 1 . . . . 59 TYR CB . 10272 1 661 . 1 1 59 59 TYR CD1 C 13 132.032 0.300 . 1 . . . . 59 TYR CD1 . 10272 1 662 . 1 1 59 59 TYR CD2 C 13 132.032 0.300 . 1 . . . . 59 TYR CD2 . 10272 1 663 . 1 1 59 59 TYR CE1 C 13 118.244 0.300 . 1 . . . . 59 TYR CE1 . 10272 1 664 . 1 1 59 59 TYR CE2 C 13 118.244 0.300 . 1 . . . . 59 TYR CE2 . 10272 1 665 . 1 1 59 59 TYR N N 15 120.460 0.300 . 1 . . . . 59 TYR N . 10272 1 666 . 1 1 60 60 LEU H H 1 7.574 0.030 . 1 . . . . 60 LEU H . 10272 1 667 . 1 1 60 60 LEU HA H 1 4.964 0.030 . 1 . . . . 60 LEU HA . 10272 1 668 . 1 1 60 60 LEU HB2 H 1 1.646 0.030 . 2 . . . . 60 LEU HB2 . 10272 1 669 . 1 1 60 60 LEU HB3 H 1 1.158 0.030 . 2 . . . . 60 LEU HB3 . 10272 1 670 . 1 1 60 60 LEU HD11 H 1 0.426 0.030 . 1 . . . . 60 LEU HD1 . 10272 1 671 . 1 1 60 60 LEU HD12 H 1 0.426 0.030 . 1 . . . . 60 LEU HD1 . 10272 1 672 . 1 1 60 60 LEU HD13 H 1 0.426 0.030 . 1 . . . . 60 LEU HD1 . 10272 1 673 . 1 1 60 60 LEU HD21 H 1 0.332 0.030 . 1 . . . . 60 LEU HD2 . 10272 1 674 . 1 1 60 60 LEU HD22 H 1 0.332 0.030 . 1 . . . . 60 LEU HD2 . 10272 1 675 . 1 1 60 60 LEU HD23 H 1 0.332 0.030 . 1 . . . . 60 LEU HD2 . 10272 1 676 . 1 1 60 60 LEU HG H 1 1.274 0.030 . 1 . . . . 60 LEU HG . 10272 1 677 . 1 1 60 60 LEU C C 13 175.663 0.300 . 1 . . . . 60 LEU C . 10272 1 678 . 1 1 60 60 LEU CA C 13 53.709 0.300 . 1 . . . . 60 LEU CA . 10272 1 679 . 1 1 60 60 LEU CB C 13 42.879 0.300 . 1 . . . . 60 LEU CB . 10272 1 680 . 1 1 60 60 LEU CD1 C 13 25.937 0.300 . 2 . . . . 60 LEU CD1 . 10272 1 681 . 1 1 60 60 LEU CD2 C 13 25.124 0.300 . 2 . . . . 60 LEU CD2 . 10272 1 682 . 1 1 60 60 LEU CG C 13 27.714 0.300 . 1 . . . . 60 LEU CG . 10272 1 683 . 1 1 60 60 LEU N N 15 121.690 0.300 . 1 . . . . 60 LEU N . 10272 1 684 . 1 1 61 61 VAL H H 1 9.082 0.030 . 1 . . . . 61 VAL H . 10272 1 685 . 1 1 61 61 VAL HA H 1 4.309 0.030 . 1 . . . . 61 VAL HA . 10272 1 686 . 1 1 61 61 VAL HB H 1 2.089 0.030 . 1 . . . . 61 VAL HB . 10272 1 687 . 1 1 61 61 VAL HG11 H 1 0.878 0.030 . 1 . . . . 61 VAL HG1 . 10272 1 688 . 1 1 61 61 VAL HG12 H 1 0.878 0.030 . 1 . . . . 61 VAL HG1 . 10272 1 689 . 1 1 61 61 VAL HG13 H 1 0.878 0.030 . 1 . . . . 61 VAL HG1 . 10272 1 690 . 1 1 61 61 VAL HG21 H 1 0.813 0.030 . 1 . . . . 61 VAL HG2 . 10272 1 691 . 1 1 61 61 VAL HG22 H 1 0.813 0.030 . 1 . . . . 61 VAL HG2 . 10272 1 692 . 1 1 61 61 VAL HG23 H 1 0.813 0.030 . 1 . . . . 61 VAL HG2 . 10272 1 693 . 1 1 61 61 VAL C C 13 174.803 0.300 . 1 . . . . 61 VAL C . 10272 1 694 . 1 1 61 61 VAL CA C 13 61.381 0.300 . 1 . . . . 61 VAL CA . 10272 1 695 . 1 1 61 61 VAL CB C 13 33.607 0.300 . 1 . . . . 61 VAL CB . 10272 1 696 . 1 1 61 61 VAL CG1 C 13 21.413 0.300 . 2 . . . . 61 VAL CG1 . 10272 1 697 . 1 1 61 61 VAL CG2 C 13 20.804 0.300 . 2 . . . . 61 VAL CG2 . 10272 1 698 . 1 1 61 61 VAL N N 15 119.010 0.300 . 1 . . . . 61 VAL N . 10272 1 699 . 1 1 62 62 LEU H H 1 8.307 0.030 . 1 . . . . 62 LEU H . 10272 1 700 . 1 1 62 62 LEU HA H 1 4.288 0.030 . 1 . . . . 62 LEU HA . 10272 1 701 . 1 1 62 62 LEU HB2 H 1 1.489 0.030 . 1 . . . . 62 LEU HB2 . 10272 1 702 . 1 1 62 62 LEU HB3 H 1 1.489 0.030 . 1 . . . . 62 LEU HB3 . 10272 1 703 . 1 1 62 62 LEU HD11 H 1 0.603 0.030 . 1 . . . . 62 LEU HD1 . 10272 1 704 . 1 1 62 62 LEU HD12 H 1 0.603 0.030 . 1 . . . . 62 LEU HD1 . 10272 1 705 . 1 1 62 62 LEU HD13 H 1 0.603 0.030 . 1 . . . . 62 LEU HD1 . 10272 1 706 . 1 1 62 62 LEU HD21 H 1 0.617 0.030 . 1 . . . . 62 LEU HD2 . 10272 1 707 . 1 1 62 62 LEU HD22 H 1 0.617 0.030 . 1 . . . . 62 LEU HD2 . 10272 1 708 . 1 1 62 62 LEU HD23 H 1 0.617 0.030 . 1 . . . . 62 LEU HD2 . 10272 1 709 . 1 1 62 62 LEU HG H 1 1.480 0.030 . 1 . . . . 62 LEU HG . 10272 1 710 . 1 1 62 62 LEU C C 13 176.976 0.300 . 1 . . . . 62 LEU C . 10272 1 711 . 1 1 62 62 LEU CA C 13 54.807 0.300 . 1 . . . . 62 LEU CA . 10272 1 712 . 1 1 62 62 LEU CB C 13 42.932 0.300 . 1 . . . . 62 LEU CB . 10272 1 713 . 1 1 62 62 LEU CD1 C 13 24.408 0.300 . 2 . . . . 62 LEU CD1 . 10272 1 714 . 1 1 62 62 LEU CD2 C 13 24.609 0.300 . 2 . . . . 62 LEU CD2 . 10272 1 715 . 1 1 62 62 LEU CG C 13 26.744 0.300 . 1 . . . . 62 LEU CG . 10272 1 716 . 1 1 62 62 LEU N N 15 127.895 0.300 . 1 . . . . 62 LEU N . 10272 1 717 . 1 1 63 63 ASP H H 1 8.475 0.030 . 1 . . . . 63 ASP H . 10272 1 718 . 1 1 63 63 ASP HA H 1 4.595 0.030 . 1 . . . . 63 ASP HA . 10272 1 719 . 1 1 63 63 ASP HB2 H 1 2.675 0.030 . 2 . . . . 63 ASP HB2 . 10272 1 720 . 1 1 63 63 ASP HB3 H 1 2.512 0.030 . 2 . . . . 63 ASP HB3 . 10272 1 721 . 1 1 63 63 ASP C C 13 176.269 0.300 . 1 . . . . 63 ASP C . 10272 1 722 . 1 1 63 63 ASP CA C 13 53.903 0.300 . 1 . . . . 63 ASP CA . 10272 1 723 . 1 1 63 63 ASP CB C 13 41.618 0.300 . 1 . . . . 63 ASP CB . 10272 1 724 . 1 1 63 63 ASP N N 15 122.904 0.300 . 1 . . . . 63 ASP N . 10272 1 725 . 1 1 64 64 GLU H H 1 8.528 0.030 . 1 . . . . 64 GLU H . 10272 1 726 . 1 1 64 64 GLU HA H 1 4.220 0.030 . 1 . . . . 64 GLU HA . 10272 1 727 . 1 1 64 64 GLU HB2 H 1 2.046 0.030 . 2 . . . . 64 GLU HB2 . 10272 1 728 . 1 1 64 64 GLU HB3 H 1 1.914 0.030 . 2 . . . . 64 GLU HB3 . 10272 1 729 . 1 1 64 64 GLU HG2 H 1 2.218 0.030 . 1 . . . . 64 GLU HG2 . 10272 1 730 . 1 1 64 64 GLU HG3 H 1 2.218 0.030 . 1 . . . . 64 GLU HG3 . 10272 1 731 . 1 1 64 64 GLU C C 13 176.504 0.300 . 1 . . . . 64 GLU C . 10272 1 732 . 1 1 64 64 GLU CA C 13 57.043 0.300 . 1 . . . . 64 GLU CA . 10272 1 733 . 1 1 64 64 GLU CB C 13 30.214 0.300 . 1 . . . . 64 GLU CB . 10272 1 734 . 1 1 64 64 GLU CG C 13 36.309 0.300 . 1 . . . . 64 GLU CG . 10272 1 735 . 1 1 64 64 GLU N N 15 122.471 0.300 . 1 . . . . 64 GLU N . 10272 1 736 . 1 1 65 65 ASN H H 1 8.523 0.030 . 1 . . . . 65 ASN H . 10272 1 737 . 1 1 65 65 ASN HA H 1 4.661 0.030 . 1 . . . . 65 ASN HA . 10272 1 738 . 1 1 65 65 ASN HB2 H 1 2.778 0.030 . 1 . . . . 65 ASN HB2 . 10272 1 739 . 1 1 65 65 ASN HB3 H 1 2.778 0.030 . 1 . . . . 65 ASN HB3 . 10272 1 740 . 1 1 65 65 ASN HD21 H 1 7.713 0.030 . 2 . . . . 65 ASN HD21 . 10272 1 741 . 1 1 65 65 ASN HD22 H 1 6.918 0.030 . 2 . . . . 65 ASN HD22 . 10272 1 742 . 1 1 65 65 ASN C C 13 175.223 0.300 . 1 . . . . 65 ASN C . 10272 1 743 . 1 1 65 65 ASN CA C 13 53.674 0.300 . 1 . . . . 65 ASN CA . 10272 1 744 . 1 1 65 65 ASN CB C 13 39.088 0.300 . 1 . . . . 65 ASN CB . 10272 1 745 . 1 1 65 65 ASN N N 15 118.895 0.300 . 1 . . . . 65 ASN N . 10272 1 746 . 1 1 65 65 ASN ND2 N 15 113.834 0.300 . 1 . . . . 65 ASN ND2 . 10272 1 747 . 1 1 66 66 GLU H H 1 8.222 0.030 . 1 . . . . 66 GLU H . 10272 1 748 . 1 1 66 66 GLU HA H 1 4.293 0.030 . 1 . . . . 66 GLU HA . 10272 1 749 . 1 1 66 66 GLU HB2 H 1 2.062 0.030 . 2 . . . . 66 GLU HB2 . 10272 1 750 . 1 1 66 66 GLU HB3 H 1 1.958 0.030 . 2 . . . . 66 GLU HB3 . 10272 1 751 . 1 1 66 66 GLU HG2 H 1 2.272 0.030 . 2 . . . . 66 GLU HG2 . 10272 1 752 . 1 1 66 66 GLU HG3 H 1 2.181 0.030 . 2 . . . . 66 GLU HG3 . 10272 1 753 . 1 1 66 66 GLU C C 13 176.054 0.300 . 1 . . . . 66 GLU C . 10272 1 754 . 1 1 66 66 GLU CA C 13 56.432 0.300 . 1 . . . . 66 GLU CA . 10272 1 755 . 1 1 66 66 GLU CB C 13 30.476 0.300 . 1 . . . . 66 GLU CB . 10272 1 756 . 1 1 66 66 GLU CG C 13 36.328 0.300 . 1 . . . . 66 GLU CG . 10272 1 757 . 1 1 66 66 GLU N N 15 120.919 0.300 . 1 . . . . 66 GLU N . 10272 1 758 . 1 1 67 67 GLN H H 1 8.293 0.030 . 1 . . . . 67 GLN H . 10272 1 759 . 1 1 67 67 GLN HA H 1 4.582 0.030 . 1 . . . . 67 GLN HA . 10272 1 760 . 1 1 67 67 GLN HB2 H 1 2.083 0.030 . 2 . . . . 67 GLN HB2 . 10272 1 761 . 1 1 67 67 GLN HB3 H 1 1.915 0.030 . 2 . . . . 67 GLN HB3 . 10272 1 762 . 1 1 67 67 GLN HE21 H 1 7.507 0.030 . 2 . . . . 67 GLN HE21 . 10272 1 763 . 1 1 67 67 GLN HE22 H 1 6.863 0.030 . 2 . . . . 67 GLN HE22 . 10272 1 764 . 1 1 67 67 GLN HG2 H 1 2.379 0.030 . 1 . . . . 67 GLN HG2 . 10272 1 765 . 1 1 67 67 GLN HG3 H 1 2.379 0.030 . 1 . . . . 67 GLN HG3 . 10272 1 766 . 1 1 67 67 GLN C C 13 173.836 0.300 . 1 . . . . 67 GLN C . 10272 1 767 . 1 1 67 67 GLN CA C 13 53.593 0.300 . 1 . . . . 67 GLN CA . 10272 1 768 . 1 1 67 67 GLN CB C 13 28.949 0.300 . 1 . . . . 67 GLN CB . 10272 1 769 . 1 1 67 67 GLN CG C 13 33.497 0.300 . 1 . . . . 67 GLN CG . 10272 1 770 . 1 1 67 67 GLN N N 15 122.295 0.300 . 1 . . . . 67 GLN N . 10272 1 771 . 1 1 67 67 GLN NE2 N 15 112.797 0.300 . 1 . . . . 67 GLN NE2 . 10272 1 772 . 1 1 68 68 PRO HA H 1 4.401 0.030 . 1 . . . . 68 PRO HA . 10272 1 773 . 1 1 68 68 PRO HB2 H 1 2.232 0.030 . 2 . . . . 68 PRO HB2 . 10272 1 774 . 1 1 68 68 PRO HB3 H 1 1.841 0.030 . 2 . . . . 68 PRO HB3 . 10272 1 775 . 1 1 68 68 PRO HD2 H 1 3.736 0.030 . 2 . . . . 68 PRO HD2 . 10272 1 776 . 1 1 68 68 PRO HD3 H 1 3.638 0.030 . 2 . . . . 68 PRO HD3 . 10272 1 777 . 1 1 68 68 PRO HG2 H 1 1.968 0.030 . 1 . . . . 68 PRO HG2 . 10272 1 778 . 1 1 68 68 PRO HG3 H 1 1.968 0.030 . 1 . . . . 68 PRO HG3 . 10272 1 779 . 1 1 68 68 PRO CA C 13 62.882 0.300 . 1 . . . . 68 PRO CA . 10272 1 780 . 1 1 68 68 PRO CB C 13 32.175 0.300 . 1 . . . . 68 PRO CB . 10272 1 781 . 1 1 68 68 PRO CD C 13 50.564 0.300 . 1 . . . . 68 PRO CD . 10272 1 782 . 1 1 68 68 PRO CG C 13 27.220 0.300 . 1 . . . . 68 PRO CG . 10272 1 783 . 1 1 69 69 ASP H H 1 8.502 0.030 . 1 . . . . 69 ASP H . 10272 1 784 . 1 1 69 69 ASP HA H 1 4.836 0.030 . 1 . . . . 69 ASP HA . 10272 1 785 . 1 1 69 69 ASP HB2 H 1 2.729 0.030 . 2 . . . . 69 ASP HB2 . 10272 1 786 . 1 1 69 69 ASP HB3 H 1 2.580 0.030 . 2 . . . . 69 ASP HB3 . 10272 1 787 . 1 1 69 69 ASP CA C 13 51.945 0.300 . 1 . . . . 69 ASP CA . 10272 1 788 . 1 1 69 69 ASP CB C 13 41.305 0.300 . 1 . . . . 69 ASP CB . 10272 1 789 . 1 1 69 69 ASP N N 15 121.937 0.300 . 1 . . . . 69 ASP N . 10272 1 790 . 1 1 70 70 PRO HA H 1 4.437 0.030 . 1 . . . . 70 PRO HA . 10272 1 791 . 1 1 70 70 PRO HB2 H 1 2.272 0.030 . 2 . . . . 70 PRO HB2 . 10272 1 792 . 1 1 70 70 PRO HB3 H 1 2.003 0.030 . 2 . . . . 70 PRO HB3 . 10272 1 793 . 1 1 70 70 PRO HD2 H 1 3.874 0.030 . 2 . . . . 70 PRO HD2 . 10272 1 794 . 1 1 70 70 PRO HD3 H 1 3.806 0.030 . 2 . . . . 70 PRO HD3 . 10272 1 795 . 1 1 70 70 PRO HG2 H 1 2.002 0.030 . 1 . . . . 70 PRO HG2 . 10272 1 796 . 1 1 70 70 PRO HG3 H 1 2.002 0.030 . 1 . . . . 70 PRO HG3 . 10272 1 797 . 1 1 70 70 PRO C C 13 177.484 0.300 . 1 . . . . 70 PRO C . 10272 1 798 . 1 1 70 70 PRO CA C 13 63.777 0.300 . 1 . . . . 70 PRO CA . 10272 1 799 . 1 1 70 70 PRO CB C 13 32.027 0.300 . 1 . . . . 70 PRO CB . 10272 1 800 . 1 1 70 70 PRO CD C 13 50.873 0.300 . 1 . . . . 70 PRO CD . 10272 1 801 . 1 1 70 70 PRO CG C 13 27.107 0.300 . 1 . . . . 70 PRO CG . 10272 1 802 . 1 1 71 71 SER H H 1 8.506 0.030 . 1 . . . . 71 SER H . 10272 1 803 . 1 1 71 71 SER HA H 1 4.364 0.030 . 1 . . . . 71 SER HA . 10272 1 804 . 1 1 71 71 SER HB2 H 1 3.906 0.030 . 1 . . . . 71 SER HB2 . 10272 1 805 . 1 1 71 71 SER HB3 H 1 3.906 0.030 . 1 . . . . 71 SER HB3 . 10272 1 806 . 1 1 71 71 SER C C 13 175.439 0.300 . 1 . . . . 71 SER C . 10272 1 807 . 1 1 71 71 SER CA C 13 59.261 0.300 . 1 . . . . 71 SER CA . 10272 1 808 . 1 1 71 71 SER CB C 13 63.771 0.300 . 1 . . . . 71 SER CB . 10272 1 809 . 1 1 71 71 SER N N 15 115.901 0.300 . 1 . . . . 71 SER N . 10272 1 810 . 1 1 72 72 GLY H H 1 8.258 0.030 . 1 . . . . 72 GLY H . 10272 1 811 . 1 1 72 72 GLY HA2 H 1 3.958 0.030 . 1 . . . . 72 GLY HA2 . 10272 1 812 . 1 1 72 72 GLY HA3 H 1 3.958 0.030 . 1 . . . . 72 GLY HA3 . 10272 1 813 . 1 1 72 72 GLY C C 13 174.314 0.300 . 1 . . . . 72 GLY C . 10272 1 814 . 1 1 72 72 GLY CA C 13 45.469 0.300 . 1 . . . . 72 GLY CA . 10272 1 815 . 1 1 72 72 GLY N N 15 110.595 0.300 . 1 . . . . 72 GLY N . 10272 1 816 . 1 1 73 73 LYS H H 1 8.052 0.030 . 1 . . . . 73 LYS H . 10272 1 817 . 1 1 73 73 LYS HA H 1 4.305 0.030 . 1 . . . . 73 LYS HA . 10272 1 818 . 1 1 73 73 LYS HB2 H 1 1.822 0.030 . 2 . . . . 73 LYS HB2 . 10272 1 819 . 1 1 73 73 LYS HB3 H 1 1.730 0.030 . 2 . . . . 73 LYS HB3 . 10272 1 820 . 1 1 73 73 LYS HD2 H 1 1.665 0.030 . 1 . . . . 73 LYS HD2 . 10272 1 821 . 1 1 73 73 LYS HD3 H 1 1.665 0.030 . 1 . . . . 73 LYS HD3 . 10272 1 822 . 1 1 73 73 LYS HE2 H 1 2.974 0.030 . 1 . . . . 73 LYS HE2 . 10272 1 823 . 1 1 73 73 LYS HE3 H 1 2.974 0.030 . 1 . . . . 73 LYS HE3 . 10272 1 824 . 1 1 73 73 LYS HG2 H 1 1.401 0.030 . 1 . . . . 73 LYS HG2 . 10272 1 825 . 1 1 73 73 LYS HG3 H 1 1.401 0.030 . 1 . . . . 73 LYS HG3 . 10272 1 826 . 1 1 73 73 LYS C C 13 176.792 0.300 . 1 . . . . 73 LYS C . 10272 1 827 . 1 1 73 73 LYS CA C 13 56.420 0.300 . 1 . . . . 73 LYS CA . 10272 1 828 . 1 1 73 73 LYS CB C 13 33.082 0.300 . 1 . . . . 73 LYS CB . 10272 1 829 . 1 1 73 73 LYS CD C 13 29.037 0.300 . 1 . . . . 73 LYS CD . 10272 1 830 . 1 1 73 73 LYS CE C 13 42.153 0.300 . 1 . . . . 73 LYS CE . 10272 1 831 . 1 1 73 73 LYS CG C 13 24.611 0.300 . 1 . . . . 73 LYS CG . 10272 1 832 . 1 1 73 73 LYS N N 15 120.614 0.300 . 1 . . . . 73 LYS N . 10272 1 833 . 1 1 74 74 GLU H H 1 8.559 0.030 . 1 . . . . 74 GLU H . 10272 1 834 . 1 1 74 74 GLU HA H 1 4.305 0.030 . 1 . . . . 74 GLU HA . 10272 1 835 . 1 1 74 74 GLU HB2 H 1 2.046 0.030 . 2 . . . . 74 GLU HB2 . 10272 1 836 . 1 1 74 74 GLU HB3 H 1 1.912 0.030 . 2 . . . . 74 GLU HB3 . 10272 1 837 . 1 1 74 74 GLU HG2 H 1 2.278 0.030 . 2 . . . . 74 GLU HG2 . 10272 1 838 . 1 1 74 74 GLU HG3 H 1 2.215 0.030 . 2 . . . . 74 GLU HG3 . 10272 1 839 . 1 1 74 74 GLU C C 13 176.648 0.300 . 1 . . . . 74 GLU C . 10272 1 840 . 1 1 74 74 GLU CA C 13 56.446 0.300 . 1 . . . . 74 GLU CA . 10272 1 841 . 1 1 74 74 GLU CB C 13 30.215 0.300 . 1 . . . . 74 GLU CB . 10272 1 842 . 1 1 74 74 GLU CG C 13 36.286 0.300 . 1 . . . . 74 GLU CG . 10272 1 843 . 1 1 74 74 GLU N N 15 122.000 0.300 . 1 . . . . 74 GLU N . 10272 1 844 . 1 1 75 75 SER H H 1 8.364 0.030 . 1 . . . . 75 SER H . 10272 1 845 . 1 1 75 75 SER HA H 1 4.450 0.030 . 1 . . . . 75 SER HA . 10272 1 846 . 1 1 75 75 SER C C 13 174.540 0.300 . 1 . . . . 75 SER C . 10272 1 847 . 1 1 75 75 SER CA C 13 58.538 0.300 . 1 . . . . 75 SER CA . 10272 1 848 . 1 1 75 75 SER CB C 13 63.977 0.300 . 1 . . . . 75 SER CB . 10272 1 849 . 1 1 75 75 SER N N 15 116.992 0.300 . 1 . . . . 75 SER N . 10272 1 850 . 1 1 76 76 GLY H H 1 8.243 0.030 . 1 . . . . 76 GLY H . 10272 1 851 . 1 1 76 76 GLY HA2 H 1 4.157 0.030 . 2 . . . . 76 GLY HA2 . 10272 1 852 . 1 1 76 76 GLY HA3 H 1 4.058 0.030 . 2 . . . . 76 GLY HA3 . 10272 1 853 . 1 1 76 76 GLY CA C 13 44.680 0.300 . 1 . . . . 76 GLY CA . 10272 1 854 . 1 1 76 76 GLY N N 15 110.704 0.300 . 1 . . . . 76 GLY N . 10272 1 855 . 1 1 77 77 PRO HA H 1 4.463 0.030 . 1 . . . . 77 PRO HA . 10272 1 856 . 1 1 77 77 PRO HB2 H 1 2.278 0.030 . 2 . . . . 77 PRO HB2 . 10272 1 857 . 1 1 77 77 PRO HB3 H 1 1.970 0.030 . 2 . . . . 77 PRO HB3 . 10272 1 858 . 1 1 77 77 PRO HD2 H 1 3.606 0.030 . 1 . . . . 77 PRO HD2 . 10272 1 859 . 1 1 77 77 PRO HD3 H 1 3.606 0.030 . 1 . . . . 77 PRO HD3 . 10272 1 860 . 1 1 77 77 PRO HG2 H 1 1.960 0.030 . 1 . . . . 77 PRO HG2 . 10272 1 861 . 1 1 77 77 PRO HG3 H 1 1.960 0.030 . 1 . . . . 77 PRO HG3 . 10272 1 862 . 1 1 77 77 PRO C C 13 177.454 0.300 . 1 . . . . 77 PRO C . 10272 1 863 . 1 1 77 77 PRO CA C 13 63.202 0.300 . 1 . . . . 77 PRO CA . 10272 1 864 . 1 1 77 77 PRO CB C 13 32.276 0.300 . 1 . . . . 77 PRO CB . 10272 1 865 . 1 1 77 77 PRO CD C 13 49.791 0.300 . 1 . . . . 77 PRO CD . 10272 1 866 . 1 1 77 77 PRO CG C 13 27.129 0.300 . 1 . . . . 77 PRO CG . 10272 1 867 . 1 1 78 78 SER H H 1 8.535 0.030 . 1 . . . . 78 SER H . 10272 1 868 . 1 1 78 78 SER HB2 H 1 3.895 0.030 . 1 . . . . 78 SER HB2 . 10272 1 869 . 1 1 78 78 SER HB3 H 1 3.895 0.030 . 1 . . . . 78 SER HB3 . 10272 1 870 . 1 1 78 78 SER C C 13 174.735 0.300 . 1 . . . . 78 SER C . 10272 1 871 . 1 1 78 78 SER CA C 13 58.373 0.300 . 1 . . . . 78 SER CA . 10272 1 872 . 1 1 78 78 SER CB C 13 63.977 0.300 . 1 . . . . 78 SER CB . 10272 1 873 . 1 1 78 78 SER N N 15 116.533 0.300 . 1 . . . . 78 SER N . 10272 1 stop_ save_