data_10136 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10136 _Entry.Title ; Solution structure of the first SH3 domain of human intersectin2 (KIAA1256) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-05-14 _Entry.Accession_date 2007-05-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version production.3.0.2.8 _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 N. Kobayashi . . . 10136 2 T. Kigawa . . . 10136 3 S. Koshiba . . . 10136 4 N. Tochio . . . 10136 5 M. Inoue . . . 10136 6 S. Yokoyama . . . 10136 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' 10136 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10136 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 392 10136 '15N chemical shifts' 92 10136 '1H chemical shifts' 576 10136 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 . . 2010-05-25 2007-05-14 update BMRB 'update entity name' 10136 1 . . 2008-09-26 2007-05-14 original author 'original release' 10136 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UFF 'BMRB Entry Tracking System' 10136 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10136 _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 structure of the first SH3 domain of human intersectin2 (KIAA1256)' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 N. Kobayashi . . . 10136 1 2 T. Kigawa . . . 10136 1 3 S. Koshiba . . . 10136 1 4 N. Tochio . . . 10136 1 5 M. Inoue . . . 10136 1 6 S. Yokoyama . . . 10136 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10136 _Assembly.ID 1 _Assembly.Name 'Intersectin 2' _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 'Intersectin 2' 1 $entity_1 A . yes native no no . . . 10136 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 1UFF . . . . . . 10136 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10136 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Intersectin 2' _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 ; GSSGSSGYRALYPFEARNHD EMSFNSGDIIQVDEKTVGEP GWLYGSFQGNFGWFPCNYVE KMPSSENEKAVSPKKALLPP TVSLSATSGPSSG ; _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 93 _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 1UFF . "Solution Structure Of The First Sh3 Domain Of Human Intersectin2 (Kiaa1256)" . . . . . 100.00 93 100.00 100.00 2.77e-60 . . . . 10136 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 10136 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 . 10136 1 2 . SER . 10136 1 3 . SER . 10136 1 4 . GLY . 10136 1 5 . SER . 10136 1 6 . SER . 10136 1 7 . GLY . 10136 1 8 . TYR . 10136 1 9 . ARG . 10136 1 10 . ALA . 10136 1 11 . LEU . 10136 1 12 . TYR . 10136 1 13 . PRO . 10136 1 14 . PHE . 10136 1 15 . GLU . 10136 1 16 . ALA . 10136 1 17 . ARG . 10136 1 18 . ASN . 10136 1 19 . HIS . 10136 1 20 . ASP . 10136 1 21 . GLU . 10136 1 22 . MET . 10136 1 23 . SER . 10136 1 24 . PHE . 10136 1 25 . ASN . 10136 1 26 . SER . 10136 1 27 . GLY . 10136 1 28 . ASP . 10136 1 29 . ILE . 10136 1 30 . ILE . 10136 1 31 . GLN . 10136 1 32 . VAL . 10136 1 33 . ASP . 10136 1 34 . GLU . 10136 1 35 . LYS . 10136 1 36 . THR . 10136 1 37 . VAL . 10136 1 38 . GLY . 10136 1 39 . GLU . 10136 1 40 . PRO . 10136 1 41 . GLY . 10136 1 42 . TRP . 10136 1 43 . LEU . 10136 1 44 . TYR . 10136 1 45 . GLY . 10136 1 46 . SER . 10136 1 47 . PHE . 10136 1 48 . GLN . 10136 1 49 . GLY . 10136 1 50 . ASN . 10136 1 51 . PHE . 10136 1 52 . GLY . 10136 1 53 . TRP . 10136 1 54 . PHE . 10136 1 55 . PRO . 10136 1 56 . CYS . 10136 1 57 . ASN . 10136 1 58 . TYR . 10136 1 59 . VAL . 10136 1 60 . GLU . 10136 1 61 . LYS . 10136 1 62 . MET . 10136 1 63 . PRO . 10136 1 64 . SER . 10136 1 65 . SER . 10136 1 66 . GLU . 10136 1 67 . ASN . 10136 1 68 . GLU . 10136 1 69 . LYS . 10136 1 70 . ALA . 10136 1 71 . VAL . 10136 1 72 . SER . 10136 1 73 . PRO . 10136 1 74 . LYS . 10136 1 75 . LYS . 10136 1 76 . ALA . 10136 1 77 . LEU . 10136 1 78 . LEU . 10136 1 79 . PRO . 10136 1 80 . PRO . 10136 1 81 . THR . 10136 1 82 . VAL . 10136 1 83 . SER . 10136 1 84 . LEU . 10136 1 85 . SER . 10136 1 86 . ALA . 10136 1 87 . THR . 10136 1 88 . SER . 10136 1 89 . GLY . 10136 1 90 . PRO . 10136 1 91 . SER . 10136 1 92 . SER . 10136 1 93 . GLY . 10136 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 10136 1 . SER 2 2 10136 1 . SER 3 3 10136 1 . GLY 4 4 10136 1 . SER 5 5 10136 1 . SER 6 6 10136 1 . GLY 7 7 10136 1 . TYR 8 8 10136 1 . ARG 9 9 10136 1 . ALA 10 10 10136 1 . LEU 11 11 10136 1 . TYR 12 12 10136 1 . PRO 13 13 10136 1 . PHE 14 14 10136 1 . GLU 15 15 10136 1 . ALA 16 16 10136 1 . ARG 17 17 10136 1 . ASN 18 18 10136 1 . HIS 19 19 10136 1 . ASP 20 20 10136 1 . GLU 21 21 10136 1 . MET 22 22 10136 1 . SER 23 23 10136 1 . PHE 24 24 10136 1 . ASN 25 25 10136 1 . SER 26 26 10136 1 . GLY 27 27 10136 1 . ASP 28 28 10136 1 . ILE 29 29 10136 1 . ILE 30 30 10136 1 . GLN 31 31 10136 1 . VAL 32 32 10136 1 . ASP 33 33 10136 1 . GLU 34 34 10136 1 . LYS 35 35 10136 1 . THR 36 36 10136 1 . VAL 37 37 10136 1 . GLY 38 38 10136 1 . GLU 39 39 10136 1 . PRO 40 40 10136 1 . GLY 41 41 10136 1 . TRP 42 42 10136 1 . LEU 43 43 10136 1 . TYR 44 44 10136 1 . GLY 45 45 10136 1 . SER 46 46 10136 1 . PHE 47 47 10136 1 . GLN 48 48 10136 1 . GLY 49 49 10136 1 . ASN 50 50 10136 1 . PHE 51 51 10136 1 . GLY 52 52 10136 1 . TRP 53 53 10136 1 . PHE 54 54 10136 1 . PRO 55 55 10136 1 . CYS 56 56 10136 1 . ASN 57 57 10136 1 . TYR 58 58 10136 1 . VAL 59 59 10136 1 . GLU 60 60 10136 1 . LYS 61 61 10136 1 . MET 62 62 10136 1 . PRO 63 63 10136 1 . SER 64 64 10136 1 . SER 65 65 10136 1 . GLU 66 66 10136 1 . ASN 67 67 10136 1 . GLU 68 68 10136 1 . LYS 69 69 10136 1 . ALA 70 70 10136 1 . VAL 71 71 10136 1 . SER 72 72 10136 1 . PRO 73 73 10136 1 . LYS 74 74 10136 1 . LYS 75 75 10136 1 . ALA 76 76 10136 1 . LEU 77 77 10136 1 . LEU 78 78 10136 1 . PRO 79 79 10136 1 . PRO 80 80 10136 1 . THR 81 81 10136 1 . VAL 82 82 10136 1 . SER 83 83 10136 1 . LEU 84 84 10136 1 . SER 85 85 10136 1 . ALA 86 86 10136 1 . THR 87 87 10136 1 . SER 88 88 10136 1 . GLY 89 89 10136 1 . PRO 90 90 10136 1 . SER 91 91 10136 1 . SER 92 92 10136 1 . GLY 93 93 10136 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 10136 _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 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10136 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 10136 _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 . . P021015-27 . . . . . . 10136 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10136 _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 . . 0.54 . . mM . . . . 10136 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10136 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10136 1 4 d10-DTT . . . . . . salt 1 . . mM . . . . 10136 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10136 1 6 H2O . . . . . . solvent 90 . . % . . . . 10136 1 7 D2O . . . . . . solvent 10 . . % . . . . 10136 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 10136 _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 10136 1 pH 6.0 0.05 pH 10136 1 pressure 1 0.001 atm 10136 1 temperature 298 0.1 K 10136 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10136 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10136 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10136 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10136 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10136 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10136 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10136 _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.' . . 10136 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10136 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10136 _Software.ID 4 _Software.Name Kujira _Software.Version 0.816 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10136 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10136 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10136 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10136 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10136 5 'structure solution' 10136 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 10136 _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 10136 _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 . . . 10136 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 10136 _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 . . . . . . . . . . . . . . . . 10136 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10136 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 10136 _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 . . . . . . . . . 10136 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10136 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10136 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 10136 _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 10136 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10136 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 2 2 SER HA H 1 4.593 0.030 . 1 . . . . 2 SER HA . 10136 1 2 . 1 1 2 2 SER HB2 H 1 3.914 0.030 . 1 . . . . 2 SER HB2 . 10136 1 3 . 1 1 2 2 SER HB3 H 1 3.914 0.030 . 1 . . . . 2 SER HB3 . 10136 1 4 . 1 1 2 2 SER C C 13 174.376 0.300 . 1 . . . . 2 SER C . 10136 1 5 . 1 1 2 2 SER CA C 13 57.995 0.300 . 1 . . . . 2 SER CA . 10136 1 6 . 1 1 2 2 SER CB C 13 63.538 0.300 . 1 . . . . 2 SER CB . 10136 1 7 . 1 1 3 3 SER H H 1 8.623 0.030 . 1 . . . . 3 SER H . 10136 1 8 . 1 1 3 3 SER HA H 1 4.530 0.030 . 1 . . . . 3 SER HA . 10136 1 9 . 1 1 3 3 SER HB2 H 1 3.939 0.030 . 1 . . . . 3 SER HB2 . 10136 1 10 . 1 1 3 3 SER HB3 H 1 3.939 0.030 . 1 . . . . 3 SER HB3 . 10136 1 11 . 1 1 3 3 SER C C 13 174.634 0.300 . 1 . . . . 3 SER C . 10136 1 12 . 1 1 3 3 SER CA C 13 58.237 0.300 . 1 . . . . 3 SER CA . 10136 1 13 . 1 1 3 3 SER CB C 13 63.455 0.300 . 1 . . . . 3 SER CB . 10136 1 14 . 1 1 3 3 SER N N 15 118.439 0.300 . 1 . . . . 3 SER N . 10136 1 15 . 1 1 4 4 GLY H H 1 8.531 0.030 . 1 . . . . 4 GLY H . 10136 1 16 . 1 1 4 4 GLY HA2 H 1 4.052 0.030 . 1 . . . . 4 GLY HA2 . 10136 1 17 . 1 1 4 4 GLY HA3 H 1 4.052 0.030 . 1 . . . . 4 GLY HA3 . 10136 1 18 . 1 1 4 4 GLY C C 13 173.576 0.300 . 1 . . . . 4 GLY C . 10136 1 19 . 1 1 4 4 GLY CA C 13 45.081 0.300 . 1 . . . . 4 GLY CA . 10136 1 20 . 1 1 4 4 GLY N N 15 111.423 0.300 . 1 . . . . 4 GLY N . 10136 1 21 . 1 1 5 5 SER H H 1 8.190 0.030 . 1 . . . . 5 SER H . 10136 1 22 . 1 1 5 5 SER HA H 1 4.919 0.030 . 1 . . . . 5 SER HA . 10136 1 23 . 1 1 5 5 SER HB2 H 1 3.838 0.030 . 1 . . . . 5 SER HB2 . 10136 1 24 . 1 1 5 5 SER HB3 H 1 3.838 0.030 . 1 . . . . 5 SER HB3 . 10136 1 25 . 1 1 5 5 SER C C 13 173.810 0.300 . 1 . . . . 5 SER C . 10136 1 26 . 1 1 5 5 SER CA C 13 57.704 0.300 . 1 . . . . 5 SER CA . 10136 1 27 . 1 1 5 5 SER CB C 13 64.271 0.300 . 1 . . . . 5 SER CB . 10136 1 28 . 1 1 5 5 SER N N 15 116.113 0.300 . 1 . . . . 5 SER N . 10136 1 29 . 1 1 6 6 SER H H 1 8.814 0.030 . 1 . . . . 6 SER H . 10136 1 30 . 1 1 6 6 SER HA H 1 4.806 0.030 . 1 . . . . 6 SER HA . 10136 1 31 . 1 1 6 6 SER HB2 H 1 3.939 0.030 . 1 . . . . 6 SER HB2 . 10136 1 32 . 1 1 6 6 SER HB3 H 1 3.939 0.030 . 1 . . . . 6 SER HB3 . 10136 1 33 . 1 1 6 6 SER C C 13 173.638 0.300 . 1 . . . . 6 SER C . 10136 1 34 . 1 1 6 6 SER CA C 13 57.597 0.300 . 1 . . . . 6 SER CA . 10136 1 35 . 1 1 6 6 SER CB C 13 65.102 0.300 . 1 . . . . 6 SER CB . 10136 1 36 . 1 1 6 6 SER N N 15 118.141 0.300 . 1 . . . . 6 SER N . 10136 1 37 . 1 1 7 7 GLY H H 1 8.569 0.030 . 1 . . . . 7 GLY H . 10136 1 38 . 1 1 7 7 GLY HA2 H 1 3.650 0.030 . 2 . . . . 7 GLY HA2 . 10136 1 39 . 1 1 7 7 GLY HA3 H 1 4.505 0.030 . 2 . . . . 7 GLY HA3 . 10136 1 40 . 1 1 7 7 GLY C C 13 173.358 0.300 . 1 . . . . 7 GLY C . 10136 1 41 . 1 1 7 7 GLY CA C 13 45.720 0.300 . 1 . . . . 7 GLY CA . 10136 1 42 . 1 1 7 7 GLY N N 15 111.716 0.300 . 1 . . . . 7 GLY N . 10136 1 43 . 1 1 8 8 TYR H H 1 9.335 0.030 . 1 . . . . 8 TYR H . 10136 1 44 . 1 1 8 8 TYR HA H 1 4.932 0.030 . 1 . . . . 8 TYR HA . 10136 1 45 . 1 1 8 8 TYR HB2 H 1 2.317 0.030 . 2 . . . . 8 TYR HB2 . 10136 1 46 . 1 1 8 8 TYR HB3 H 1 2.682 0.030 . 2 . . . . 8 TYR HB3 . 10136 1 47 . 1 1 8 8 TYR HD1 H 1 6.889 0.030 . 1 . . . . 8 TYR HD1 . 10136 1 48 . 1 1 8 8 TYR HD2 H 1 6.889 0.030 . 1 . . . . 8 TYR HD2 . 10136 1 49 . 1 1 8 8 TYR HE1 H 1 6.715 0.030 . 1 . . . . 8 TYR HE1 . 10136 1 50 . 1 1 8 8 TYR HE2 H 1 6.715 0.030 . 1 . . . . 8 TYR HE2 . 10136 1 51 . 1 1 8 8 TYR C C 13 172.715 0.300 . 1 . . . . 8 TYR C . 10136 1 52 . 1 1 8 8 TYR CA C 13 56.195 0.300 . 1 . . . . 8 TYR CA . 10136 1 53 . 1 1 8 8 TYR CB C 13 40.829 0.300 . 1 . . . . 8 TYR CB . 10136 1 54 . 1 1 8 8 TYR CD1 C 13 132.883 0.300 . 1 . . . . 8 TYR CD1 . 10136 1 55 . 1 1 8 8 TYR CD2 C 13 132.883 0.300 . 1 . . . . 8 TYR CD2 . 10136 1 56 . 1 1 8 8 TYR CE1 C 13 116.907 0.300 . 1 . . . . 8 TYR CE1 . 10136 1 57 . 1 1 8 8 TYR CE2 C 13 116.907 0.300 . 1 . . . . 8 TYR CE2 . 10136 1 58 . 1 1 8 8 TYR N N 15 125.894 0.300 . 1 . . . . 8 TYR N . 10136 1 59 . 1 1 9 9 ARG H H 1 9.085 0.030 . 1 . . . . 9 ARG H . 10136 1 60 . 1 1 9 9 ARG HA H 1 4.844 0.030 . 1 . . . . 9 ARG HA . 10136 1 61 . 1 1 9 9 ARG HB2 H 1 1.614 0.030 . 2 . . . . 9 ARG HB2 . 10136 1 62 . 1 1 9 9 ARG HB3 H 1 1.741 0.030 . 2 . . . . 9 ARG HB3 . 10136 1 63 . 1 1 9 9 ARG HG2 H 1 1.319 0.030 . 1 . . . . 9 ARG HG2 . 10136 1 64 . 1 1 9 9 ARG HG3 H 1 1.319 0.030 . 1 . . . . 9 ARG HG3 . 10136 1 65 . 1 1 9 9 ARG HD2 H 1 3.100 0.030 . 1 . . . . 9 ARG HD2 . 10136 1 66 . 1 1 9 9 ARG HD3 H 1 3.100 0.030 . 1 . . . . 9 ARG HD3 . 10136 1 67 . 1 1 9 9 ARG HE H 1 7.272 0.030 . 1 . . . . 9 ARG HE . 10136 1 68 . 1 1 9 9 ARG C C 13 175.570 0.300 . 1 . . . . 9 ARG C . 10136 1 69 . 1 1 9 9 ARG CA C 13 53.479 0.300 . 1 . . . . 9 ARG CA . 10136 1 70 . 1 1 9 9 ARG CB C 13 32.642 0.300 . 1 . . . . 9 ARG CB . 10136 1 71 . 1 1 9 9 ARG CG C 13 26.369 0.300 . 1 . . . . 9 ARG CG . 10136 1 72 . 1 1 9 9 ARG CD C 13 43.114 0.300 . 1 . . . . 9 ARG CD . 10136 1 73 . 1 1 9 9 ARG N N 15 121.759 0.300 . 1 . . . . 9 ARG N . 10136 1 74 . 1 1 9 9 ARG NE N 15 83.956 0.300 . 1 . . . . 9 ARG NE . 10136 1 75 . 1 1 10 10 ALA H H 1 8.883 0.030 . 1 . . . . 10 ALA H . 10136 1 76 . 1 1 10 10 ALA HA H 1 4.429 0.030 . 1 . . . . 10 ALA HA . 10136 1 77 . 1 1 10 10 ALA HB1 H 1 1.223 0.030 . 1 . . . . 10 ALA HB . 10136 1 78 . 1 1 10 10 ALA HB2 H 1 1.223 0.030 . 1 . . . . 10 ALA HB . 10136 1 79 . 1 1 10 10 ALA HB3 H 1 1.223 0.030 . 1 . . . . 10 ALA HB . 10136 1 80 . 1 1 10 10 ALA C C 13 178.399 0.300 . 1 . . . . 10 ALA C . 10136 1 81 . 1 1 10 10 ALA CA C 13 52.147 0.300 . 1 . . . . 10 ALA CA . 10136 1 82 . 1 1 10 10 ALA CB C 13 20.090 0.300 . 1 . . . . 10 ALA CB . 10136 1 83 . 1 1 10 10 ALA N N 15 127.938 0.300 . 1 . . . . 10 ALA N . 10136 1 84 . 1 1 11 11 LEU H H 1 9.432 0.030 . 1 . . . . 11 LEU H . 10136 1 85 . 1 1 11 11 LEU HA H 1 3.964 0.030 . 1 . . . . 11 LEU HA . 10136 1 86 . 1 1 11 11 LEU HB2 H 1 0.570 0.030 . 2 . . . . 11 LEU HB2 . 10136 1 87 . 1 1 11 11 LEU HB3 H 1 0.947 0.030 . 2 . . . . 11 LEU HB3 . 10136 1 88 . 1 1 11 11 LEU HG H 1 1.262 0.030 . 1 . . . . 11 LEU HG . 10136 1 89 . 1 1 11 11 LEU HD11 H 1 0.587 0.030 . 1 . . . . 11 LEU HD1 . 10136 1 90 . 1 1 11 11 LEU HD12 H 1 0.587 0.030 . 1 . . . . 11 LEU HD1 . 10136 1 91 . 1 1 11 11 LEU HD13 H 1 0.587 0.030 . 1 . . . . 11 LEU HD1 . 10136 1 92 . 1 1 11 11 LEU HD21 H 1 0.657 0.030 . 1 . . . . 11 LEU HD2 . 10136 1 93 . 1 1 11 11 LEU HD22 H 1 0.657 0.030 . 1 . . . . 11 LEU HD2 . 10136 1 94 . 1 1 11 11 LEU HD23 H 1 0.657 0.030 . 1 . . . . 11 LEU HD2 . 10136 1 95 . 1 1 11 11 LEU C C 13 175.656 0.300 . 1 . . . . 11 LEU C . 10136 1 96 . 1 1 11 11 LEU CA C 13 55.183 0.300 . 1 . . . . 11 LEU CA . 10136 1 97 . 1 1 11 11 LEU CB C 13 43.199 0.300 . 1 . . . . 11 LEU CB . 10136 1 98 . 1 1 11 11 LEU CG C 13 26.452 0.300 . 1 . . . . 11 LEU CG . 10136 1 99 . 1 1 11 11 LEU CD1 C 13 21.786 0.300 . 2 . . . . 11 LEU CD1 . 10136 1 100 . 1 1 11 11 LEU CD2 C 13 24.952 0.300 . 2 . . . . 11 LEU CD2 . 10136 1 101 . 1 1 11 11 LEU N N 15 126.971 0.300 . 1 . . . . 11 LEU N . 10136 1 102 . 1 1 12 12 TYR H H 1 7.367 0.030 . 1 . . . . 12 TYR H . 10136 1 103 . 1 1 12 12 TYR HA H 1 4.991 0.030 . 1 . . . . 12 TYR HA . 10136 1 104 . 1 1 12 12 TYR HB2 H 1 2.363 0.030 . 2 . . . . 12 TYR HB2 . 10136 1 105 . 1 1 12 12 TYR HB3 H 1 3.271 0.030 . 2 . . . . 12 TYR HB3 . 10136 1 106 . 1 1 12 12 TYR HD1 H 1 6.769 0.030 . 1 . . . . 12 TYR HD1 . 10136 1 107 . 1 1 12 12 TYR HD2 H 1 6.769 0.030 . 1 . . . . 12 TYR HD2 . 10136 1 108 . 1 1 12 12 TYR HE1 H 1 6.682 0.030 . 1 . . . . 12 TYR HE1 . 10136 1 109 . 1 1 12 12 TYR HE2 H 1 6.682 0.030 . 1 . . . . 12 TYR HE2 . 10136 1 110 . 1 1 12 12 TYR C C 13 171.252 0.300 . 1 . . . . 12 TYR C . 10136 1 111 . 1 1 12 12 TYR CA C 13 52.865 0.300 . 1 . . . . 12 TYR CA . 10136 1 112 . 1 1 12 12 TYR CB C 13 40.123 0.300 . 1 . . . . 12 TYR CB . 10136 1 113 . 1 1 12 12 TYR CD1 C 13 133.445 0.300 . 1 . . . . 12 TYR CD1 . 10136 1 114 . 1 1 12 12 TYR CD2 C 13 133.445 0.300 . 1 . . . . 12 TYR CD2 . 10136 1 115 . 1 1 12 12 TYR CE1 C 13 117.469 0.300 . 1 . . . . 12 TYR CE1 . 10136 1 116 . 1 1 12 12 TYR CE2 C 13 117.469 0.300 . 1 . . . . 12 TYR CE2 . 10136 1 117 . 1 1 12 12 TYR N N 15 116.328 0.300 . 1 . . . . 12 TYR N . 10136 1 118 . 1 1 13 13 PRO HA H 1 4.618 0.030 . 1 . . . . 13 PRO HA . 10136 1 119 . 1 1 13 13 PRO HB2 H 1 2.028 0.030 . 2 . . . . 13 PRO HB2 . 10136 1 120 . 1 1 13 13 PRO HB3 H 1 2.556 0.030 . 2 . . . . 13 PRO HB3 . 10136 1 121 . 1 1 13 13 PRO HG2 H 1 2.211 0.030 . 1 . . . . 13 PRO HG2 . 10136 1 122 . 1 1 13 13 PRO HG3 H 1 2.211 0.030 . 1 . . . . 13 PRO HG3 . 10136 1 123 . 1 1 13 13 PRO HD2 H 1 3.865 0.030 . 1 . . . . 13 PRO HD2 . 10136 1 124 . 1 1 13 13 PRO HD3 H 1 3.865 0.030 . 1 . . . . 13 PRO HD3 . 10136 1 125 . 1 1 13 13 PRO C C 13 175.311 0.300 . 1 . . . . 13 PRO C . 10136 1 126 . 1 1 13 13 PRO CA C 13 61.898 0.300 . 1 . . . . 13 PRO CA . 10136 1 127 . 1 1 13 13 PRO CB C 13 31.903 0.300 . 1 . . . . 13 PRO CB . 10136 1 128 . 1 1 13 13 PRO CG C 13 26.952 0.300 . 1 . . . . 13 PRO CG . 10136 1 129 . 1 1 13 13 PRO CD C 13 49.529 0.300 . 1 . . . . 13 PRO CD . 10136 1 130 . 1 1 14 14 PHE H H 1 7.973 0.030 . 1 . . . . 14 PHE H . 10136 1 131 . 1 1 14 14 PHE HA H 1 4.580 0.030 . 1 . . . . 14 PHE HA . 10136 1 132 . 1 1 14 14 PHE HB2 H 1 1.123 0.030 . 2 . . . . 14 PHE HB2 . 10136 1 133 . 1 1 14 14 PHE HB3 H 1 2.292 0.030 . 2 . . . . 14 PHE HB3 . 10136 1 134 . 1 1 14 14 PHE HD1 H 1 6.901 0.030 . 1 . . . . 14 PHE HD1 . 10136 1 135 . 1 1 14 14 PHE HD2 H 1 6.901 0.030 . 1 . . . . 14 PHE HD2 . 10136 1 136 . 1 1 14 14 PHE HE1 H 1 7.289 0.030 . 1 . . . . 14 PHE HE1 . 10136 1 137 . 1 1 14 14 PHE HE2 H 1 7.289 0.030 . 1 . . . . 14 PHE HE2 . 10136 1 138 . 1 1 14 14 PHE HZ H 1 7.482 0.030 . 1 . . . . 14 PHE HZ . 10136 1 139 . 1 1 14 14 PHE C C 13 172.851 0.300 . 1 . . . . 14 PHE C . 10136 1 140 . 1 1 14 14 PHE CA C 13 56.585 0.300 . 1 . . . . 14 PHE CA . 10136 1 141 . 1 1 14 14 PHE CB C 13 42.533 0.300 . 1 . . . . 14 PHE CB . 10136 1 142 . 1 1 14 14 PHE CD1 C 13 131.758 0.300 . 1 . . . . 14 PHE CD1 . 10136 1 143 . 1 1 14 14 PHE CD2 C 13 131.758 0.300 . 1 . . . . 14 PHE CD2 . 10136 1 144 . 1 1 14 14 PHE CE1 C 13 130.633 0.300 . 1 . . . . 14 PHE CE1 . 10136 1 145 . 1 1 14 14 PHE CE2 C 13 130.633 0.300 . 1 . . . . 14 PHE CE2 . 10136 1 146 . 1 1 14 14 PHE CZ C 13 129.058 0.300 . 1 . . . . 14 PHE CZ . 10136 1 147 . 1 1 14 14 PHE N N 15 121.460 0.300 . 1 . . . . 14 PHE N . 10136 1 148 . 1 1 15 15 GLU H H 1 7.259 0.030 . 1 . . . . 15 GLU H . 10136 1 149 . 1 1 15 15 GLU HA H 1 4.253 0.030 . 1 . . . . 15 GLU HA . 10136 1 150 . 1 1 15 15 GLU HB2 H 1 1.601 0.030 . 1 . . . . 15 GLU HB2 . 10136 1 151 . 1 1 15 15 GLU HB3 H 1 1.601 0.030 . 1 . . . . 15 GLU HB3 . 10136 1 152 . 1 1 15 15 GLU HG2 H 1 2.004 0.030 . 1 . . . . 15 GLU HG2 . 10136 1 153 . 1 1 15 15 GLU HG3 H 1 2.004 0.030 . 1 . . . . 15 GLU HG3 . 10136 1 154 . 1 1 15 15 GLU C C 13 172.973 0.300 . 1 . . . . 15 GLU C . 10136 1 155 . 1 1 15 15 GLU CA C 13 52.964 0.300 . 1 . . . . 15 GLU CA . 10136 1 156 . 1 1 15 15 GLU CB C 13 30.356 0.300 . 1 . . . . 15 GLU CB . 10136 1 157 . 1 1 15 15 GLU CG C 13 35.366 0.300 . 1 . . . . 15 GLU CG . 10136 1 158 . 1 1 15 15 GLU N N 15 127.953 0.300 . 1 . . . . 15 GLU N . 10136 1 159 . 1 1 16 16 ALA H H 1 8.229 0.030 . 1 . . . . 16 ALA H . 10136 1 160 . 1 1 16 16 ALA HA H 1 3.903 0.030 . 1 . . . . 16 ALA HA . 10136 1 161 . 1 1 16 16 ALA HB1 H 1 1.260 0.030 . 1 . . . . 16 ALA HB . 10136 1 162 . 1 1 16 16 ALA HB2 H 1 1.260 0.030 . 1 . . . . 16 ALA HB . 10136 1 163 . 1 1 16 16 ALA HB3 H 1 1.260 0.030 . 1 . . . . 16 ALA HB . 10136 1 164 . 1 1 16 16 ALA C C 13 178.648 0.300 . 1 . . . . 16 ALA C . 10136 1 165 . 1 1 16 16 ALA CA C 13 52.328 0.300 . 1 . . . . 16 ALA CA . 10136 1 166 . 1 1 16 16 ALA CB C 13 19.966 0.300 . 1 . . . . 16 ALA CB . 10136 1 167 . 1 1 16 16 ALA N N 15 127.294 0.300 . 1 . . . . 16 ALA N . 10136 1 168 . 1 1 17 17 ARG H H 1 9.191 0.030 . 1 . . . . 17 ARG H . 10136 1 169 . 1 1 17 17 ARG HA H 1 4.316 0.030 . 1 . . . . 17 ARG HA . 10136 1 170 . 1 1 17 17 ARG HB2 H 1 1.917 0.030 . 1 . . . . 17 ARG HB2 . 10136 1 171 . 1 1 17 17 ARG HB3 H 1 1.917 0.030 . 1 . . . . 17 ARG HB3 . 10136 1 172 . 1 1 17 17 ARG HG2 H 1 1.742 0.030 . 1 . . . . 17 ARG HG2 . 10136 1 173 . 1 1 17 17 ARG HG3 H 1 1.742 0.030 . 1 . . . . 17 ARG HG3 . 10136 1 174 . 1 1 17 17 ARG HD2 H 1 3.258 0.030 . 2 . . . . 17 ARG HD2 . 10136 1 175 . 1 1 17 17 ARG HD3 H 1 3.370 0.030 . 2 . . . . 17 ARG HD3 . 10136 1 176 . 1 1 17 17 ARG C C 13 175.619 0.300 . 1 . . . . 17 ARG C . 10136 1 177 . 1 1 17 17 ARG CA C 13 56.141 0.300 . 1 . . . . 17 ARG CA . 10136 1 178 . 1 1 17 17 ARG CB C 13 30.189 0.300 . 1 . . . . 17 ARG CB . 10136 1 179 . 1 1 17 17 ARG CG C 13 26.564 0.300 . 1 . . . . 17 ARG CG . 10136 1 180 . 1 1 17 17 ARG CD C 13 42.447 0.300 . 1 . . . . 17 ARG CD . 10136 1 181 . 1 1 17 17 ARG N N 15 121.223 0.300 . 1 . . . . 17 ARG N . 10136 1 182 . 1 1 18 18 ASN H H 1 7.547 0.030 . 1 . . . . 18 ASN H . 10136 1 183 . 1 1 18 18 ASN HA H 1 4.763 0.030 . 1 . . . . 18 ASN HA . 10136 1 184 . 1 1 18 18 ASN HB2 H 1 2.777 0.030 . 2 . . . . 18 ASN HB2 . 10136 1 185 . 1 1 18 18 ASN HB3 H 1 2.903 0.030 . 2 . . . . 18 ASN HB3 . 10136 1 186 . 1 1 18 18 ASN HD21 H 1 6.738 0.030 . 2 . . . . 18 ASN HD21 . 10136 1 187 . 1 1 18 18 ASN HD22 H 1 7.587 0.030 . 2 . . . . 18 ASN HD22 . 10136 1 188 . 1 1 18 18 ASN C C 13 175.656 0.300 . 1 . . . . 18 ASN C . 10136 1 189 . 1 1 18 18 ASN CA C 13 51.480 0.300 . 1 . . . . 18 ASN CA . 10136 1 190 . 1 1 18 18 ASN CB C 13 40.290 0.300 . 1 . . . . 18 ASN CB . 10136 1 191 . 1 1 18 18 ASN N N 15 113.786 0.300 . 1 . . . . 18 ASN N . 10136 1 192 . 1 1 18 18 ASN ND2 N 15 115.205 0.300 . 1 . . . . 18 ASN ND2 . 10136 1 193 . 1 1 19 19 HIS HA H 1 4.577 0.030 . 1 . . . . 19 HIS HA . 10136 1 194 . 1 1 19 19 HIS HB2 H 1 3.356 0.030 . 1 . . . . 19 HIS HB2 . 10136 1 195 . 1 1 19 19 HIS HB3 H 1 3.356 0.030 . 1 . . . . 19 HIS HB3 . 10136 1 196 . 1 1 19 19 HIS HD2 H 1 7.351 0.030 . 1 . . . . 19 HIS HD2 . 10136 1 197 . 1 1 19 19 HIS HE1 H 1 8.463 0.030 . 1 . . . . 19 HIS HE1 . 10136 1 198 . 1 1 19 19 HIS CA C 13 57.552 0.300 . 1 . . . . 19 HIS CA . 10136 1 199 . 1 1 19 19 HIS CB C 13 28.458 0.300 . 1 . . . . 19 HIS CB . 10136 1 200 . 1 1 19 19 HIS CD2 C 13 119.656 0.300 . 1 . . . . 19 HIS CD2 . 10136 1 201 . 1 1 19 19 HIS CE1 C 13 136.570 0.300 . 1 . . . . 19 HIS CE1 . 10136 1 202 . 1 1 20 20 ASP H H 1 8.624 0.030 . 1 . . . . 20 ASP H . 10136 1 203 . 1 1 20 20 ASP HA H 1 4.957 0.030 . 1 . . . . 20 ASP HA . 10136 1 204 . 1 1 20 20 ASP HB2 H 1 2.946 0.030 . 1 . . . . 20 ASP HB2 . 10136 1 205 . 1 1 20 20 ASP HB3 H 1 2.946 0.030 . 1 . . . . 20 ASP HB3 . 10136 1 206 . 1 1 20 20 ASP C C 13 175.557 0.300 . 1 . . . . 20 ASP C . 10136 1 207 . 1 1 20 20 ASP CA C 13 54.517 0.300 . 1 . . . . 20 ASP CA . 10136 1 208 . 1 1 20 20 ASP CB C 13 40.538 0.300 . 1 . . . . 20 ASP CB . 10136 1 209 . 1 1 20 20 ASP N N 15 118.338 0.300 . 1 . . . . 20 ASP N . 10136 1 210 . 1 1 21 21 GLU H H 1 7.551 0.030 . 1 . . . . 21 GLU H . 10136 1 211 . 1 1 21 21 GLU HA H 1 5.548 0.030 . 1 . . . . 21 GLU HA . 10136 1 212 . 1 1 21 21 GLU HB2 H 1 2.250 0.030 . 2 . . . . 21 GLU HB2 . 10136 1 213 . 1 1 21 21 GLU HB3 H 1 2.570 0.030 . 2 . . . . 21 GLU HB3 . 10136 1 214 . 1 1 21 21 GLU HG2 H 1 2.576 0.030 . 2 . . . . 21 GLU HG2 . 10136 1 215 . 1 1 21 21 GLU HG3 H 1 2.628 0.030 . 2 . . . . 21 GLU HG3 . 10136 1 216 . 1 1 21 21 GLU C C 13 174.770 0.300 . 1 . . . . 21 GLU C . 10136 1 217 . 1 1 21 21 GLU CA C 13 54.722 0.300 . 1 . . . . 21 GLU CA . 10136 1 218 . 1 1 21 21 GLU CB C 13 32.864 0.300 . 1 . . . . 21 GLU CB . 10136 1 219 . 1 1 21 21 GLU CG C 13 36.033 0.300 . 1 . . . . 21 GLU CG . 10136 1 220 . 1 1 21 21 GLU N N 15 119.611 0.300 . 1 . . . . 21 GLU N . 10136 1 221 . 1 1 22 22 MET H H 1 8.285 0.030 . 1 . . . . 22 MET H . 10136 1 222 . 1 1 22 22 MET HA H 1 4.806 0.030 . 1 . . . . 22 MET HA . 10136 1 223 . 1 1 22 22 MET HB2 H 1 1.626 0.030 . 2 . . . . 22 MET HB2 . 10136 1 224 . 1 1 22 22 MET HB3 H 1 1.953 0.030 . 2 . . . . 22 MET HB3 . 10136 1 225 . 1 1 22 22 MET HG2 H 1 2.394 0.030 . 2 . . . . 22 MET HG2 . 10136 1 226 . 1 1 22 22 MET HG3 H 1 2.522 0.030 . 2 . . . . 22 MET HG3 . 10136 1 227 . 1 1 22 22 MET HE1 H 1 1.684 0.030 . 1 . . . . 22 MET HE . 10136 1 228 . 1 1 22 22 MET HE2 H 1 1.684 0.030 . 1 . . . . 22 MET HE . 10136 1 229 . 1 1 22 22 MET HE3 H 1 1.684 0.030 . 1 . . . . 22 MET HE . 10136 1 230 . 1 1 22 22 MET C C 13 172.421 0.300 . 1 . . . . 22 MET C . 10136 1 231 . 1 1 22 22 MET CA C 13 54.241 0.300 . 1 . . . . 22 MET CA . 10136 1 232 . 1 1 22 22 MET CB C 13 36.258 0.300 . 1 . . . . 22 MET CB . 10136 1 233 . 1 1 22 22 MET CG C 13 30.784 0.300 . 1 . . . . 22 MET CG . 10136 1 234 . 1 1 22 22 MET CE C 13 17.001 0.300 . 1 . . . . 22 MET CE . 10136 1 235 . 1 1 22 22 MET N N 15 121.133 0.300 . 1 . . . . 22 MET N . 10136 1 236 . 1 1 23 23 SER H H 1 7.870 0.030 . 1 . . . . 23 SER H . 10136 1 237 . 1 1 23 23 SER HA H 1 4.806 0.030 . 1 . . . . 23 SER HA . 10136 1 238 . 1 1 23 23 SER HB2 H 1 3.687 0.030 . 2 . . . . 23 SER HB2 . 10136 1 239 . 1 1 23 23 SER HB3 H 1 4.027 0.030 . 2 . . . . 23 SER HB3 . 10136 1 240 . 1 1 23 23 SER C C 13 173.208 0.300 . 1 . . . . 23 SER C . 10136 1 241 . 1 1 23 23 SER CA C 13 57.384 0.300 . 1 . . . . 23 SER CA . 10136 1 242 . 1 1 23 23 SER CB C 13 64.853 0.300 . 1 . . . . 23 SER CB . 10136 1 243 . 1 1 23 23 SER N N 15 117.076 0.300 . 1 . . . . 23 SER N . 10136 1 244 . 1 1 24 24 PHE H H 1 8.281 0.030 . 1 . . . . 24 PHE H . 10136 1 245 . 1 1 24 24 PHE HA H 1 4.618 0.030 . 1 . . . . 24 PHE HA . 10136 1 246 . 1 1 24 24 PHE HB2 H 1 2.870 0.030 . 1 . . . . 24 PHE HB2 . 10136 1 247 . 1 1 24 24 PHE HB3 H 1 2.870 0.030 . 1 . . . . 24 PHE HB3 . 10136 1 248 . 1 1 24 24 PHE HD1 H 1 6.529 0.030 . 1 . . . . 24 PHE HD1 . 10136 1 249 . 1 1 24 24 PHE HD2 H 1 6.529 0.030 . 1 . . . . 24 PHE HD2 . 10136 1 250 . 1 1 24 24 PHE HE1 H 1 6.936 0.030 . 1 . . . . 24 PHE HE1 . 10136 1 251 . 1 1 24 24 PHE HE2 H 1 6.936 0.030 . 1 . . . . 24 PHE HE2 . 10136 1 252 . 1 1 24 24 PHE HZ H 1 6.487 0.030 . 1 . . . . 24 PHE HZ . 10136 1 253 . 1 1 24 24 PHE C C 13 173.650 0.300 . 1 . . . . 24 PHE C . 10136 1 254 . 1 1 24 24 PHE CA C 13 56.426 0.300 . 1 . . . . 24 PHE CA . 10136 1 255 . 1 1 24 24 PHE CB C 13 38.710 0.300 . 1 . . . . 24 PHE CB . 10136 1 256 . 1 1 24 24 PHE CD1 C 13 131.870 0.300 . 1 . . . . 24 PHE CD1 . 10136 1 257 . 1 1 24 24 PHE CD2 C 13 131.870 0.300 . 1 . . . . 24 PHE CD2 . 10136 1 258 . 1 1 24 24 PHE CE1 C 13 130.633 0.300 . 1 . . . . 24 PHE CE1 . 10136 1 259 . 1 1 24 24 PHE CE2 C 13 130.633 0.300 . 1 . . . . 24 PHE CE2 . 10136 1 260 . 1 1 24 24 PHE CZ C 13 127.483 0.300 . 1 . . . . 24 PHE CZ . 10136 1 261 . 1 1 24 24 PHE N N 15 115.158 0.300 . 1 . . . . 24 PHE N . 10136 1 262 . 1 1 25 25 ASN H H 1 9.761 0.030 . 1 . . . . 25 ASN H . 10136 1 263 . 1 1 25 25 ASN HA H 1 5.083 0.030 . 1 . . . . 25 ASN HA . 10136 1 264 . 1 1 25 25 ASN HB2 H 1 2.696 0.030 . 2 . . . . 25 ASN HB2 . 10136 1 265 . 1 1 25 25 ASN HB3 H 1 2.784 0.030 . 2 . . . . 25 ASN HB3 . 10136 1 266 . 1 1 25 25 ASN HD21 H 1 6.925 0.030 . 2 . . . . 25 ASN HD21 . 10136 1 267 . 1 1 25 25 ASN HD22 H 1 8.012 0.030 . 2 . . . . 25 ASN HD22 . 10136 1 268 . 1 1 25 25 ASN C C 13 174.487 0.300 . 1 . . . . 25 ASN C . 10136 1 269 . 1 1 25 25 ASN CA C 13 50.496 0.300 . 1 . . . . 25 ASN CA . 10136 1 270 . 1 1 25 25 ASN CB C 13 40.954 0.300 . 1 . . . . 25 ASN CB . 10136 1 271 . 1 1 25 25 ASN N N 15 120.321 0.300 . 1 . . . . 25 ASN N . 10136 1 272 . 1 1 25 25 ASN ND2 N 15 114.736 0.300 . 1 . . . . 25 ASN ND2 . 10136 1 273 . 1 1 26 26 SER H H 1 8.071 0.030 . 1 . . . . 26 SER H . 10136 1 274 . 1 1 26 26 SER HA H 1 3.392 0.030 . 1 . . . . 26 SER HA . 10136 1 275 . 1 1 26 26 SER HB2 H 1 3.574 0.030 . 1 . . . . 26 SER HB2 . 10136 1 276 . 1 1 26 26 SER HB3 H 1 3.574 0.030 . 1 . . . . 26 SER HB3 . 10136 1 277 . 1 1 26 26 SER C C 13 175.016 0.300 . 1 . . . . 26 SER C . 10136 1 278 . 1 1 26 26 SER CA C 13 59.746 0.300 . 1 . . . . 26 SER CA . 10136 1 279 . 1 1 26 26 SER CB C 13 62.276 0.300 . 1 . . . . 26 SER CB . 10136 1 280 . 1 1 26 26 SER N N 15 113.627 0.300 . 1 . . . . 26 SER N . 10136 1 281 . 1 1 27 27 GLY H H 1 8.899 0.030 . 1 . . . . 27 GLY H . 10136 1 282 . 1 1 27 27 GLY HA2 H 1 3.386 0.030 . 2 . . . . 27 GLY HA2 . 10136 1 283 . 1 1 27 27 GLY HA3 H 1 4.329 0.030 . 2 . . . . 27 GLY HA3 . 10136 1 284 . 1 1 27 27 GLY C C 13 173.652 0.300 . 1 . . . . 27 GLY C . 10136 1 285 . 1 1 27 27 GLY CA C 13 44.725 0.300 . 1 . . . . 27 GLY CA . 10136 1 286 . 1 1 27 27 GLY N N 15 114.312 0.300 . 1 . . . . 27 GLY N . 10136 1 287 . 1 1 28 28 ASP H H 1 7.457 0.030 . 1 . . . . 28 ASP H . 10136 1 288 . 1 1 28 28 ASP HA H 1 4.442 0.030 . 1 . . . . 28 ASP HA . 10136 1 289 . 1 1 28 28 ASP HB2 H 1 1.638 0.030 . 2 . . . . 28 ASP HB2 . 10136 1 290 . 1 1 28 28 ASP HB3 H 1 2.279 0.030 . 2 . . . . 28 ASP HB3 . 10136 1 291 . 1 1 28 28 ASP C C 13 173.995 0.300 . 1 . . . . 28 ASP C . 10136 1 292 . 1 1 28 28 ASP CA C 13 55.307 0.300 . 1 . . . . 28 ASP CA . 10136 1 293 . 1 1 28 28 ASP CB C 13 40.913 0.300 . 1 . . . . 28 ASP CB . 10136 1 294 . 1 1 28 28 ASP N N 15 122.565 0.300 . 1 . . . . 28 ASP N . 10136 1 295 . 1 1 29 29 ILE H H 1 8.038 0.030 . 1 . . . . 29 ILE H . 10136 1 296 . 1 1 29 29 ILE HA H 1 4.567 0.030 . 1 . . . . 29 ILE HA . 10136 1 297 . 1 1 29 29 ILE HB H 1 1.865 0.030 . 1 . . . . 29 ILE HB . 10136 1 298 . 1 1 29 29 ILE HG12 H 1 1.223 0.030 . 2 . . . . 29 ILE HG12 . 10136 1 299 . 1 1 29 29 ILE HG13 H 1 1.590 0.030 . 2 . . . . 29 ILE HG13 . 10136 1 300 . 1 1 29 29 ILE HG21 H 1 0.778 0.030 . 1 . . . . 29 ILE HG2 . 10136 1 301 . 1 1 29 29 ILE HG22 H 1 0.778 0.030 . 1 . . . . 29 ILE HG2 . 10136 1 302 . 1 1 29 29 ILE HG23 H 1 0.778 0.030 . 1 . . . . 29 ILE HG2 . 10136 1 303 . 1 1 29 29 ILE HD11 H 1 0.801 0.030 . 1 . . . . 29 ILE HD1 . 10136 1 304 . 1 1 29 29 ILE HD12 H 1 0.801 0.030 . 1 . . . . 29 ILE HD1 . 10136 1 305 . 1 1 29 29 ILE HD13 H 1 0.801 0.030 . 1 . . . . 29 ILE HD1 . 10136 1 306 . 1 1 29 29 ILE C C 13 174.499 0.300 . 1 . . . . 29 ILE C . 10136 1 307 . 1 1 29 29 ILE CA C 13 59.331 0.300 . 1 . . . . 29 ILE CA . 10136 1 308 . 1 1 29 29 ILE CB C 13 36.715 0.300 . 1 . . . . 29 ILE CB . 10136 1 309 . 1 1 29 29 ILE CG1 C 13 26.952 0.300 . 1 . . . . 29 ILE CG1 . 10136 1 310 . 1 1 29 29 ILE CG2 C 13 16.705 0.300 . 1 . . . . 29 ILE CG2 . 10136 1 311 . 1 1 29 29 ILE CD1 C 13 11.539 0.300 . 1 . . . . 29 ILE CD1 . 10136 1 312 . 1 1 29 29 ILE N N 15 120.651 0.300 . 1 . . . . 29 ILE N . 10136 1 313 . 1 1 30 30 ILE H H 1 9.049 0.030 . 1 . . . . 30 ILE H . 10136 1 314 . 1 1 30 30 ILE HA H 1 4.127 0.030 . 1 . . . . 30 ILE HA . 10136 1 315 . 1 1 30 30 ILE HB H 1 1.161 0.030 . 1 . . . . 30 ILE HB . 10136 1 316 . 1 1 30 30 ILE HG12 H 1 0.194 0.030 . 2 . . . . 30 ILE HG12 . 10136 1 317 . 1 1 30 30 ILE HG13 H 1 0.299 0.030 . 2 . . . . 30 ILE HG13 . 10136 1 318 . 1 1 30 30 ILE HG21 H 1 0.347 0.030 . 1 . . . . 30 ILE HG2 . 10136 1 319 . 1 1 30 30 ILE HG22 H 1 0.347 0.030 . 1 . . . . 30 ILE HG2 . 10136 1 320 . 1 1 30 30 ILE HG23 H 1 0.347 0.030 . 1 . . . . 30 ILE HG2 . 10136 1 321 . 1 1 30 30 ILE HD11 H 1 -0.726 0.030 . 1 . . . . 30 ILE HD1 . 10136 1 322 . 1 1 30 30 ILE HD12 H 1 -0.726 0.030 . 1 . . . . 30 ILE HD1 . 10136 1 323 . 1 1 30 30 ILE HD13 H 1 -0.726 0.030 . 1 . . . . 30 ILE HD1 . 10136 1 324 . 1 1 30 30 ILE C C 13 175.410 0.300 . 1 . . . . 30 ILE C . 10136 1 325 . 1 1 30 30 ILE CA C 13 59.071 0.300 . 1 . . . . 30 ILE CA . 10136 1 326 . 1 1 30 30 ILE CB C 13 39.999 0.300 . 1 . . . . 30 ILE CB . 10136 1 327 . 1 1 30 30 ILE CG1 C 13 27.014 0.300 . 1 . . . . 30 ILE CG1 . 10136 1 328 . 1 1 30 30 ILE CG2 C 13 18.537 0.300 . 1 . . . . 30 ILE CG2 . 10136 1 329 . 1 1 30 30 ILE CD1 C 13 11.706 0.300 . 1 . . . . 30 ILE CD1 . 10136 1 330 . 1 1 30 30 ILE N N 15 129.421 0.300 . 1 . . . . 30 ILE N . 10136 1 331 . 1 1 31 31 GLN H H 1 8.317 0.030 . 1 . . . . 31 GLN H . 10136 1 332 . 1 1 31 31 GLN HA H 1 4.769 0.030 . 1 . . . . 31 GLN HA . 10136 1 333 . 1 1 31 31 GLN HB2 H 1 1.986 0.030 . 2 . . . . 31 GLN HB2 . 10136 1 334 . 1 1 31 31 GLN HB3 H 1 2.053 0.030 . 2 . . . . 31 GLN HB3 . 10136 1 335 . 1 1 31 31 GLN HG2 H 1 2.404 0.030 . 1 . . . . 31 GLN HG2 . 10136 1 336 . 1 1 31 31 GLN HG3 H 1 2.404 0.030 . 1 . . . . 31 GLN HG3 . 10136 1 337 . 1 1 31 31 GLN HE21 H 1 6.725 0.030 . 2 . . . . 31 GLN HE21 . 10136 1 338 . 1 1 31 31 GLN HE22 H 1 7.425 0.030 . 2 . . . . 31 GLN HE22 . 10136 1 339 . 1 1 31 31 GLN C C 13 175.558 0.300 . 1 . . . . 31 GLN C . 10136 1 340 . 1 1 31 31 GLN CA C 13 53.860 0.300 . 1 . . . . 31 GLN CA . 10136 1 341 . 1 1 31 31 GLN CB C 13 27.654 0.300 . 1 . . . . 31 GLN CB . 10136 1 342 . 1 1 31 31 GLN CG C 13 32.700 0.300 . 1 . . . . 31 GLN CG . 10136 1 343 . 1 1 31 31 GLN N N 15 124.265 0.300 . 1 . . . . 31 GLN N . 10136 1 344 . 1 1 31 31 GLN NE2 N 15 111.767 0.300 . 1 . . . . 31 GLN NE2 . 10136 1 345 . 1 1 32 32 VAL H H 1 9.046 0.030 . 1 . . . . 32 VAL H . 10136 1 346 . 1 1 32 32 VAL HA H 1 4.316 0.030 . 1 . . . . 32 VAL HA . 10136 1 347 . 1 1 32 32 VAL HB H 1 2.028 0.030 . 1 . . . . 32 VAL HB . 10136 1 348 . 1 1 32 32 VAL HG11 H 1 0.457 0.030 . 1 . . . . 32 VAL HG1 . 10136 1 349 . 1 1 32 32 VAL HG12 H 1 0.457 0.030 . 1 . . . . 32 VAL HG1 . 10136 1 350 . 1 1 32 32 VAL HG13 H 1 0.457 0.030 . 1 . . . . 32 VAL HG1 . 10136 1 351 . 1 1 32 32 VAL HG21 H 1 0.700 0.030 . 1 . . . . 32 VAL HG2 . 10136 1 352 . 1 1 32 32 VAL HG22 H 1 0.700 0.030 . 1 . . . . 32 VAL HG2 . 10136 1 353 . 1 1 32 32 VAL HG23 H 1 0.700 0.030 . 1 . . . . 32 VAL HG2 . 10136 1 354 . 1 1 32 32 VAL C C 13 175.003 0.300 . 1 . . . . 32 VAL C . 10136 1 355 . 1 1 32 32 VAL CA C 13 62.196 0.300 . 1 . . . . 32 VAL CA . 10136 1 356 . 1 1 32 32 VAL CB C 13 34.014 0.300 . 1 . . . . 32 VAL CB . 10136 1 357 . 1 1 32 32 VAL CG1 C 13 23.203 0.300 . 2 . . . . 32 VAL CG1 . 10136 1 358 . 1 1 32 32 VAL CG2 C 13 20.703 0.300 . 2 . . . . 32 VAL CG2 . 10136 1 359 . 1 1 32 32 VAL N N 15 128.793 0.300 . 1 . . . . 32 VAL N . 10136 1 360 . 1 1 33 33 ASP H H 1 8.760 0.030 . 1 . . . . 33 ASP H . 10136 1 361 . 1 1 33 33 ASP HA H 1 5.007 0.030 . 1 . . . . 33 ASP HA . 10136 1 362 . 1 1 33 33 ASP HB2 H 1 2.682 0.030 . 2 . . . . 33 ASP HB2 . 10136 1 363 . 1 1 33 33 ASP HB3 H 1 2.996 0.030 . 2 . . . . 33 ASP HB3 . 10136 1 364 . 1 1 33 33 ASP C C 13 176.738 0.300 . 1 . . . . 33 ASP C . 10136 1 365 . 1 1 33 33 ASP CA C 13 52.183 0.300 . 1 . . . . 33 ASP CA . 10136 1 366 . 1 1 33 33 ASP CB C 13 40.538 0.300 . 1 . . . . 33 ASP CB . 10136 1 367 . 1 1 33 33 ASP N N 15 127.208 0.300 . 1 . . . . 33 ASP N . 10136 1 368 . 1 1 34 34 GLU H H 1 8.932 0.030 . 1 . . . . 34 GLU H . 10136 1 369 . 1 1 34 34 GLU HA H 1 4.052 0.030 . 1 . . . . 34 GLU HA . 10136 1 370 . 1 1 34 34 GLU HB2 H 1 2.064 0.030 . 2 . . . . 34 GLU HB2 . 10136 1 371 . 1 1 34 34 GLU HB3 H 1 2.196 0.030 . 2 . . . . 34 GLU HB3 . 10136 1 372 . 1 1 34 34 GLU HG2 H 1 2.315 0.030 . 2 . . . . 34 GLU HG2 . 10136 1 373 . 1 1 34 34 GLU HG3 H 1 2.497 0.030 . 2 . . . . 34 GLU HG3 . 10136 1 374 . 1 1 34 34 GLU C C 13 177.301 0.300 . 1 . . . . 34 GLU C . 10136 1 375 . 1 1 34 34 GLU CA C 13 58.006 0.300 . 1 . . . . 34 GLU CA . 10136 1 376 . 1 1 34 34 GLU CB C 13 29.192 0.300 . 1 . . . . 34 GLU CB . 10136 1 377 . 1 1 34 34 GLU CG C 13 36.782 0.300 . 1 . . . . 34 GLU CG . 10136 1 378 . 1 1 34 34 GLU N N 15 125.509 0.300 . 1 . . . . 34 GLU N . 10136 1 379 . 1 1 35 35 LYS H H 1 8.246 0.030 . 1 . . . . 35 LYS H . 10136 1 380 . 1 1 35 35 LYS HA H 1 4.266 0.030 . 1 . . . . 35 LYS HA . 10136 1 381 . 1 1 35 35 LYS HB2 H 1 1.965 0.030 . 1 . . . . 35 LYS HB2 . 10136 1 382 . 1 1 35 35 LYS HB3 H 1 1.965 0.030 . 1 . . . . 35 LYS HB3 . 10136 1 383 . 1 1 35 35 LYS HG2 H 1 1.455 0.030 . 2 . . . . 35 LYS HG2 . 10136 1 384 . 1 1 35 35 LYS HG3 H 1 1.511 0.030 . 2 . . . . 35 LYS HG3 . 10136 1 385 . 1 1 35 35 LYS HD2 H 1 1.701 0.030 . 1 . . . . 35 LYS HD2 . 10136 1 386 . 1 1 35 35 LYS HD3 H 1 1.701 0.030 . 1 . . . . 35 LYS HD3 . 10136 1 387 . 1 1 35 35 LYS HE2 H 1 3.030 0.030 . 1 . . . . 35 LYS HE2 . 10136 1 388 . 1 1 35 35 LYS HE3 H 1 3.030 0.030 . 1 . . . . 35 LYS HE3 . 10136 1 389 . 1 1 35 35 LYS C C 13 176.726 0.300 . 1 . . . . 35 LYS C . 10136 1 390 . 1 1 35 35 LYS CA C 13 56.231 0.300 . 1 . . . . 35 LYS CA . 10136 1 391 . 1 1 35 35 LYS CB C 13 31.603 0.300 . 1 . . . . 35 LYS CB . 10136 1 392 . 1 1 35 35 LYS CG C 13 24.536 0.300 . 1 . . . . 35 LYS CG . 10136 1 393 . 1 1 35 35 LYS CD C 13 28.285 0.300 . 1 . . . . 35 LYS CD . 10136 1 394 . 1 1 35 35 LYS CE C 13 41.614 0.300 . 1 . . . . 35 LYS CE . 10136 1 395 . 1 1 35 35 LYS N N 15 116.515 0.300 . 1 . . . . 35 LYS N . 10136 1 396 . 1 1 36 36 THR H H 1 7.288 0.030 . 1 . . . . 36 THR H . 10136 1 397 . 1 1 36 36 THR HA H 1 4.178 0.030 . 1 . . . . 36 THR HA . 10136 1 398 . 1 1 36 36 THR HB H 1 3.939 0.030 . 1 . . . . 36 THR HB . 10136 1 399 . 1 1 36 36 THR HG21 H 1 0.786 0.030 . 1 . . . . 36 THR HG2 . 10136 1 400 . 1 1 36 36 THR HG22 H 1 0.786 0.030 . 1 . . . . 36 THR HG2 . 10136 1 401 . 1 1 36 36 THR HG23 H 1 0.786 0.030 . 1 . . . . 36 THR HG2 . 10136 1 402 . 1 1 36 36 THR C C 13 172.457 0.300 . 1 . . . . 36 THR C . 10136 1 403 . 1 1 36 36 THR CA C 13 63.279 0.300 . 1 . . . . 36 THR CA . 10136 1 404 . 1 1 36 36 THR CB C 13 68.303 0.300 . 1 . . . . 36 THR CB . 10136 1 405 . 1 1 36 36 THR CG2 C 13 21.287 0.300 . 1 . . . . 36 THR CG2 . 10136 1 406 . 1 1 36 36 THR N N 15 118.963 0.300 . 1 . . . . 36 THR N . 10136 1 407 . 1 1 37 37 VAL H H 1 8.392 0.030 . 1 . . . . 37 VAL H . 10136 1 408 . 1 1 37 37 VAL HA H 1 4.316 0.030 . 1 . . . . 37 VAL HA . 10136 1 409 . 1 1 37 37 VAL HB H 1 2.028 0.030 . 1 . . . . 37 VAL HB . 10136 1 410 . 1 1 37 37 VAL HG11 H 1 0.950 0.030 . 1 . . . . 37 VAL HG1 . 10136 1 411 . 1 1 37 37 VAL HG12 H 1 0.950 0.030 . 1 . . . . 37 VAL HG1 . 10136 1 412 . 1 1 37 37 VAL HG13 H 1 0.950 0.030 . 1 . . . . 37 VAL HG1 . 10136 1 413 . 1 1 37 37 VAL HG21 H 1 0.997 0.030 . 1 . . . . 37 VAL HG2 . 10136 1 414 . 1 1 37 37 VAL HG22 H 1 0.997 0.030 . 1 . . . . 37 VAL HG2 . 10136 1 415 . 1 1 37 37 VAL HG23 H 1 0.997 0.030 . 1 . . . . 37 VAL HG2 . 10136 1 416 . 1 1 37 37 VAL C C 13 175.754 0.300 . 1 . . . . 37 VAL C . 10136 1 417 . 1 1 37 37 VAL CA C 13 61.627 0.300 . 1 . . . . 37 VAL CA . 10136 1 418 . 1 1 37 37 VAL CB C 13 33.307 0.300 . 1 . . . . 37 VAL CB . 10136 1 419 . 1 1 37 37 VAL CG1 C 13 20.120 0.300 . 2 . . . . 37 VAL CG1 . 10136 1 420 . 1 1 37 37 VAL CG2 C 13 20.870 0.300 . 2 . . . . 37 VAL CG2 . 10136 1 421 . 1 1 37 37 VAL N N 15 127.151 0.300 . 1 . . . . 37 VAL N . 10136 1 422 . 1 1 38 38 GLY H H 1 8.919 0.030 . 1 . . . . 38 GLY H . 10136 1 423 . 1 1 38 38 GLY HA2 H 1 3.159 0.030 . 2 . . . . 38 GLY HA2 . 10136 1 424 . 1 1 38 38 GLY HA3 H 1 4.153 0.030 . 2 . . . . 38 GLY HA3 . 10136 1 425 . 1 1 38 38 GLY C C 13 172.888 0.300 . 1 . . . . 38 GLY C . 10136 1 426 . 1 1 38 38 GLY CA C 13 44.801 0.300 . 1 . . . . 38 GLY CA . 10136 1 427 . 1 1 38 38 GLY N N 15 117.462 0.300 . 1 . . . . 38 GLY N . 10136 1 428 . 1 1 39 39 GLU H H 1 8.079 0.030 . 1 . . . . 39 GLU H . 10136 1 429 . 1 1 39 39 GLU HA H 1 4.310 0.030 . 1 . . . . 39 GLU HA . 10136 1 430 . 1 1 39 39 GLU HB2 H 1 1.350 0.030 . 2 . . . . 39 GLU HB2 . 10136 1 431 . 1 1 39 39 GLU HB3 H 1 1.697 0.030 . 2 . . . . 39 GLU HB3 . 10136 1 432 . 1 1 39 39 GLU HG2 H 1 1.862 0.030 . 2 . . . . 39 GLU HG2 . 10136 1 433 . 1 1 39 39 GLU HG3 H 1 2.009 0.030 . 2 . . . . 39 GLU HG3 . 10136 1 434 . 1 1 39 39 GLU C C 13 174.352 0.300 . 1 . . . . 39 GLU C . 10136 1 435 . 1 1 39 39 GLU CA C 13 53.903 0.300 . 1 . . . . 39 GLU CA . 10136 1 436 . 1 1 39 39 GLU CB C 13 28.639 0.300 . 1 . . . . 39 GLU CB . 10136 1 437 . 1 1 39 39 GLU CG C 13 34.777 0.300 . 1 . . . . 39 GLU CG . 10136 1 438 . 1 1 39 39 GLU N N 15 128.715 0.300 . 1 . . . . 39 GLU N . 10136 1 439 . 1 1 40 40 PRO HA H 1 4.466 0.030 . 1 . . . . 40 PRO HA . 10136 1 440 . 1 1 40 40 PRO HB2 H 1 1.953 0.030 . 2 . . . . 40 PRO HB2 . 10136 1 441 . 1 1 40 40 PRO HB3 H 1 2.330 0.030 . 2 . . . . 40 PRO HB3 . 10136 1 442 . 1 1 40 40 PRO HG2 H 1 2.049 0.030 . 2 . . . . 40 PRO HG2 . 10136 1 443 . 1 1 40 40 PRO HG3 H 1 2.165 0.030 . 2 . . . . 40 PRO HG3 . 10136 1 444 . 1 1 40 40 PRO HD2 H 1 3.653 0.030 . 2 . . . . 40 PRO HD2 . 10136 1 445 . 1 1 40 40 PRO HD3 H 1 3.869 0.030 . 2 . . . . 40 PRO HD3 . 10136 1 446 . 1 1 40 40 PRO C C 13 177.821 0.300 . 1 . . . . 40 PRO C . 10136 1 447 . 1 1 40 40 PRO CA C 13 63.691 0.300 . 1 . . . . 40 PRO CA . 10136 1 448 . 1 1 40 40 PRO CB C 13 31.072 0.300 . 1 . . . . 40 PRO CB . 10136 1 449 . 1 1 40 40 PRO CG C 13 27.452 0.300 . 1 . . . . 40 PRO CG . 10136 1 450 . 1 1 40 40 PRO CD C 13 50.195 0.300 . 1 . . . . 40 PRO CD . 10136 1 451 . 1 1 41 41 GLY H H 1 9.023 0.030 . 1 . . . . 41 GLY H . 10136 1 452 . 1 1 41 41 GLY HA2 H 1 3.826 0.030 . 2 . . . . 41 GLY HA2 . 10136 1 453 . 1 1 41 41 GLY HA3 H 1 4.329 0.030 . 2 . . . . 41 GLY HA3 . 10136 1 454 . 1 1 41 41 GLY C C 13 174.413 0.300 . 1 . . . . 41 GLY C . 10136 1 455 . 1 1 41 41 GLY CA C 13 44.886 0.300 . 1 . . . . 41 GLY CA . 10136 1 456 . 1 1 41 41 GLY N N 15 111.147 0.300 . 1 . . . . 41 GLY N . 10136 1 457 . 1 1 42 42 TRP H H 1 8.026 0.030 . 1 . . . . 42 TRP H . 10136 1 458 . 1 1 42 42 TRP HA H 1 4.982 0.030 . 1 . . . . 42 TRP HA . 10136 1 459 . 1 1 42 42 TRP HB2 H 1 3.084 0.030 . 2 . . . . 42 TRP HB2 . 10136 1 460 . 1 1 42 42 TRP HB3 H 1 3.285 0.030 . 2 . . . . 42 TRP HB3 . 10136 1 461 . 1 1 42 42 TRP HD1 H 1 7.034 0.030 . 1 . . . . 42 TRP HD1 . 10136 1 462 . 1 1 42 42 TRP HE1 H 1 10.080 0.030 . 1 . . . . 42 TRP HE1 . 10136 1 463 . 1 1 42 42 TRP HE3 H 1 7.473 0.030 . 1 . . . . 42 TRP HE3 . 10136 1 464 . 1 1 42 42 TRP HZ2 H 1 7.445 0.030 . 1 . . . . 42 TRP HZ2 . 10136 1 465 . 1 1 42 42 TRP HZ3 H 1 6.897 0.030 . 1 . . . . 42 TRP HZ3 . 10136 1 466 . 1 1 42 42 TRP HH2 H 1 7.256 0.030 . 1 . . . . 42 TRP HH2 . 10136 1 467 . 1 1 42 42 TRP C C 13 174.705 0.300 . 1 . . . . 42 TRP C . 10136 1 468 . 1 1 42 42 TRP CA C 13 56.603 0.300 . 1 . . . . 42 TRP CA . 10136 1 469 . 1 1 42 42 TRP CB C 13 31.146 0.300 . 1 . . . . 42 TRP CB . 10136 1 470 . 1 1 42 42 TRP CD1 C 13 127.145 0.300 . 1 . . . . 42 TRP CD1 . 10136 1 471 . 1 1 42 42 TRP CE3 C 13 119.382 0.300 . 1 . . . . 42 TRP CE3 . 10136 1 472 . 1 1 42 42 TRP CZ2 C 13 114.094 0.300 . 1 . . . . 42 TRP CZ2 . 10136 1 473 . 1 1 42 42 TRP CZ3 C 13 120.282 0.300 . 1 . . . . 42 TRP CZ3 . 10136 1 474 . 1 1 42 42 TRP CH2 C 13 124.557 0.300 . 1 . . . . 42 TRP CH2 . 10136 1 475 . 1 1 42 42 TRP N N 15 123.072 0.300 . 1 . . . . 42 TRP N . 10136 1 476 . 1 1 42 42 TRP NE1 N 15 130.517 0.300 . 1 . . . . 42 TRP NE1 . 10136 1 477 . 1 1 43 43 LEU H H 1 9.114 0.030 . 1 . . . . 43 LEU H . 10136 1 478 . 1 1 43 43 LEU HA H 1 4.706 0.030 . 1 . . . . 43 LEU HA . 10136 1 479 . 1 1 43 43 LEU HB2 H 1 0.645 0.030 . 2 . . . . 43 LEU HB2 . 10136 1 480 . 1 1 43 43 LEU HB3 H 1 0.771 0.030 . 2 . . . . 43 LEU HB3 . 10136 1 481 . 1 1 43 43 LEU HG H 1 1.166 0.030 . 1 . . . . 43 LEU HG . 10136 1 482 . 1 1 43 43 LEU HD11 H 1 0.844 0.030 . 1 . . . . 43 LEU HD1 . 10136 1 483 . 1 1 43 43 LEU HD12 H 1 0.844 0.030 . 1 . . . . 43 LEU HD1 . 10136 1 484 . 1 1 43 43 LEU HD13 H 1 0.844 0.030 . 1 . . . . 43 LEU HD1 . 10136 1 485 . 1 1 43 43 LEU HD21 H 1 0.494 0.030 . 1 . . . . 43 LEU HD2 . 10136 1 486 . 1 1 43 43 LEU HD22 H 1 0.494 0.030 . 1 . . . . 43 LEU HD2 . 10136 1 487 . 1 1 43 43 LEU HD23 H 1 0.494 0.030 . 1 . . . . 43 LEU HD2 . 10136 1 488 . 1 1 43 43 LEU C C 13 172.052 0.300 . 1 . . . . 43 LEU C . 10136 1 489 . 1 1 43 43 LEU CA C 13 52.627 0.300 . 1 . . . . 43 LEU CA . 10136 1 490 . 1 1 43 43 LEU CB C 13 46.357 0.300 . 1 . . . . 43 LEU CB . 10136 1 491 . 1 1 43 43 LEU CG C 13 26.452 0.300 . 1 . . . . 43 LEU CG . 10136 1 492 . 1 1 43 43 LEU CD1 C 13 22.286 0.300 . 2 . . . . 43 LEU CD1 . 10136 1 493 . 1 1 43 43 LEU CD2 C 13 25.664 0.300 . 2 . . . . 43 LEU CD2 . 10136 1 494 . 1 1 43 43 LEU N N 15 123.558 0.300 . 1 . . . . 43 LEU N . 10136 1 495 . 1 1 44 44 TYR H H 1 8.614 0.030 . 1 . . . . 44 TYR H . 10136 1 496 . 1 1 44 44 TYR HA H 1 4.316 0.030 . 1 . . . . 44 TYR HA . 10136 1 497 . 1 1 44 44 TYR HB2 H 1 0.557 0.030 . 2 . . . . 44 TYR HB2 . 10136 1 498 . 1 1 44 44 TYR HB3 H 1 2.129 0.030 . 2 . . . . 44 TYR HB3 . 10136 1 499 . 1 1 44 44 TYR HD1 H 1 5.715 0.030 . 1 . . . . 44 TYR HD1 . 10136 1 500 . 1 1 44 44 TYR HD2 H 1 5.715 0.030 . 1 . . . . 44 TYR HD2 . 10136 1 501 . 1 1 44 44 TYR HE1 H 1 6.603 0.030 . 1 . . . . 44 TYR HE1 . 10136 1 502 . 1 1 44 44 TYR HE2 H 1 6.603 0.030 . 1 . . . . 44 TYR HE2 . 10136 1 503 . 1 1 44 44 TYR C C 13 175.367 0.300 . 1 . . . . 44 TYR C . 10136 1 504 . 1 1 44 44 TYR CA C 13 55.485 0.300 . 1 . . . . 44 TYR CA . 10136 1 505 . 1 1 44 44 TYR CB C 13 39.999 0.300 . 1 . . . . 44 TYR CB . 10136 1 506 . 1 1 44 44 TYR CD1 C 13 132.095 0.300 . 1 . . . . 44 TYR CD1 . 10136 1 507 . 1 1 44 44 TYR CD2 C 13 132.095 0.300 . 1 . . . . 44 TYR CD2 . 10136 1 508 . 1 1 44 44 TYR CE1 C 13 116.682 0.300 . 1 . . . . 44 TYR CE1 . 10136 1 509 . 1 1 44 44 TYR CE2 C 13 116.682 0.300 . 1 . . . . 44 TYR CE2 . 10136 1 510 . 1 1 44 44 TYR N N 15 121.752 0.300 . 1 . . . . 44 TYR N . 10136 1 511 . 1 1 45 45 GLY H H 1 7.795 0.030 . 1 . . . . 45 GLY H . 10136 1 512 . 1 1 45 45 GLY HA2 H 1 3.826 0.030 . 2 . . . . 45 GLY HA2 . 10136 1 513 . 1 1 45 45 GLY HA3 H 1 4.492 0.030 . 2 . . . . 45 GLY HA3 . 10136 1 514 . 1 1 45 45 GLY C C 13 169.369 0.300 . 1 . . . . 45 GLY C . 10136 1 515 . 1 1 45 45 GLY CA C 13 45.472 0.300 . 1 . . . . 45 GLY CA . 10136 1 516 . 1 1 45 45 GLY N N 15 112.242 0.300 . 1 . . . . 45 GLY N . 10136 1 517 . 1 1 46 46 SER H H 1 8.511 0.030 . 1 . . . . 46 SER H . 10136 1 518 . 1 1 46 46 SER HA H 1 5.234 0.030 . 1 . . . . 46 SER HA . 10136 1 519 . 1 1 46 46 SER HB2 H 1 3.009 0.030 . 2 . . . . 46 SER HB2 . 10136 1 520 . 1 1 46 46 SER HB3 H 1 3.147 0.030 . 2 . . . . 46 SER HB3 . 10136 1 521 . 1 1 46 46 SER C C 13 173.256 0.300 . 1 . . . . 46 SER C . 10136 1 522 . 1 1 46 46 SER CA C 13 55.201 0.300 . 1 . . . . 46 SER CA . 10136 1 523 . 1 1 46 46 SER CB C 13 66.100 0.300 . 1 . . . . 46 SER CB . 10136 1 524 . 1 1 46 46 SER N N 15 110.611 0.300 . 1 . . . . 46 SER N . 10136 1 525 . 1 1 47 47 PHE H H 1 8.318 0.030 . 1 . . . . 47 PHE H . 10136 1 526 . 1 1 47 47 PHE HA H 1 4.781 0.030 . 1 . . . . 47 PHE HA . 10136 1 527 . 1 1 47 47 PHE HB2 H 1 3.055 0.030 . 2 . . . . 47 PHE HB2 . 10136 1 528 . 1 1 47 47 PHE HB3 H 1 3.147 0.030 . 2 . . . . 47 PHE HB3 . 10136 1 529 . 1 1 47 47 PHE HD1 H 1 7.371 0.030 . 1 . . . . 47 PHE HD1 . 10136 1 530 . 1 1 47 47 PHE HD2 H 1 7.371 0.030 . 1 . . . . 47 PHE HD2 . 10136 1 531 . 1 1 47 47 PHE HE1 H 1 7.351 0.030 . 1 . . . . 47 PHE HE1 . 10136 1 532 . 1 1 47 47 PHE HE2 H 1 7.351 0.030 . 1 . . . . 47 PHE HE2 . 10136 1 533 . 1 1 47 47 PHE HZ H 1 7.212 0.030 . 1 . . . . 47 PHE HZ . 10136 1 534 . 1 1 47 47 PHE C C 13 174.352 0.300 . 1 . . . . 47 PHE C . 10136 1 535 . 1 1 47 47 PHE CA C 13 57.544 0.300 . 1 . . . . 47 PHE CA . 10136 1 536 . 1 1 47 47 PHE CB C 13 40.871 0.300 . 1 . . . . 47 PHE CB . 10136 1 537 . 1 1 47 47 PHE CD1 C 13 131.533 0.300 . 1 . . . . 47 PHE CD1 . 10136 1 538 . 1 1 47 47 PHE CD2 C 13 131.533 0.300 . 1 . . . . 47 PHE CD2 . 10136 1 539 . 1 1 47 47 PHE CE1 C 13 131.182 0.300 . 1 . . . . 47 PHE CE1 . 10136 1 540 . 1 1 47 47 PHE CE2 C 13 131.182 0.300 . 1 . . . . 47 PHE CE2 . 10136 1 541 . 1 1 47 47 PHE CZ C 13 130.005 0.300 . 1 . . . . 47 PHE CZ . 10136 1 542 . 1 1 47 47 PHE N N 15 123.021 0.300 . 1 . . . . 47 PHE N . 10136 1 543 . 1 1 48 48 GLN H H 1 9.167 0.030 . 1 . . . . 48 GLN H . 10136 1 544 . 1 1 48 48 GLN HA H 1 3.537 0.030 . 1 . . . . 48 GLN HA . 10136 1 545 . 1 1 48 48 GLN HB2 H 1 1.261 0.030 . 2 . . . . 48 GLN HB2 . 10136 1 546 . 1 1 48 48 GLN HB3 H 1 1.877 0.030 . 2 . . . . 48 GLN HB3 . 10136 1 547 . 1 1 48 48 GLN HG2 H 1 1.228 0.030 . 2 . . . . 48 GLN HG2 . 10136 1 548 . 1 1 48 48 GLN HG3 H 1 1.567 0.030 . 2 . . . . 48 GLN HG3 . 10136 1 549 . 1 1 48 48 GLN HE21 H 1 6.800 0.030 . 2 . . . . 48 GLN HE21 . 10136 1 550 . 1 1 48 48 GLN HE22 H 1 7.112 0.030 . 2 . . . . 48 GLN HE22 . 10136 1 551 . 1 1 48 48 GLN C C 13 175.048 0.300 . 1 . . . . 48 GLN C . 10136 1 552 . 1 1 48 48 GLN CA C 13 56.160 0.300 . 1 . . . . 48 GLN CA . 10136 1 553 . 1 1 48 48 GLN CB C 13 26.158 0.300 . 1 . . . . 48 GLN CB . 10136 1 554 . 1 1 48 48 GLN CG C 13 33.367 0.300 . 1 . . . . 48 GLN CG . 10136 1 555 . 1 1 48 48 GLN N N 15 127.318 0.300 . 1 . . . . 48 GLN N . 10136 1 556 . 1 1 48 48 GLN NE2 N 15 112.080 0.300 . 1 . . . . 48 GLN NE2 . 10136 1 557 . 1 1 49 49 GLY H H 1 8.468 0.030 . 1 . . . . 49 GLY H . 10136 1 558 . 1 1 49 49 GLY HA2 H 1 3.474 0.030 . 2 . . . . 49 GLY HA2 . 10136 1 559 . 1 1 49 49 GLY HA3 H 1 4.077 0.030 . 2 . . . . 49 GLY HA3 . 10136 1 560 . 1 1 49 49 GLY C C 13 172.986 0.300 . 1 . . . . 49 GLY C . 10136 1 561 . 1 1 49 49 GLY CA C 13 44.904 0.300 . 1 . . . . 49 GLY CA . 10136 1 562 . 1 1 49 49 GLY N N 15 104.741 0.300 . 1 . . . . 49 GLY N . 10136 1 563 . 1 1 50 50 ASN H H 1 7.844 0.030 . 1 . . . . 50 ASN H . 10136 1 564 . 1 1 50 50 ASN HA H 1 5.045 0.030 . 1 . . . . 50 ASN HA . 10136 1 565 . 1 1 50 50 ASN HB2 H 1 2.775 0.030 . 2 . . . . 50 ASN HB2 . 10136 1 566 . 1 1 50 50 ASN HB3 H 1 2.896 0.030 . 2 . . . . 50 ASN HB3 . 10136 1 567 . 1 1 50 50 ASN HD21 H 1 7.012 0.030 . 2 . . . . 50 ASN HD21 . 10136 1 568 . 1 1 50 50 ASN HD22 H 1 7.549 0.030 . 2 . . . . 50 ASN HD22 . 10136 1 569 . 1 1 50 50 ASN C C 13 173.085 0.300 . 1 . . . . 50 ASN C . 10136 1 570 . 1 1 50 50 ASN CA C 13 51.543 0.300 . 1 . . . . 50 ASN CA . 10136 1 571 . 1 1 50 50 ASN CB C 13 40.414 0.300 . 1 . . . . 50 ASN CB . 10136 1 572 . 1 1 50 50 ASN N N 15 119.030 0.300 . 1 . . . . 50 ASN N . 10136 1 573 . 1 1 50 50 ASN ND2 N 15 115.517 0.300 . 1 . . . . 50 ASN ND2 . 10136 1 574 . 1 1 51 51 PHE H H 1 8.575 0.030 . 1 . . . . 51 PHE H . 10136 1 575 . 1 1 51 51 PHE HA H 1 5.473 0.030 . 1 . . . . 51 PHE HA . 10136 1 576 . 1 1 51 51 PHE HB2 H 1 2.803 0.030 . 2 . . . . 51 PHE HB2 . 10136 1 577 . 1 1 51 51 PHE HB3 H 1 2.899 0.030 . 2 . . . . 51 PHE HB3 . 10136 1 578 . 1 1 51 51 PHE HD1 H 1 7.074 0.030 . 1 . . . . 51 PHE HD1 . 10136 1 579 . 1 1 51 51 PHE HD2 H 1 7.074 0.030 . 1 . . . . 51 PHE HD2 . 10136 1 580 . 1 1 51 51 PHE HE1 H 1 7.278 0.030 . 1 . . . . 51 PHE HE1 . 10136 1 581 . 1 1 51 51 PHE HE2 H 1 7.278 0.030 . 1 . . . . 51 PHE HE2 . 10136 1 582 . 1 1 51 51 PHE HZ H 1 7.255 0.030 . 1 . . . . 51 PHE HZ . 10136 1 583 . 1 1 51 51 PHE C C 13 176.493 0.300 . 1 . . . . 51 PHE C . 10136 1 584 . 1 1 51 51 PHE CA C 13 56.265 0.300 . 1 . . . . 51 PHE CA . 10136 1 585 . 1 1 51 51 PHE CB C 13 42.326 0.300 . 1 . . . . 51 PHE CB . 10136 1 586 . 1 1 51 51 PHE CD1 C 13 131.983 0.300 . 1 . . . . 51 PHE CD1 . 10136 1 587 . 1 1 51 51 PHE CD2 C 13 131.983 0.300 . 1 . . . . 51 PHE CD2 . 10136 1 588 . 1 1 51 51 PHE CE1 C 13 130.633 0.300 . 1 . . . . 51 PHE CE1 . 10136 1 589 . 1 1 51 51 PHE CE2 C 13 130.633 0.300 . 1 . . . . 51 PHE CE2 . 10136 1 590 . 1 1 51 51 PHE CZ C 13 129.058 0.300 . 1 . . . . 51 PHE CZ . 10136 1 591 . 1 1 51 51 PHE N N 15 118.937 0.300 . 1 . . . . 51 PHE N . 10136 1 592 . 1 1 52 52 GLY H H 1 8.132 0.030 . 1 . . . . 52 GLY H . 10136 1 593 . 1 1 52 52 GLY HA2 H 1 4.014 0.030 . 2 . . . . 52 GLY HA2 . 10136 1 594 . 1 1 52 52 GLY HA3 H 1 4.228 0.030 . 2 . . . . 52 GLY HA3 . 10136 1 595 . 1 1 52 52 GLY C C 13 170.107 0.300 . 1 . . . . 52 GLY C . 10136 1 596 . 1 1 52 52 GLY CA C 13 45.187 0.300 . 1 . . . . 52 GLY CA . 10136 1 597 . 1 1 52 52 GLY N N 15 106.351 0.300 . 1 . . . . 52 GLY N . 10136 1 598 . 1 1 53 53 TRP H H 1 8.893 0.030 . 1 . . . . 53 TRP H . 10136 1 599 . 1 1 53 53 TRP HA H 1 5.837 0.030 . 1 . . . . 53 TRP HA . 10136 1 600 . 1 1 53 53 TRP HB2 H 1 3.097 0.030 . 2 . . . . 53 TRP HB2 . 10136 1 601 . 1 1 53 53 TRP HB3 H 1 3.549 0.030 . 2 . . . . 53 TRP HB3 . 10136 1 602 . 1 1 53 53 TRP HD1 H 1 7.709 0.030 . 1 . . . . 53 TRP HD1 . 10136 1 603 . 1 1 53 53 TRP HE1 H 1 10.246 0.030 . 1 . . . . 53 TRP HE1 . 10136 1 604 . 1 1 53 53 TRP HE3 H 1 7.606 0.030 . 1 . . . . 53 TRP HE3 . 10136 1 605 . 1 1 53 53 TRP HZ2 H 1 7.152 0.030 . 1 . . . . 53 TRP HZ2 . 10136 1 606 . 1 1 53 53 TRP HZ3 H 1 6.911 0.030 . 1 . . . . 53 TRP HZ3 . 10136 1 607 . 1 1 53 53 TRP HH2 H 1 6.702 0.030 . 1 . . . . 53 TRP HH2 . 10136 1 608 . 1 1 53 53 TRP C C 13 177.205 0.300 . 1 . . . . 53 TRP C . 10136 1 609 . 1 1 53 53 TRP CA C 13 56.372 0.300 . 1 . . . . 53 TRP CA . 10136 1 610 . 1 1 53 53 TRP CB C 13 31.645 0.300 . 1 . . . . 53 TRP CB . 10136 1 611 . 1 1 53 53 TRP CD1 C 13 128.158 0.300 . 1 . . . . 53 TRP CD1 . 10136 1 612 . 1 1 53 53 TRP CE3 C 13 120.620 0.300 . 1 . . . . 53 TRP CE3 . 10136 1 613 . 1 1 53 53 TRP CZ2 C 13 114.769 0.300 . 1 . . . . 53 TRP CZ2 . 10136 1 614 . 1 1 53 53 TRP CZ3 C 13 120.732 0.300 . 1 . . . . 53 TRP CZ3 . 10136 1 615 . 1 1 53 53 TRP CH2 C 13 123.995 0.300 . 1 . . . . 53 TRP CH2 . 10136 1 616 . 1 1 53 53 TRP N N 15 119.211 0.300 . 1 . . . . 53 TRP N . 10136 1 617 . 1 1 53 53 TRP NE1 N 15 131.063 0.300 . 1 . . . . 53 TRP NE1 . 10136 1 618 . 1 1 54 54 PHE H H 1 9.113 0.030 . 1 . . . . 54 PHE H . 10136 1 619 . 1 1 54 54 PHE HA H 1 4.254 0.030 . 1 . . . . 54 PHE HA . 10136 1 620 . 1 1 54 54 PHE HB2 H 1 2.353 0.030 . 2 . . . . 54 PHE HB2 . 10136 1 621 . 1 1 54 54 PHE HB3 H 1 3.300 0.030 . 2 . . . . 54 PHE HB3 . 10136 1 622 . 1 1 54 54 PHE HD1 H 1 6.907 0.030 . 1 . . . . 54 PHE HD1 . 10136 1 623 . 1 1 54 54 PHE HD2 H 1 6.907 0.030 . 1 . . . . 54 PHE HD2 . 10136 1 624 . 1 1 54 54 PHE HE1 H 1 6.623 0.030 . 1 . . . . 54 PHE HE1 . 10136 1 625 . 1 1 54 54 PHE HE2 H 1 6.623 0.030 . 1 . . . . 54 PHE HE2 . 10136 1 626 . 1 1 54 54 PHE HZ H 1 6.428 0.030 . 1 . . . . 54 PHE HZ . 10136 1 627 . 1 1 54 54 PHE C C 13 170.907 0.300 . 1 . . . . 54 PHE C . 10136 1 628 . 1 1 54 54 PHE CA C 13 55.494 0.300 . 1 . . . . 54 PHE CA . 10136 1 629 . 1 1 54 54 PHE CB C 13 37.960 0.300 . 1 . . . . 54 PHE CB . 10136 1 630 . 1 1 54 54 PHE CD1 C 13 132.883 0.300 . 1 . . . . 54 PHE CD1 . 10136 1 631 . 1 1 54 54 PHE CD2 C 13 132.883 0.300 . 1 . . . . 54 PHE CD2 . 10136 1 632 . 1 1 54 54 PHE CE1 C 13 129.733 0.300 . 1 . . . . 54 PHE CE1 . 10136 1 633 . 1 1 54 54 PHE CE2 C 13 129.733 0.300 . 1 . . . . 54 PHE CE2 . 10136 1 634 . 1 1 54 54 PHE CZ C 13 127.708 0.300 . 1 . . . . 54 PHE CZ . 10136 1 635 . 1 1 54 54 PHE N N 15 116.382 0.300 . 1 . . . . 54 PHE N . 10136 1 636 . 1 1 55 55 PRO HA H 1 3.687 0.030 . 1 . . . . 55 PRO HA . 10136 1 637 . 1 1 55 55 PRO HB2 H 1 1.456 0.030 . 2 . . . . 55 PRO HB2 . 10136 1 638 . 1 1 55 55 PRO HB3 H 1 1.602 0.030 . 2 . . . . 55 PRO HB3 . 10136 1 639 . 1 1 55 55 PRO HG2 H 1 0.335 0.030 . 2 . . . . 55 PRO HG2 . 10136 1 640 . 1 1 55 55 PRO HG3 H 1 0.981 0.030 . 2 . . . . 55 PRO HG3 . 10136 1 641 . 1 1 55 55 PRO HD2 H 1 1.973 0.030 . 2 . . . . 55 PRO HD2 . 10136 1 642 . 1 1 55 55 PRO HD3 H 1 2.133 0.030 . 2 . . . . 55 PRO HD3 . 10136 1 643 . 1 1 55 55 PRO C C 13 178.411 0.300 . 1 . . . . 55 PRO C . 10136 1 644 . 1 1 55 55 PRO CA C 13 61.473 0.300 . 1 . . . . 55 PRO CA . 10136 1 645 . 1 1 55 55 PRO CB C 13 30.727 0.300 . 1 . . . . 55 PRO CB . 10136 1 646 . 1 1 55 55 PRO CG C 13 26.952 0.300 . 1 . . . . 55 PRO CG . 10136 1 647 . 1 1 55 55 PRO CD C 13 49.529 0.300 . 1 . . . . 55 PRO CD . 10136 1 648 . 1 1 56 56 CYS H H 1 8.436 0.030 . 1 . . . . 56 CYS H . 10136 1 649 . 1 1 56 56 CYS HA H 1 3.939 0.030 . 1 . . . . 56 CYS HA . 10136 1 650 . 1 1 56 56 CYS HB2 H 1 2.581 0.030 . 2 . . . . 56 CYS HB2 . 10136 1 651 . 1 1 56 56 CYS HB3 H 1 2.933 0.030 . 2 . . . . 56 CYS HB3 . 10136 1 652 . 1 1 56 56 CYS C C 13 174.524 0.300 . 1 . . . . 56 CYS C . 10136 1 653 . 1 1 56 56 CYS CA C 13 59.994 0.300 . 1 . . . . 56 CYS CA . 10136 1 654 . 1 1 56 56 CYS CB C 13 26.823 0.300 . 1 . . . . 56 CYS CB . 10136 1 655 . 1 1 56 56 CYS N N 15 120.125 0.300 . 1 . . . . 56 CYS N . 10136 1 656 . 1 1 57 57 ASN H H 1 8.389 0.030 . 1 . . . . 57 ASN H . 10136 1 657 . 1 1 57 57 ASN HA H 1 4.806 0.030 . 1 . . . . 57 ASN HA . 10136 1 658 . 1 1 57 57 ASN HB2 H 1 2.807 0.030 . 2 . . . . 57 ASN HB2 . 10136 1 659 . 1 1 57 57 ASN HB3 H 1 2.971 0.030 . 2 . . . . 57 ASN HB3 . 10136 1 660 . 1 1 57 57 ASN HD21 H 1 6.687 0.030 . 2 . . . . 57 ASN HD21 . 10136 1 661 . 1 1 57 57 ASN HD22 H 1 7.549 0.030 . 2 . . . . 57 ASN HD22 . 10136 1 662 . 1 1 57 57 ASN C C 13 174.659 0.300 . 1 . . . . 57 ASN C . 10136 1 663 . 1 1 57 57 ASN CA C 13 53.514 0.300 . 1 . . . . 57 ASN CA . 10136 1 664 . 1 1 57 57 ASN CB C 13 36.174 0.300 . 1 . . . . 57 ASN CB . 10136 1 665 . 1 1 57 57 ASN N N 15 114.676 0.300 . 1 . . . . 57 ASN N . 10136 1 666 . 1 1 57 57 ASN ND2 N 15 112.939 0.300 . 1 . . . . 57 ASN ND2 . 10136 1 667 . 1 1 58 58 TYR H H 1 7.829 0.030 . 1 . . . . 58 TYR H . 10136 1 668 . 1 1 58 58 TYR HA H 1 4.643 0.030 . 1 . . . . 58 TYR HA . 10136 1 669 . 1 1 58 58 TYR HB2 H 1 3.310 0.030 . 2 . . . . 58 TYR HB2 . 10136 1 670 . 1 1 58 58 TYR HB3 H 1 3.650 0.030 . 2 . . . . 58 TYR HB3 . 10136 1 671 . 1 1 58 58 TYR HD1 H 1 7.190 0.030 . 1 . . . . 58 TYR HD1 . 10136 1 672 . 1 1 58 58 TYR HD2 H 1 7.190 0.030 . 1 . . . . 58 TYR HD2 . 10136 1 673 . 1 1 58 58 TYR HE1 H 1 7.016 0.030 . 1 . . . . 58 TYR HE1 . 10136 1 674 . 1 1 58 58 TYR HE2 H 1 7.016 0.030 . 1 . . . . 58 TYR HE2 . 10136 1 675 . 1 1 58 58 TYR C C 13 175.171 0.300 . 1 . . . . 58 TYR C . 10136 1 676 . 1 1 58 58 TYR CA C 13 59.082 0.300 . 1 . . . . 58 TYR CA . 10136 1 677 . 1 1 58 58 TYR CB C 13 38.335 0.300 . 1 . . . . 58 TYR CB . 10136 1 678 . 1 1 58 58 TYR CD1 C 13 132.095 0.300 . 1 . . . . 58 TYR CD1 . 10136 1 679 . 1 1 58 58 TYR CD2 C 13 132.095 0.300 . 1 . . . . 58 TYR CD2 . 10136 1 680 . 1 1 58 58 TYR CE1 C 13 118.032 0.300 . 1 . . . . 58 TYR CE1 . 10136 1 681 . 1 1 58 58 TYR CE2 C 13 118.032 0.300 . 1 . . . . 58 TYR CE2 . 10136 1 682 . 1 1 58 58 TYR N N 15 118.265 0.300 . 1 . . . . 58 TYR N . 10136 1 683 . 1 1 59 59 VAL H H 1 7.538 0.030 . 1 . . . . 59 VAL H . 10136 1 684 . 1 1 59 59 VAL HA H 1 5.359 0.030 . 1 . . . . 59 VAL HA . 10136 1 685 . 1 1 59 59 VAL HB H 1 1.952 0.030 . 1 . . . . 59 VAL HB . 10136 1 686 . 1 1 59 59 VAL HG11 H 1 0.898 0.030 . 1 . . . . 59 VAL HG1 . 10136 1 687 . 1 1 59 59 VAL HG12 H 1 0.898 0.030 . 1 . . . . 59 VAL HG1 . 10136 1 688 . 1 1 59 59 VAL HG13 H 1 0.898 0.030 . 1 . . . . 59 VAL HG1 . 10136 1 689 . 1 1 59 59 VAL HG21 H 1 0.343 0.030 . 1 . . . . 59 VAL HG2 . 10136 1 690 . 1 1 59 59 VAL HG22 H 1 0.343 0.030 . 1 . . . . 59 VAL HG2 . 10136 1 691 . 1 1 59 59 VAL HG23 H 1 0.343 0.030 . 1 . . . . 59 VAL HG2 . 10136 1 692 . 1 1 59 59 VAL C C 13 173.343 0.300 . 1 . . . . 59 VAL C . 10136 1 693 . 1 1 59 59 VAL CA C 13 58.201 0.300 . 1 . . . . 59 VAL CA . 10136 1 694 . 1 1 59 59 VAL CB C 13 36.690 0.300 . 1 . . . . 59 VAL CB . 10136 1 695 . 1 1 59 59 VAL CG1 C 13 19.814 0.300 . 2 . . . . 59 VAL CG1 . 10136 1 696 . 1 1 59 59 VAL CG2 C 13 21.370 0.300 . 2 . . . . 59 VAL CG2 . 10136 1 697 . 1 1 59 59 VAL N N 15 109.330 0.300 . 1 . . . . 59 VAL N . 10136 1 698 . 1 1 60 60 GLU H H 1 8.737 0.030 . 1 . . . . 60 GLU H . 10136 1 699 . 1 1 60 60 GLU HA H 1 4.819 0.030 . 1 . . . . 60 GLU HA . 10136 1 700 . 1 1 60 60 GLU HB2 H 1 1.890 0.030 . 1 . . . . 60 GLU HB2 . 10136 1 701 . 1 1 60 60 GLU HB3 H 1 1.890 0.030 . 1 . . . . 60 GLU HB3 . 10136 1 702 . 1 1 60 60 GLU HG2 H 1 2.134 0.030 . 2 . . . . 60 GLU HG2 . 10136 1 703 . 1 1 60 60 GLU HG3 H 1 2.188 0.030 . 2 . . . . 60 GLU HG3 . 10136 1 704 . 1 1 60 60 GLU C C 13 174.241 0.300 . 1 . . . . 60 GLU C . 10136 1 705 . 1 1 60 60 GLU CA C 13 53.505 0.300 . 1 . . . . 60 GLU CA . 10136 1 706 . 1 1 60 60 GLU CB C 13 33.140 0.300 . 1 . . . . 60 GLU CB . 10136 1 707 . 1 1 60 60 GLU CG C 13 35.366 0.300 . 1 . . . . 60 GLU CG . 10136 1 708 . 1 1 60 60 GLU N N 15 118.313 0.300 . 1 . . . . 60 GLU N . 10136 1 709 . 1 1 61 61 LYS H H 1 8.810 0.030 . 1 . . . . 61 LYS H . 10136 1 710 . 1 1 61 61 LYS HA H 1 3.034 0.030 . 1 . . . . 61 LYS HA . 10136 1 711 . 1 1 61 61 LYS HB2 H 1 1.173 0.030 . 2 . . . . 61 LYS HB2 . 10136 1 712 . 1 1 61 61 LYS HB3 H 1 1.475 0.030 . 2 . . . . 61 LYS HB3 . 10136 1 713 . 1 1 61 61 LYS HG2 H 1 0.673 0.030 . 2 . . . . 61 LYS HG2 . 10136 1 714 . 1 1 61 61 LYS HG3 H 1 1.138 0.030 . 2 . . . . 61 LYS HG3 . 10136 1 715 . 1 1 61 61 LYS HD2 H 1 1.489 0.030 . 1 . . . . 61 LYS HD2 . 10136 1 716 . 1 1 61 61 LYS HD3 H 1 1.489 0.030 . 1 . . . . 61 LYS HD3 . 10136 1 717 . 1 1 61 61 LYS HE2 H 1 2.894 0.030 . 2 . . . . 61 LYS HE2 . 10136 1 718 . 1 1 61 61 LYS HE3 H 1 2.976 0.030 . 2 . . . . 61 LYS HE3 . 10136 1 719 . 1 1 61 61 LYS C C 13 176.308 0.300 . 1 . . . . 61 LYS C . 10136 1 720 . 1 1 61 61 LYS CA C 13 57.509 0.300 . 1 . . . . 61 LYS CA . 10136 1 721 . 1 1 61 61 LYS CB C 13 32.268 0.300 . 1 . . . . 61 LYS CB . 10136 1 722 . 1 1 61 61 LYS CG C 13 25.036 0.300 . 1 . . . . 61 LYS CG . 10136 1 723 . 1 1 61 61 LYS CD C 13 28.868 0.300 . 1 . . . . 61 LYS CD . 10136 1 724 . 1 1 61 61 LYS CE C 13 41.948 0.300 . 1 . . . . 61 LYS CE . 10136 1 725 . 1 1 61 61 LYS N N 15 128.177 0.300 . 1 . . . . 61 LYS N . 10136 1 726 . 1 1 62 62 MET H H 1 8.015 0.030 . 1 . . . . 62 MET H . 10136 1 727 . 1 1 62 62 MET HA H 1 4.551 0.030 . 1 . . . . 62 MET HA . 10136 1 728 . 1 1 62 62 MET HB2 H 1 1.738 0.030 . 2 . . . . 62 MET HB2 . 10136 1 729 . 1 1 62 62 MET HB3 H 1 2.327 0.030 . 2 . . . . 62 MET HB3 . 10136 1 730 . 1 1 62 62 MET HG2 H 1 1.742 0.030 . 2 . . . . 62 MET HG2 . 10136 1 731 . 1 1 62 62 MET HG3 H 1 2.014 0.030 . 2 . . . . 62 MET HG3 . 10136 1 732 . 1 1 62 62 MET HE1 H 1 2.017 0.030 . 1 . . . . 62 MET HE . 10136 1 733 . 1 1 62 62 MET HE2 H 1 2.017 0.030 . 1 . . . . 62 MET HE . 10136 1 734 . 1 1 62 62 MET HE3 H 1 2.017 0.030 . 1 . . . . 62 MET HE . 10136 1 735 . 1 1 62 62 MET C C 13 173.958 0.300 . 1 . . . . 62 MET C . 10136 1 736 . 1 1 62 62 MET CA C 13 53.505 0.300 . 1 . . . . 62 MET CA . 10136 1 737 . 1 1 62 62 MET CB C 13 31.745 0.300 . 1 . . . . 62 MET CB . 10136 1 738 . 1 1 62 62 MET CG C 13 31.739 0.300 . 1 . . . . 62 MET CG . 10136 1 739 . 1 1 62 62 MET CE C 13 16.213 0.300 . 1 . . . . 62 MET CE . 10136 1 740 . 1 1 62 62 MET N N 15 126.159 0.300 . 1 . . . . 62 MET N . 10136 1 741 . 1 1 63 63 PRO HA H 1 4.429 0.030 . 1 . . . . 63 PRO HA . 10136 1 742 . 1 1 63 63 PRO HB2 H 1 1.890 0.030 . 2 . . . . 63 PRO HB2 . 10136 1 743 . 1 1 63 63 PRO HB3 H 1 2.279 0.030 . 2 . . . . 63 PRO HB3 . 10136 1 744 . 1 1 63 63 PRO HG2 H 1 2.004 0.030 . 1 . . . . 63 PRO HG2 . 10136 1 745 . 1 1 63 63 PRO HG3 H 1 2.004 0.030 . 1 . . . . 63 PRO HG3 . 10136 1 746 . 1 1 63 63 PRO HD2 H 1 3.609 0.030 . 2 . . . . 63 PRO HD2 . 10136 1 747 . 1 1 63 63 PRO HD3 H 1 3.823 0.030 . 2 . . . . 63 PRO HD3 . 10136 1 748 . 1 1 63 63 PRO C C 13 176.443 0.300 . 1 . . . . 63 PRO C . 10136 1 749 . 1 1 63 63 PRO CA C 13 62.466 0.300 . 1 . . . . 63 PRO CA . 10136 1 750 . 1 1 63 63 PRO CB C 13 31.820 0.300 . 1 . . . . 63 PRO CB . 10136 1 751 . 1 1 63 63 PRO CG C 13 26.868 0.300 . 1 . . . . 63 PRO CG . 10136 1 752 . 1 1 63 63 PRO CD C 13 50.112 0.300 . 1 . . . . 63 PRO CD . 10136 1 753 . 1 1 64 64 SER H H 1 8.555 0.030 . 1 . . . . 64 SER H . 10136 1 754 . 1 1 64 64 SER HA H 1 4.454 0.030 . 1 . . . . 64 SER HA . 10136 1 755 . 1 1 64 64 SER HB2 H 1 3.901 0.030 . 1 . . . . 64 SER HB2 . 10136 1 756 . 1 1 64 64 SER HB3 H 1 3.901 0.030 . 1 . . . . 64 SER HB3 . 10136 1 757 . 1 1 64 64 SER C C 13 174.877 0.300 . 1 . . . . 64 SER C . 10136 1 758 . 1 1 64 64 SER CA C 13 58.112 0.300 . 1 . . . . 64 SER CA . 10136 1 759 . 1 1 64 64 SER CB C 13 63.481 0.300 . 1 . . . . 64 SER CB . 10136 1 760 . 1 1 64 64 SER N N 15 117.280 0.300 . 1 . . . . 64 SER N . 10136 1 761 . 1 1 65 65 SER H H 1 8.428 0.030 . 1 . . . . 65 SER H . 10136 1 762 . 1 1 65 65 SER HA H 1 4.454 0.030 . 1 . . . . 65 SER HA . 10136 1 763 . 1 1 65 65 SER HB2 H 1 3.889 0.030 . 1 . . . . 65 SER HB2 . 10136 1 764 . 1 1 65 65 SER HB3 H 1 3.889 0.030 . 1 . . . . 65 SER HB3 . 10136 1 765 . 1 1 65 65 SER C C 13 174.426 0.300 . 1 . . . . 65 SER C . 10136 1 766 . 1 1 65 65 SER CA C 13 58.148 0.300 . 1 . . . . 65 SER CA . 10136 1 767 . 1 1 65 65 SER CB C 13 63.372 0.300 . 1 . . . . 65 SER CB . 10136 1 768 . 1 1 65 65 SER N N 15 118.032 0.300 . 1 . . . . 65 SER N . 10136 1 769 . 1 1 66 66 GLU H H 1 8.477 0.030 . 1 . . . . 66 GLU H . 10136 1 770 . 1 1 66 66 GLU HA H 1 4.266 0.030 . 1 . . . . 66 GLU HA . 10136 1 771 . 1 1 66 66 GLU HB2 H 1 1.909 0.030 . 1 . . . . 66 GLU HB2 . 10136 1 772 . 1 1 66 66 GLU HB3 H 1 1.909 0.030 . 1 . . . . 66 GLU HB3 . 10136 1 773 . 1 1 66 66 GLU HG2 H 1 2.251 0.030 . 1 . . . . 66 GLU HG2 . 10136 1 774 . 1 1 66 66 GLU HG3 H 1 2.251 0.030 . 1 . . . . 66 GLU HG3 . 10136 1 775 . 1 1 66 66 GLU C C 13 176.098 0.300 . 1 . . . . 66 GLU C . 10136 1 776 . 1 1 66 66 GLU CA C 13 56.639 0.300 . 1 . . . . 66 GLU CA . 10136 1 777 . 1 1 66 66 GLU CB C 13 29.524 0.300 . 1 . . . . 66 GLU CB . 10136 1 778 . 1 1 66 66 GLU CG C 13 35.699 0.300 . 1 . . . . 66 GLU CG . 10136 1 779 . 1 1 66 66 GLU N N 15 122.554 0.300 . 1 . . . . 66 GLU N . 10136 1 780 . 1 1 67 67 ASN H H 1 8.339 0.030 . 1 . . . . 67 ASN H . 10136 1 781 . 1 1 67 67 ASN HA H 1 4.655 0.030 . 1 . . . . 67 ASN HA . 10136 1 782 . 1 1 67 67 ASN HB2 H 1 2.723 0.030 . 2 . . . . 67 ASN HB2 . 10136 1 783 . 1 1 67 67 ASN HB3 H 1 2.837 0.030 . 2 . . . . 67 ASN HB3 . 10136 1 784 . 1 1 67 67 ASN HD21 H 1 6.937 0.030 . 2 . . . . 67 ASN HD21 . 10136 1 785 . 1 1 67 67 ASN HD22 H 1 7.612 0.030 . 2 . . . . 67 ASN HD22 . 10136 1 786 . 1 1 67 67 ASN C C 13 174.979 0.300 . 1 . . . . 67 ASN C . 10136 1 787 . 1 1 67 67 ASN CA C 13 53.159 0.300 . 1 . . . . 67 ASN CA . 10136 1 788 . 1 1 67 67 ASN CB C 13 38.585 0.300 . 1 . . . . 67 ASN CB . 10136 1 789 . 1 1 67 67 ASN N N 15 119.103 0.300 . 1 . . . . 67 ASN N . 10136 1 790 . 1 1 67 67 ASN ND2 N 15 113.330 0.300 . 1 . . . . 67 ASN ND2 . 10136 1 791 . 1 1 68 68 GLU H H 1 8.265 0.030 . 1 . . . . 68 GLU H . 10136 1 792 . 1 1 68 68 GLU HA H 1 4.228 0.030 . 1 . . . . 68 GLU HA . 10136 1 793 . 1 1 68 68 GLU HB2 H 1 1.956 0.030 . 2 . . . . 68 GLU HB2 . 10136 1 794 . 1 1 68 68 GLU HB3 H 1 2.047 0.030 . 2 . . . . 68 GLU HB3 . 10136 1 795 . 1 1 68 68 GLU HG2 H 1 2.238 0.030 . 1 . . . . 68 GLU HG2 . 10136 1 796 . 1 1 68 68 GLU HG3 H 1 2.238 0.030 . 1 . . . . 68 GLU HG3 . 10136 1 797 . 1 1 68 68 GLU C C 13 176.098 0.300 . 1 . . . . 68 GLU C . 10136 1 798 . 1 1 68 68 GLU CA C 13 56.585 0.300 . 1 . . . . 68 GLU CA . 10136 1 799 . 1 1 68 68 GLU CB C 13 29.732 0.300 . 1 . . . . 68 GLU CB . 10136 1 800 . 1 1 68 68 GLU CG C 13 35.783 0.300 . 1 . . . . 68 GLU CG . 10136 1 801 . 1 1 68 68 GLU N N 15 121.438 0.300 . 1 . . . . 68 GLU N . 10136 1 802 . 1 1 69 69 LYS H H 1 8.190 0.030 . 1 . . . . 69 LYS H . 10136 1 803 . 1 1 69 69 LYS HA H 1 4.253 0.030 . 1 . . . . 69 LYS HA . 10136 1 804 . 1 1 69 69 LYS HB2 H 1 1.732 0.030 . 2 . . . . 69 LYS HB2 . 10136 1 805 . 1 1 69 69 LYS HB3 H 1 1.822 0.030 . 2 . . . . 69 LYS HB3 . 10136 1 806 . 1 1 69 69 LYS HG2 H 1 1.422 0.030 . 1 . . . . 69 LYS HG2 . 10136 1 807 . 1 1 69 69 LYS HG3 H 1 1.422 0.030 . 1 . . . . 69 LYS HG3 . 10136 1 808 . 1 1 69 69 LYS HE2 H 1 2.992 0.030 . 1 . . . . 69 LYS HE2 . 10136 1 809 . 1 1 69 69 LYS HE3 H 1 2.992 0.030 . 1 . . . . 69 LYS HE3 . 10136 1 810 . 1 1 69 69 LYS C C 13 175.890 0.300 . 1 . . . . 69 LYS C . 10136 1 811 . 1 1 69 69 LYS CA C 13 55.857 0.300 . 1 . . . . 69 LYS CA . 10136 1 812 . 1 1 69 69 LYS CB C 13 32.475 0.300 . 1 . . . . 69 LYS CB . 10136 1 813 . 1 1 69 69 LYS CG C 13 24.369 0.300 . 1 . . . . 69 LYS CG . 10136 1 814 . 1 1 69 69 LYS CD C 13 28.535 0.300 . 1 . . . . 69 LYS CD . 10136 1 815 . 1 1 69 69 LYS CE C 13 41.698 0.300 . 1 . . . . 69 LYS CE . 10136 1 816 . 1 1 69 69 LYS N N 15 121.925 0.300 . 1 . . . . 69 LYS N . 10136 1 817 . 1 1 70 70 ALA H H 1 8.166 0.030 . 1 . . . . 70 ALA H . 10136 1 818 . 1 1 70 70 ALA HA H 1 4.329 0.030 . 1 . . . . 70 ALA HA . 10136 1 819 . 1 1 70 70 ALA HB1 H 1 1.362 0.030 . 1 . . . . 70 ALA HB . 10136 1 820 . 1 1 70 70 ALA HB2 H 1 1.362 0.030 . 1 . . . . 70 ALA HB . 10136 1 821 . 1 1 70 70 ALA HB3 H 1 1.362 0.030 . 1 . . . . 70 ALA HB . 10136 1 822 . 1 1 70 70 ALA C C 13 177.193 0.300 . 1 . . . . 70 ALA C . 10136 1 823 . 1 1 70 70 ALA CA C 13 52.005 0.300 . 1 . . . . 70 ALA CA . 10136 1 824 . 1 1 70 70 ALA CB C 13 18.844 0.300 . 1 . . . . 70 ALA CB . 10136 1 825 . 1 1 70 70 ALA N N 15 125.263 0.300 . 1 . . . . 70 ALA N . 10136 1 826 . 1 1 71 71 VAL H H 1 8.105 0.030 . 1 . . . . 71 VAL H . 10136 1 827 . 1 1 71 71 VAL HA H 1 4.127 0.030 . 1 . . . . 71 VAL HA . 10136 1 828 . 1 1 71 71 VAL HB H 1 2.041 0.030 . 1 . . . . 71 VAL HB . 10136 1 829 . 1 1 71 71 VAL HG11 H 1 0.919 0.030 . 1 . . . . 71 VAL HG1 . 10136 1 830 . 1 1 71 71 VAL HG12 H 1 0.919 0.030 . 1 . . . . 71 VAL HG1 . 10136 1 831 . 1 1 71 71 VAL HG13 H 1 0.919 0.030 . 1 . . . . 71 VAL HG1 . 10136 1 832 . 1 1 71 71 VAL HG21 H 1 0.912 0.030 . 1 . . . . 71 VAL HG2 . 10136 1 833 . 1 1 71 71 VAL HG22 H 1 0.912 0.030 . 1 . . . . 71 VAL HG2 . 10136 1 834 . 1 1 71 71 VAL HG23 H 1 0.912 0.030 . 1 . . . . 71 VAL HG2 . 10136 1 835 . 1 1 71 71 VAL C C 13 176.101 0.300 . 1 . . . . 71 VAL C . 10136 1 836 . 1 1 71 71 VAL CA C 13 61.592 0.300 . 1 . . . . 71 VAL CA . 10136 1 837 . 1 1 71 71 VAL CB C 13 32.393 0.300 . 1 . . . . 71 VAL CB . 10136 1 838 . 1 1 71 71 VAL CG1 C 13 19.954 0.300 . 2 . . . . 71 VAL CG1 . 10136 1 839 . 1 1 71 71 VAL CG2 C 13 20.537 0.300 . 2 . . . . 71 VAL CG2 . 10136 1 840 . 1 1 71 71 VAL N N 15 119.814 0.300 . 1 . . . . 71 VAL N . 10136 1 841 . 1 1 72 72 SER H H 1 8.400 0.030 . 1 . . . . 72 SER H . 10136 1 842 . 1 1 72 72 SER HA H 1 4.776 0.030 . 1 . . . . 72 SER HA . 10136 1 843 . 1 1 72 72 SER HB2 H 1 3.814 0.030 . 1 . . . . 72 SER HB2 . 10136 1 844 . 1 1 72 72 SER HB3 H 1 3.814 0.030 . 1 . . . . 72 SER HB3 . 10136 1 845 . 1 1 72 72 SER C C 13 172.334 0.300 . 1 . . . . 72 SER C . 10136 1 846 . 1 1 72 72 SER CA C 13 55.814 0.300 . 1 . . . . 72 SER CA . 10136 1 847 . 1 1 72 72 SER CB C 13 62.925 0.300 . 1 . . . . 72 SER CB . 10136 1 848 . 1 1 72 72 SER N N 15 121.456 0.300 . 1 . . . . 72 SER N . 10136 1 849 . 1 1 73 73 PRO HA H 1 4.439 0.030 . 1 . . . . 73 PRO HA . 10136 1 850 . 1 1 73 73 PRO HB2 H 1 1.898 0.030 . 2 . . . . 73 PRO HB2 . 10136 1 851 . 1 1 73 73 PRO HB3 H 1 2.284 0.030 . 2 . . . . 73 PRO HB3 . 10136 1 852 . 1 1 73 73 PRO HG2 H 1 1.987 0.030 . 1 . . . . 73 PRO HG2 . 10136 1 853 . 1 1 73 73 PRO HG3 H 1 1.987 0.030 . 1 . . . . 73 PRO HG3 . 10136 1 854 . 1 1 73 73 PRO HD2 H 1 3.713 0.030 . 2 . . . . 73 PRO HD2 . 10136 1 855 . 1 1 73 73 PRO HD3 H 1 3.825 0.030 . 2 . . . . 73 PRO HD3 . 10136 1 856 . 1 1 73 73 PRO C C 13 176.492 0.300 . 1 . . . . 73 PRO C . 10136 1 857 . 1 1 73 73 PRO CA C 13 62.786 0.300 . 1 . . . . 73 PRO CA . 10136 1 858 . 1 1 73 73 PRO CB C 13 31.737 0.300 . 1 . . . . 73 PRO CB . 10136 1 859 . 1 1 73 73 PRO CG C 13 26.806 0.300 . 1 . . . . 73 PRO CG . 10136 1 860 . 1 1 73 73 PRO CD C 13 50.396 0.300 . 1 . . . . 73 PRO CD . 10136 1 861 . 1 1 74 74 LYS H H 1 8.332 0.030 . 1 . . . . 74 LYS H . 10136 1 862 . 1 1 74 74 LYS HA H 1 4.241 0.030 . 1 . . . . 74 LYS HA . 10136 1 863 . 1 1 74 74 LYS HB2 H 1 1.751 0.030 . 1 . . . . 74 LYS HB2 . 10136 1 864 . 1 1 74 74 LYS HB3 H 1 1.751 0.030 . 1 . . . . 74 LYS HB3 . 10136 1 865 . 1 1 74 74 LYS HG2 H 1 1.423 0.030 . 1 . . . . 74 LYS HG2 . 10136 1 866 . 1 1 74 74 LYS HG3 H 1 1.423 0.030 . 1 . . . . 74 LYS HG3 . 10136 1 867 . 1 1 74 74 LYS HD2 H 1 1.686 0.030 . 1 . . . . 74 LYS HD2 . 10136 1 868 . 1 1 74 74 LYS HD3 H 1 1.686 0.030 . 1 . . . . 74 LYS HD3 . 10136 1 869 . 1 1 74 74 LYS HE2 H 1 2.979 0.030 . 1 . . . . 74 LYS HE2 . 10136 1 870 . 1 1 74 74 LYS HE3 H 1 2.979 0.030 . 1 . . . . 74 LYS HE3 . 10136 1 871 . 1 1 74 74 LYS C C 13 176.271 0.300 . 1 . . . . 74 LYS C . 10136 1 872 . 1 1 74 74 LYS CA C 13 55.982 0.300 . 1 . . . . 74 LYS CA . 10136 1 873 . 1 1 74 74 LYS CB C 13 32.517 0.300 . 1 . . . . 74 LYS CB . 10136 1 874 . 1 1 74 74 LYS CG C 13 24.363 0.300 . 1 . . . . 74 LYS CG . 10136 1 875 . 1 1 74 74 LYS CD C 13 28.491 0.300 . 1 . . . . 74 LYS CD . 10136 1 876 . 1 1 74 74 LYS CE C 13 41.634 0.300 . 1 . . . . 74 LYS CE . 10136 1 877 . 1 1 74 74 LYS N N 15 121.867 0.300 . 1 . . . . 74 LYS N . 10136 1 878 . 1 1 75 75 LYS H H 1 8.249 0.030 . 1 . . . . 75 LYS H . 10136 1 879 . 1 1 75 75 LYS HA H 1 4.253 0.030 . 1 . . . . 75 LYS HA . 10136 1 880 . 1 1 75 75 LYS HB2 H 1 1.751 0.030 . 1 . . . . 75 LYS HB2 . 10136 1 881 . 1 1 75 75 LYS HB3 H 1 1.751 0.030 . 1 . . . . 75 LYS HB3 . 10136 1 882 . 1 1 75 75 LYS HG2 H 1 1.423 0.030 . 1 . . . . 75 LYS HG2 . 10136 1 883 . 1 1 75 75 LYS HG3 H 1 1.423 0.030 . 1 . . . . 75 LYS HG3 . 10136 1 884 . 1 1 75 75 LYS HD2 H 1 1.686 0.030 . 1 . . . . 75 LYS HD2 . 10136 1 885 . 1 1 75 75 LYS HD3 H 1 1.686 0.030 . 1 . . . . 75 LYS HD3 . 10136 1 886 . 1 1 75 75 LYS HE2 H 1 2.979 0.030 . 1 . . . . 75 LYS HE2 . 10136 1 887 . 1 1 75 75 LYS HE3 H 1 2.979 0.030 . 1 . . . . 75 LYS HE3 . 10136 1 888 . 1 1 75 75 LYS C C 13 175.680 0.300 . 1 . . . . 75 LYS C . 10136 1 889 . 1 1 75 75 LYS CA C 13 55.804 0.300 . 1 . . . . 75 LYS CA . 10136 1 890 . 1 1 75 75 LYS CB C 13 32.808 0.300 . 1 . . . . 75 LYS CB . 10136 1 891 . 1 1 75 75 LYS CG C 13 24.369 0.300 . 1 . . . . 75 LYS CG . 10136 1 892 . 1 1 75 75 LYS CD C 13 28.701 0.300 . 1 . . . . 75 LYS CD . 10136 1 893 . 1 1 75 75 LYS CE C 13 41.614 0.300 . 1 . . . . 75 LYS CE . 10136 1 894 . 1 1 75 75 LYS N N 15 123.284 0.300 . 1 . . . . 75 LYS N . 10136 1 895 . 1 1 76 76 ALA H H 1 8.287 0.030 . 1 . . . . 76 ALA H . 10136 1 896 . 1 1 76 76 ALA HA H 1 4.266 0.030 . 1 . . . . 76 ALA HA . 10136 1 897 . 1 1 76 76 ALA HB1 H 1 1.349 0.030 . 1 . . . . 76 ALA HB . 10136 1 898 . 1 1 76 76 ALA HB2 H 1 1.349 0.030 . 1 . . . . 76 ALA HB . 10136 1 899 . 1 1 76 76 ALA HB3 H 1 1.349 0.030 . 1 . . . . 76 ALA HB . 10136 1 900 . 1 1 76 76 ALA C C 13 176.861 0.300 . 1 . . . . 76 ALA C . 10136 1 901 . 1 1 76 76 ALA CA C 13 51.863 0.300 . 1 . . . . 76 ALA CA . 10136 1 902 . 1 1 76 76 ALA CB C 13 18.844 0.300 . 1 . . . . 76 ALA CB . 10136 1 903 . 1 1 76 76 ALA N N 15 125.954 0.300 . 1 . . . . 76 ALA N . 10136 1 904 . 1 1 77 77 LEU H H 1 8.206 0.030 . 1 . . . . 77 LEU H . 10136 1 905 . 1 1 77 77 LEU HA H 1 4.316 0.030 . 1 . . . . 77 LEU HA . 10136 1 906 . 1 1 77 77 LEU HB2 H 1 1.588 0.030 . 1 . . . . 77 LEU HB2 . 10136 1 907 . 1 1 77 77 LEU HB3 H 1 1.588 0.030 . 1 . . . . 77 LEU HB3 . 10136 1 908 . 1 1 77 77 LEU HD11 H 1 0.851 0.030 . 1 . . . . 77 LEU HD1 . 10136 1 909 . 1 1 77 77 LEU HD12 H 1 0.851 0.030 . 1 . . . . 77 LEU HD1 . 10136 1 910 . 1 1 77 77 LEU HD13 H 1 0.851 0.030 . 1 . . . . 77 LEU HD1 . 10136 1 911 . 1 1 77 77 LEU HD21 H 1 0.905 0.030 . 1 . . . . 77 LEU HD2 . 10136 1 912 . 1 1 77 77 LEU HD22 H 1 0.905 0.030 . 1 . . . . 77 LEU HD2 . 10136 1 913 . 1 1 77 77 LEU HD23 H 1 0.905 0.030 . 1 . . . . 77 LEU HD2 . 10136 1 914 . 1 1 77 77 LEU C C 13 176.529 0.300 . 1 . . . . 77 LEU C . 10136 1 915 . 1 1 77 77 LEU CA C 13 54.509 0.300 . 1 . . . . 77 LEU CA . 10136 1 916 . 1 1 77 77 LEU CB C 13 41.993 0.300 . 1 . . . . 77 LEU CB . 10136 1 917 . 1 1 77 77 LEU CG C 13 26.618 0.300 . 1 . . . . 77 LEU CG . 10136 1 918 . 1 1 77 77 LEU CD1 C 13 23.036 0.300 . 2 . . . . 77 LEU CD1 . 10136 1 919 . 1 1 77 77 LEU CD2 C 13 24.369 0.300 . 2 . . . . 77 LEU CD2 . 10136 1 920 . 1 1 77 77 LEU N N 15 122.327 0.300 . 1 . . . . 77 LEU N . 10136 1 921 . 1 1 78 78 LEU H H 1 8.150 0.030 . 1 . . . . 78 LEU H . 10136 1 922 . 1 1 78 78 LEU HB2 H 1 1.517 0.030 . 2 . . . . 78 LEU HB2 . 10136 1 923 . 1 1 78 78 LEU HB3 H 1 1.569 0.030 . 2 . . . . 78 LEU HB3 . 10136 1 924 . 1 1 78 78 LEU C C 13 174.204 0.300 . 1 . . . . 78 LEU C . 10136 1 925 . 1 1 78 78 LEU CA C 13 52.226 0.300 . 1 . . . . 78 LEU CA . 10136 1 926 . 1 1 78 78 LEU CB C 13 41.302 0.300 . 1 . . . . 78 LEU CB . 10136 1 927 . 1 1 78 78 LEU N N 15 124.828 0.300 . 1 . . . . 78 LEU N . 10136 1 928 . 1 1 80 80 PRO HA H 1 4.479 0.030 . 1 . . . . 80 PRO HA . 10136 1 929 . 1 1 80 80 PRO HB2 H 1 1.902 0.030 . 2 . . . . 80 PRO HB2 . 10136 1 930 . 1 1 80 80 PRO HB3 H 1 2.292 0.030 . 2 . . . . 80 PRO HB3 . 10136 1 931 . 1 1 80 80 PRO HG2 H 1 1.996 0.030 . 1 . . . . 80 PRO HG2 . 10136 1 932 . 1 1 80 80 PRO HG3 H 1 1.996 0.030 . 1 . . . . 80 PRO HG3 . 10136 1 933 . 1 1 80 80 PRO HD2 H 1 3.607 0.030 . 2 . . . . 80 PRO HD2 . 10136 1 934 . 1 1 80 80 PRO HD3 H 1 3.745 0.030 . 2 . . . . 80 PRO HD3 . 10136 1 935 . 1 1 80 80 PRO C C 13 176.714 0.300 . 1 . . . . 80 PRO C . 10136 1 936 . 1 1 80 80 PRO CA C 13 62.608 0.300 . 1 . . . . 80 PRO CA . 10136 1 937 . 1 1 80 80 PRO CB C 13 31.654 0.300 . 1 . . . . 80 PRO CB . 10136 1 938 . 1 1 80 80 PRO CG C 13 26.785 0.300 . 1 . . . . 80 PRO CG . 10136 1 939 . 1 1 80 80 PRO CD C 13 50.029 0.300 . 1 . . . . 80 PRO CD . 10136 1 940 . 1 1 81 81 THR H H 1 8.183 0.030 . 1 . . . . 81 THR H . 10136 1 941 . 1 1 81 81 THR HA H 1 4.276 0.030 . 1 . . . . 81 THR HA . 10136 1 942 . 1 1 81 81 THR HB H 1 4.156 0.030 . 1 . . . . 81 THR HB . 10136 1 943 . 1 1 81 81 THR HG21 H 1 1.196 0.030 . 1 . . . . 81 THR HG2 . 10136 1 944 . 1 1 81 81 THR HG22 H 1 1.196 0.030 . 1 . . . . 81 THR HG2 . 10136 1 945 . 1 1 81 81 THR HG23 H 1 1.196 0.030 . 1 . . . . 81 THR HG2 . 10136 1 946 . 1 1 81 81 THR C C 13 174.241 0.300 . 1 . . . . 81 THR C . 10136 1 947 . 1 1 81 81 THR CA C 13 61.663 0.300 . 1 . . . . 81 THR CA . 10136 1 948 . 1 1 81 81 THR CB C 13 69.300 0.300 . 1 . . . . 81 THR CB . 10136 1 949 . 1 1 81 81 THR CG2 C 13 21.370 0.300 . 1 . . . . 81 THR CG2 . 10136 1 950 . 1 1 81 81 THR N N 15 115.022 0.300 . 1 . . . . 81 THR N . 10136 1 951 . 1 1 82 82 VAL H H 1 8.140 0.030 . 1 . . . . 82 VAL H . 10136 1 952 . 1 1 82 82 VAL HA H 1 4.153 0.030 . 1 . . . . 82 VAL HA . 10136 1 953 . 1 1 82 82 VAL HB H 1 2.066 0.030 . 1 . . . . 82 VAL HB . 10136 1 954 . 1 1 82 82 VAL HG11 H 1 0.920 0.030 . 1 . . . . 82 VAL HG1 . 10136 1 955 . 1 1 82 82 VAL HG12 H 1 0.920 0.030 . 1 . . . . 82 VAL HG1 . 10136 1 956 . 1 1 82 82 VAL HG13 H 1 0.920 0.030 . 1 . . . . 82 VAL HG1 . 10136 1 957 . 1 1 82 82 VAL HG21 H 1 0.920 0.030 . 1 . . . . 82 VAL HG2 . 10136 1 958 . 1 1 82 82 VAL HG22 H 1 0.920 0.030 . 1 . . . . 82 VAL HG2 . 10136 1 959 . 1 1 82 82 VAL HG23 H 1 0.920 0.030 . 1 . . . . 82 VAL HG2 . 10136 1 960 . 1 1 82 82 VAL C C 13 175.471 0.300 . 1 . . . . 82 VAL C . 10136 1 961 . 1 1 82 82 VAL CA C 13 61.752 0.300 . 1 . . . . 82 VAL CA . 10136 1 962 . 1 1 82 82 VAL CB C 13 32.475 0.300 . 1 . . . . 82 VAL CB . 10136 1 963 . 1 1 82 82 VAL CG1 C 13 20.287 0.300 . 1 . . . . 82 VAL CG1 . 10136 1 964 . 1 1 82 82 VAL CG2 C 13 20.287 0.300 . 1 . . . . 82 VAL CG2 . 10136 1 965 . 1 1 82 82 VAL N N 15 123.016 0.300 . 1 . . . . 82 VAL N . 10136 1 966 . 1 1 83 83 SER H H 1 8.403 0.030 . 1 . . . . 83 SER H . 10136 1 967 . 1 1 83 83 SER HA H 1 4.467 0.030 . 1 . . . . 83 SER HA . 10136 1 968 . 1 1 83 83 SER HB2 H 1 3.826 0.030 . 1 . . . . 83 SER HB2 . 10136 1 969 . 1 1 83 83 SER HB3 H 1 3.826 0.030 . 1 . . . . 83 SER HB3 . 10136 1 970 . 1 1 83 83 SER C C 13 174.167 0.300 . 1 . . . . 83 SER C . 10136 1 971 . 1 1 83 83 SER CA C 13 57.597 0.300 . 1 . . . . 83 SER CA . 10136 1 972 . 1 1 83 83 SER CB C 13 63.481 0.300 . 1 . . . . 83 SER CB . 10136 1 973 . 1 1 83 83 SER N N 15 120.111 0.300 . 1 . . . . 83 SER N . 10136 1 974 . 1 1 84 84 LEU H H 1 8.413 0.030 . 1 . . . . 84 LEU H . 10136 1 975 . 1 1 84 84 LEU HA H 1 4.366 0.030 . 1 . . . . 84 LEU HA . 10136 1 976 . 1 1 84 84 LEU HB2 H 1 1.626 0.030 . 1 . . . . 84 LEU HB2 . 10136 1 977 . 1 1 84 84 LEU HB3 H 1 1.626 0.030 . 1 . . . . 84 LEU HB3 . 10136 1 978 . 1 1 84 84 LEU HD11 H 1 0.857 0.030 . 1 . . . . 84 LEU HD1 . 10136 1 979 . 1 1 84 84 LEU HD12 H 1 0.857 0.030 . 1 . . . . 84 LEU HD1 . 10136 1 980 . 1 1 84 84 LEU HD13 H 1 0.857 0.030 . 1 . . . . 84 LEU HD1 . 10136 1 981 . 1 1 84 84 LEU HD21 H 1 0.916 0.030 . 1 . . . . 84 LEU HD2 . 10136 1 982 . 1 1 84 84 LEU HD22 H 1 0.916 0.030 . 1 . . . . 84 LEU HD2 . 10136 1 983 . 1 1 84 84 LEU HD23 H 1 0.916 0.030 . 1 . . . . 84 LEU HD2 . 10136 1 984 . 1 1 84 84 LEU C C 13 177.107 0.300 . 1 . . . . 84 LEU C . 10136 1 985 . 1 1 84 84 LEU CA C 13 54.916 0.300 . 1 . . . . 84 LEU CA . 10136 1 986 . 1 1 84 84 LEU CB C 13 41.910 0.300 . 1 . . . . 84 LEU CB . 10136 1 987 . 1 1 84 84 LEU CG C 13 26.535 0.300 . 1 . . . . 84 LEU CG . 10136 1 988 . 1 1 84 84 LEU CD1 C 13 22.953 0.300 . 2 . . . . 84 LEU CD1 . 10136 1 989 . 1 1 84 84 LEU CD2 C 13 24.452 0.300 . 2 . . . . 84 LEU CD2 . 10136 1 990 . 1 1 84 84 LEU N N 15 125.433 0.300 . 1 . . . . 84 LEU N . 10136 1 991 . 1 1 85 85 SER H H 1 8.271 0.030 . 1 . . . . 85 SER H . 10136 1 992 . 1 1 85 85 SER HA H 1 4.429 0.030 . 1 . . . . 85 SER HA . 10136 1 993 . 1 1 85 85 SER HB2 H 1 3.851 0.030 . 1 . . . . 85 SER HB2 . 10136 1 994 . 1 1 85 85 SER HB3 H 1 3.851 0.030 . 1 . . . . 85 SER HB3 . 10136 1 995 . 1 1 85 85 SER C C 13 173.995 0.300 . 1 . . . . 85 SER C . 10136 1 996 . 1 1 85 85 SER CA C 13 57.846 0.300 . 1 . . . . 85 SER CA . 10136 1 997 . 1 1 85 85 SER CB C 13 63.398 0.300 . 1 . . . . 85 SER CB . 10136 1 998 . 1 1 85 85 SER N N 15 116.578 0.300 . 1 . . . . 85 SER N . 10136 1 999 . 1 1 86 86 ALA H H 1 8.352 0.030 . 1 . . . . 86 ALA H . 10136 1 1000 . 1 1 86 86 ALA HA H 1 4.379 0.030 . 1 . . . . 86 ALA HA . 10136 1 1001 . 1 1 86 86 ALA HB1 H 1 1.412 0.030 . 1 . . . . 86 ALA HB . 10136 1 1002 . 1 1 86 86 ALA HB2 H 1 1.412 0.030 . 1 . . . . 86 ALA HB . 10136 1 1003 . 1 1 86 86 ALA HB3 H 1 1.412 0.030 . 1 . . . . 86 ALA HB . 10136 1 1004 . 1 1 86 86 ALA C C 13 177.624 0.300 . 1 . . . . 86 ALA C . 10136 1 1005 . 1 1 86 86 ALA CA C 13 52.342 0.300 . 1 . . . . 86 ALA CA . 10136 1 1006 . 1 1 86 86 ALA CB C 13 18.844 0.300 . 1 . . . . 86 ALA CB . 10136 1 1007 . 1 1 86 86 ALA N N 15 126.348 0.300 . 1 . . . . 86 ALA N . 10136 1 1008 . 1 1 87 87 THR H H 1 8.115 0.030 . 1 . . . . 87 THR H . 10136 1 1009 . 1 1 87 87 THR HA H 1 4.390 0.030 . 1 . . . . 87 THR HA . 10136 1 1010 . 1 1 87 87 THR HB H 1 4.275 0.030 . 1 . . . . 87 THR HB . 10136 1 1011 . 1 1 87 87 THR HG21 H 1 1.196 0.030 . 1 . . . . 87 THR HG2 . 10136 1 1012 . 1 1 87 87 THR HG22 H 1 1.196 0.030 . 1 . . . . 87 THR HG2 . 10136 1 1013 . 1 1 87 87 THR HG23 H 1 1.196 0.030 . 1 . . . . 87 THR HG2 . 10136 1 1014 . 1 1 87 87 THR C C 13 174.241 0.300 . 1 . . . . 87 THR C . 10136 1 1015 . 1 1 87 87 THR CA C 13 61.219 0.300 . 1 . . . . 87 THR CA . 10136 1 1016 . 1 1 87 87 THR CB C 13 69.258 0.300 . 1 . . . . 87 THR CB . 10136 1 1017 . 1 1 87 87 THR CG2 C 13 21.203 0.300 . 1 . . . . 87 THR CG2 . 10136 1 1018 . 1 1 87 87 THR N N 15 112.670 0.300 . 1 . . . . 87 THR N . 10136 1 1019 . 1 1 88 88 SER H H 1 8.234 0.030 . 1 . . . . 88 SER H . 10136 1 1020 . 1 1 88 88 SER HA H 1 4.505 0.030 . 1 . . . . 88 SER HA . 10136 1 1021 . 1 1 88 88 SER HB2 H 1 3.876 0.030 . 1 . . . . 88 SER HB2 . 10136 1 1022 . 1 1 88 88 SER HB3 H 1 3.876 0.030 . 1 . . . . 88 SER HB3 . 10136 1 1023 . 1 1 88 88 SER C C 13 174.056 0.300 . 1 . . . . 88 SER C . 10136 1 1024 . 1 1 88 88 SER CA C 13 57.899 0.300 . 1 . . . . 88 SER CA . 10136 1 1025 . 1 1 88 88 SER CB C 13 63.689 0.300 . 1 . . . . 88 SER CB . 10136 1 1026 . 1 1 88 88 SER N N 15 118.114 0.300 . 1 . . . . 88 SER N . 10136 1 1027 . 1 1 89 89 GLY H H 1 8.251 0.030 . 1 . . . . 89 GLY H . 10136 1 1028 . 1 1 89 89 GLY C C 13 171.375 0.300 . 1 . . . . 89 GLY C . 10136 1 1029 . 1 1 89 89 GLY CA C 13 44.197 0.300 . 1 . . . . 89 GLY CA . 10136 1 1030 . 1 1 89 89 GLY N N 15 111.049 0.300 . 1 . . . . 89 GLY N . 10136 1 1031 . 1 1 90 90 PRO HA H 1 4.467 0.030 . 1 . . . . 90 PRO HA . 10136 1 1032 . 1 1 90 90 PRO HB2 H 1 1.953 0.030 . 2 . . . . 90 PRO HB2 . 10136 1 1033 . 1 1 90 90 PRO HB3 H 1 2.292 0.030 . 2 . . . . 90 PRO HB3 . 10136 1 1034 . 1 1 90 90 PRO HD2 H 1 3.602 0.030 . 1 . . . . 90 PRO HD2 . 10136 1 1035 . 1 1 90 90 PRO HD3 H 1 3.602 0.030 . 1 . . . . 90 PRO HD3 . 10136 1 1036 . 1 1 90 90 PRO C C 13 176.984 0.300 . 1 . . . . 90 PRO C . 10136 1 1037 . 1 1 90 90 PRO CA C 13 62.857 0.300 . 1 . . . . 90 PRO CA . 10136 1 1038 . 1 1 90 90 PRO CB C 13 31.820 0.300 . 1 . . . . 90 PRO CB . 10136 1 1039 . 1 1 90 90 PRO CG C 13 26.637 0.300 . 1 . . . . 90 PRO CG . 10136 1 1040 . 1 1 90 90 PRO CD C 13 49.385 0.300 . 1 . . . . 90 PRO CD . 10136 1 1041 . 1 1 91 91 SER H H 1 8.525 0.030 . 1 . . . . 91 SER H . 10136 1 1042 . 1 1 91 91 SER HA H 1 4.505 0.030 . 1 . . . . 91 SER HA . 10136 1 1043 . 1 1 91 91 SER HB2 H 1 3.901 0.030 . 1 . . . . 91 SER HB2 . 10136 1 1044 . 1 1 91 91 SER HB3 H 1 3.901 0.030 . 1 . . . . 91 SER HB3 . 10136 1 1045 . 1 1 91 91 SER C C 13 174.265 0.300 . 1 . . . . 91 SER C . 10136 1 1046 . 1 1 91 91 SER CA C 13 57.935 0.300 . 1 . . . . 91 SER CA . 10136 1 1047 . 1 1 91 91 SER CB C 13 63.398 0.300 . 1 . . . . 91 SER CB . 10136 1 1048 . 1 1 91 91 SER N N 15 116.753 0.300 . 1 . . . . 91 SER N . 10136 1 1049 . 1 1 92 92 SER H H 1 8.331 0.030 . 1 . . . . 92 SER H . 10136 1 1050 . 1 1 92 92 SER HA H 1 4.492 0.030 . 1 . . . . 92 SER HA . 10136 1 1051 . 1 1 92 92 SER HB2 H 1 3.876 0.030 . 1 . . . . 92 SER HB2 . 10136 1 1052 . 1 1 92 92 SER HB3 H 1 3.876 0.030 . 1 . . . . 92 SER HB3 . 10136 1 1053 . 1 1 92 92 SER C C 13 173.552 0.300 . 1 . . . . 92 SER C . 10136 1 1054 . 1 1 92 92 SER CA C 13 57.988 0.300 . 1 . . . . 92 SER CA . 10136 1 1055 . 1 1 92 92 SER CB C 13 63.689 0.300 . 1 . . . . 92 SER CB . 10136 1 1056 . 1 1 92 92 SER N N 15 118.185 0.300 . 1 . . . . 92 SER N . 10136 1 1057 . 1 1 93 93 GLY H H 1 8.047 0.030 . 1 . . . . 93 GLY H . 10136 1 1058 . 1 1 93 93 GLY C C 13 178.608 0.300 . 1 . . . . 93 GLY C . 10136 1 1059 . 1 1 93 93 GLY CA C 13 45.795 0.300 . 1 . . . . 93 GLY CA . 10136 1 1060 . 1 1 93 93 GLY N N 15 117.194 0.300 . 1 . . . . 93 GLY N . 10136 1 stop_ save_