data_10081 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10081 _Entry.Title ; Solution structure of the PDZ domain of mouse Rhophilin-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-23 _Entry.Accession_date 2007-01-24 _Entry.Last_release_date 2008-08-14 _Entry.Original_release_date 2008-08-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Yoneyama . . . 10081 2 N. Tochio . . . 10081 3 S. Koshiba . . . 10081 4 M. Inoue . . . 10081 5 T. Kigawa . . . 10081 6 S. Yokoyama . . . 10081 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10081 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10081 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 427 10081 '15N chemical shifts' 100 10081 '1H chemical shifts' 678 10081 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-14 2007-01-23 original author . 10081 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1VAE 'BMRB Entry Tracking System' 10081 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10081 _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 PDZ domain of mouse Rhophilin-2' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Yoneyama . . . 10081 1 2 N. Tochio . . . 10081 1 3 S. Koshiba . . . 10081 1 4 M. Inoue . . . 10081 1 5 T. Kigawa . . . 10081 1 6 S. Yokoyama . . . 10081 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10081 _Assembly.ID 1 _Assembly.Name 'rhophilin, Rho GTPase binding protein 2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10081 1 stop_ 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 'rhophilin, Rho GTPase binding protein 2' 1 $entity_1 . . yes native no no . . . 10081 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 1VAE . . . . . . 10081 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10081 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGSASKRWSPPRGIH FTVEEGDLGFTLRGNTPVQV HFLDPHCSASLAGAKEGDYI VSIQGVDCKWLTVSEVMKLL KSFGGEEVEMKVVSLLDSTS SMHNKSGPSSG ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 1VAE . "Solution Structure Of The Pdz Domain Of Mouse Rhophilin-2" . . . . . 100.00 111 100.00 100.00 4.10e-73 . . . . 10081 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 10081 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 . 10081 1 2 . SER . 10081 1 3 . SER . 10081 1 4 . GLY . 10081 1 5 . SER . 10081 1 6 . SER . 10081 1 7 . GLY . 10081 1 8 . SER . 10081 1 9 . ALA . 10081 1 10 . SER . 10081 1 11 . LYS . 10081 1 12 . ARG . 10081 1 13 . TRP . 10081 1 14 . SER . 10081 1 15 . PRO . 10081 1 16 . PRO . 10081 1 17 . ARG . 10081 1 18 . GLY . 10081 1 19 . ILE . 10081 1 20 . HIS . 10081 1 21 . PHE . 10081 1 22 . THR . 10081 1 23 . VAL . 10081 1 24 . GLU . 10081 1 25 . GLU . 10081 1 26 . GLY . 10081 1 27 . ASP . 10081 1 28 . LEU . 10081 1 29 . GLY . 10081 1 30 . PHE . 10081 1 31 . THR . 10081 1 32 . LEU . 10081 1 33 . ARG . 10081 1 34 . GLY . 10081 1 35 . ASN . 10081 1 36 . THR . 10081 1 37 . PRO . 10081 1 38 . VAL . 10081 1 39 . GLN . 10081 1 40 . VAL . 10081 1 41 . HIS . 10081 1 42 . PHE . 10081 1 43 . LEU . 10081 1 44 . ASP . 10081 1 45 . PRO . 10081 1 46 . HIS . 10081 1 47 . CYS . 10081 1 48 . SER . 10081 1 49 . ALA . 10081 1 50 . SER . 10081 1 51 . LEU . 10081 1 52 . ALA . 10081 1 53 . GLY . 10081 1 54 . ALA . 10081 1 55 . LYS . 10081 1 56 . GLU . 10081 1 57 . GLY . 10081 1 58 . ASP . 10081 1 59 . TYR . 10081 1 60 . ILE . 10081 1 61 . VAL . 10081 1 62 . SER . 10081 1 63 . ILE . 10081 1 64 . GLN . 10081 1 65 . GLY . 10081 1 66 . VAL . 10081 1 67 . ASP . 10081 1 68 . CYS . 10081 1 69 . LYS . 10081 1 70 . TRP . 10081 1 71 . LEU . 10081 1 72 . THR . 10081 1 73 . VAL . 10081 1 74 . SER . 10081 1 75 . GLU . 10081 1 76 . VAL . 10081 1 77 . MET . 10081 1 78 . LYS . 10081 1 79 . LEU . 10081 1 80 . LEU . 10081 1 81 . LYS . 10081 1 82 . SER . 10081 1 83 . PHE . 10081 1 84 . GLY . 10081 1 85 . GLY . 10081 1 86 . GLU . 10081 1 87 . GLU . 10081 1 88 . VAL . 10081 1 89 . GLU . 10081 1 90 . MET . 10081 1 91 . LYS . 10081 1 92 . VAL . 10081 1 93 . VAL . 10081 1 94 . SER . 10081 1 95 . LEU . 10081 1 96 . LEU . 10081 1 97 . ASP . 10081 1 98 . SER . 10081 1 99 . THR . 10081 1 100 . SER . 10081 1 101 . SER . 10081 1 102 . MET . 10081 1 103 . HIS . 10081 1 104 . ASN . 10081 1 105 . LYS . 10081 1 106 . SER . 10081 1 107 . GLY . 10081 1 108 . PRO . 10081 1 109 . SER . 10081 1 110 . SER . 10081 1 111 . GLY . 10081 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 10081 1 . SER 2 2 10081 1 . SER 3 3 10081 1 . GLY 4 4 10081 1 . SER 5 5 10081 1 . SER 6 6 10081 1 . GLY 7 7 10081 1 . SER 8 8 10081 1 . ALA 9 9 10081 1 . SER 10 10 10081 1 . LYS 11 11 10081 1 . ARG 12 12 10081 1 . TRP 13 13 10081 1 . SER 14 14 10081 1 . PRO 15 15 10081 1 . PRO 16 16 10081 1 . ARG 17 17 10081 1 . GLY 18 18 10081 1 . ILE 19 19 10081 1 . HIS 20 20 10081 1 . PHE 21 21 10081 1 . THR 22 22 10081 1 . VAL 23 23 10081 1 . GLU 24 24 10081 1 . GLU 25 25 10081 1 . GLY 26 26 10081 1 . ASP 27 27 10081 1 . LEU 28 28 10081 1 . GLY 29 29 10081 1 . PHE 30 30 10081 1 . THR 31 31 10081 1 . LEU 32 32 10081 1 . ARG 33 33 10081 1 . GLY 34 34 10081 1 . ASN 35 35 10081 1 . THR 36 36 10081 1 . PRO 37 37 10081 1 . VAL 38 38 10081 1 . GLN 39 39 10081 1 . VAL 40 40 10081 1 . HIS 41 41 10081 1 . PHE 42 42 10081 1 . LEU 43 43 10081 1 . ASP 44 44 10081 1 . PRO 45 45 10081 1 . HIS 46 46 10081 1 . CYS 47 47 10081 1 . SER 48 48 10081 1 . ALA 49 49 10081 1 . SER 50 50 10081 1 . LEU 51 51 10081 1 . ALA 52 52 10081 1 . GLY 53 53 10081 1 . ALA 54 54 10081 1 . LYS 55 55 10081 1 . GLU 56 56 10081 1 . GLY 57 57 10081 1 . ASP 58 58 10081 1 . TYR 59 59 10081 1 . ILE 60 60 10081 1 . VAL 61 61 10081 1 . SER 62 62 10081 1 . ILE 63 63 10081 1 . GLN 64 64 10081 1 . GLY 65 65 10081 1 . VAL 66 66 10081 1 . ASP 67 67 10081 1 . CYS 68 68 10081 1 . LYS 69 69 10081 1 . TRP 70 70 10081 1 . LEU 71 71 10081 1 . THR 72 72 10081 1 . VAL 73 73 10081 1 . SER 74 74 10081 1 . GLU 75 75 10081 1 . VAL 76 76 10081 1 . MET 77 77 10081 1 . LYS 78 78 10081 1 . LEU 79 79 10081 1 . LEU 80 80 10081 1 . LYS 81 81 10081 1 . SER 82 82 10081 1 . PHE 83 83 10081 1 . GLY 84 84 10081 1 . GLY 85 85 10081 1 . GLU 86 86 10081 1 . GLU 87 87 10081 1 . VAL 88 88 10081 1 . GLU 89 89 10081 1 . MET 90 90 10081 1 . LYS 91 91 10081 1 . VAL 92 92 10081 1 . VAL 93 93 10081 1 . SER 94 94 10081 1 . LEU 95 95 10081 1 . LEU 96 96 10081 1 . ASP 97 97 10081 1 . SER 98 98 10081 1 . THR 99 99 10081 1 . SER 100 100 10081 1 . SER 101 101 10081 1 . MET 102 102 10081 1 . HIS 103 103 10081 1 . ASN 104 104 10081 1 . LYS 105 105 10081 1 . SER 106 106 10081 1 . GLY 107 107 10081 1 . PRO 108 108 10081 1 . SER 109 109 10081 1 . SER 110 110 10081 1 . GLY 111 111 10081 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 10081 _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 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10081 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 10081 _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 . . P030203-40 . . . . . . 10081 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10081 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 10081 1 2 acetate . . . . . . buffer 20 . . mM . . . . 10081 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10081 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10081 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10081 1 6 H2O . . . . . . solvent 90 . . % . . . . 10081 1 7 D2O . . . . . . solvent 10 . . % . . . . 10081 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 10081 _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 10081 1 pH 4.0 0.05 pH 10081 1 pressure 1 0.001 atm 10081 1 temperature 298 0.1 K 10081 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10081 _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 . . 10081 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10081 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10081 _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.' . . 10081 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10081 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10081 _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 'Jhonson, B.A.' . . 10081 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10081 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10081 _Software.ID 4 _Software.Name Kujira _Software.Version 0.891 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10081 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10081 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10081 _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.' . . 10081 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10081 5 'structure solution' 10081 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 10081 _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_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10081 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10081 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10081 1 stop_ save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10081 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10081 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 10081 _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 . . . . . . . . . 10081 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10081 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10081 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 10081 _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 15N-separated NOESY' 1 $sample_1 isotropic 10081 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10081 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 8 8 SER HA H 1 4.454 0.030 . 1 . . . . 8 SER HA . 10081 1 2 . 1 1 8 8 SER HB2 H 1 3.896 0.030 . 1 . . . . 8 SER HB2 . 10081 1 3 . 1 1 8 8 SER HB3 H 1 3.896 0.030 . 1 . . . . 8 SER HB3 . 10081 1 4 . 1 1 8 8 SER C C 13 174.652 0.300 . 1 . . . . 8 SER C . 10081 1 5 . 1 1 8 8 SER CA C 13 58.586 0.300 . 1 . . . . 8 SER CA . 10081 1 6 . 1 1 8 8 SER CB C 13 63.886 0.300 . 1 . . . . 8 SER CB . 10081 1 7 . 1 1 9 9 ALA H H 1 8.365 0.030 . 1 . . . . 9 ALA H . 10081 1 8 . 1 1 9 9 ALA HA H 1 4.378 0.030 . 1 . . . . 9 ALA HA . 10081 1 9 . 1 1 9 9 ALA HB1 H 1 1.435 0.030 . 1 . . . . 9 ALA HB . 10081 1 10 . 1 1 9 9 ALA HB2 H 1 1.435 0.030 . 1 . . . . 9 ALA HB . 10081 1 11 . 1 1 9 9 ALA HB3 H 1 1.435 0.030 . 1 . . . . 9 ALA HB . 10081 1 12 . 1 1 9 9 ALA C C 13 177.833 0.300 . 1 . . . . 9 ALA C . 10081 1 13 . 1 1 9 9 ALA CA C 13 52.821 0.300 . 1 . . . . 9 ALA CA . 10081 1 14 . 1 1 9 9 ALA CB C 13 19.215 0.300 . 1 . . . . 9 ALA CB . 10081 1 15 . 1 1 9 9 ALA N N 15 125.886 0.300 . 1 . . . . 9 ALA N . 10081 1 16 . 1 1 10 10 SER H H 1 8.149 0.030 . 1 . . . . 10 SER H . 10081 1 17 . 1 1 10 10 SER HA H 1 4.359 0.030 . 1 . . . . 10 SER HA . 10081 1 18 . 1 1 10 10 SER HB2 H 1 3.842 0.030 . 1 . . . . 10 SER HB2 . 10081 1 19 . 1 1 10 10 SER HB3 H 1 3.842 0.030 . 1 . . . . 10 SER HB3 . 10081 1 20 . 1 1 10 10 SER C C 13 174.421 0.300 . 1 . . . . 10 SER C . 10081 1 21 . 1 1 10 10 SER CA C 13 58.552 0.300 . 1 . . . . 10 SER CA . 10081 1 22 . 1 1 10 10 SER CB C 13 63.827 0.300 . 1 . . . . 10 SER CB . 10081 1 23 . 1 1 10 10 SER N N 15 114.732 0.300 . 1 . . . . 10 SER N . 10081 1 24 . 1 1 11 11 LYS H H 1 8.063 0.030 . 1 . . . . 11 LYS H . 10081 1 25 . 1 1 11 11 LYS HA H 1 4.272 0.030 . 1 . . . . 11 LYS HA . 10081 1 26 . 1 1 11 11 LYS HB2 H 1 1.541 0.030 . 2 . . . . 11 LYS HB2 . 10081 1 27 . 1 1 11 11 LYS HB3 H 1 1.372 0.030 . 2 . . . . 11 LYS HB3 . 10081 1 28 . 1 1 11 11 LYS HG2 H 1 1.406 0.030 . 2 . . . . 11 LYS HG2 . 10081 1 29 . 1 1 11 11 LYS HG3 H 1 1.275 0.030 . 2 . . . . 11 LYS HG3 . 10081 1 30 . 1 1 11 11 LYS HD2 H 1 1.588 0.030 . 1 . . . . 11 LYS HD2 . 10081 1 31 . 1 1 11 11 LYS HD3 H 1 1.588 0.030 . 1 . . . . 11 LYS HD3 . 10081 1 32 . 1 1 11 11 LYS HE2 H 1 2.964 0.030 . 1 . . . . 11 LYS HE2 . 10081 1 33 . 1 1 11 11 LYS HE3 H 1 2.964 0.030 . 1 . . . . 11 LYS HE3 . 10081 1 34 . 1 1 11 11 LYS C C 13 175.575 0.300 . 1 . . . . 11 LYS C . 10081 1 35 . 1 1 11 11 LYS CA C 13 56.139 0.300 . 1 . . . . 11 LYS CA . 10081 1 36 . 1 1 11 11 LYS CB C 13 33.308 0.300 . 1 . . . . 11 LYS CB . 10081 1 37 . 1 1 11 11 LYS CG C 13 25.161 0.300 . 1 . . . . 11 LYS CG . 10081 1 38 . 1 1 11 11 LYS CD C 13 29.188 0.300 . 1 . . . . 11 LYS CD . 10081 1 39 . 1 1 11 11 LYS CE C 13 42.338 0.300 . 1 . . . . 11 LYS CE . 10081 1 40 . 1 1 11 11 LYS N N 15 122.807 0.300 . 1 . . . . 11 LYS N . 10081 1 41 . 1 1 12 12 ARG H H 1 8.156 0.030 . 1 . . . . 12 ARG H . 10081 1 42 . 1 1 12 12 ARG HA H 1 4.357 0.030 . 1 . . . . 12 ARG HA . 10081 1 43 . 1 1 12 12 ARG HB2 H 1 1.678 0.030 . 2 . . . . 12 ARG HB2 . 10081 1 44 . 1 1 12 12 ARG HB3 H 1 1.575 0.030 . 2 . . . . 12 ARG HB3 . 10081 1 45 . 1 1 12 12 ARG HG2 H 1 1.484 0.030 . 2 . . . . 12 ARG HG2 . 10081 1 46 . 1 1 12 12 ARG HG3 H 1 1.376 0.030 . 2 . . . . 12 ARG HG3 . 10081 1 47 . 1 1 12 12 ARG HD2 H 1 3.115 0.030 . 1 . . . . 12 ARG HD2 . 10081 1 48 . 1 1 12 12 ARG HD3 H 1 3.115 0.030 . 1 . . . . 12 ARG HD3 . 10081 1 49 . 1 1 12 12 ARG HE H 1 7.076 0.030 . 1 . . . . 12 ARG HE . 10081 1 50 . 1 1 12 12 ARG C C 13 174.190 0.300 . 1 . . . . 12 ARG C . 10081 1 51 . 1 1 12 12 ARG CA C 13 55.386 0.300 . 1 . . . . 12 ARG CA . 10081 1 52 . 1 1 12 12 ARG CB C 13 31.743 0.300 . 1 . . . . 12 ARG CB . 10081 1 53 . 1 1 12 12 ARG CG C 13 27.210 0.300 . 1 . . . . 12 ARG CG . 10081 1 54 . 1 1 12 12 ARG CD C 13 43.446 0.300 . 1 . . . . 12 ARG CD . 10081 1 55 . 1 1 12 12 ARG N N 15 121.311 0.300 . 1 . . . . 12 ARG N . 10081 1 56 . 1 1 12 12 ARG NE N 15 84.800 0.300 . 1 . . . . 12 ARG NE . 10081 1 57 . 1 1 13 13 TRP H H 1 8.082 0.030 . 1 . . . . 13 TRP H . 10081 1 58 . 1 1 13 13 TRP HA H 1 5.208 0.030 . 1 . . . . 13 TRP HA . 10081 1 59 . 1 1 13 13 TRP HB2 H 1 3.270 0.030 . 2 . . . . 13 TRP HB2 . 10081 1 60 . 1 1 13 13 TRP HB3 H 1 3.015 0.030 . 2 . . . . 13 TRP HB3 . 10081 1 61 . 1 1 13 13 TRP HD1 H 1 7.092 0.030 . 1 . . . . 13 TRP HD1 . 10081 1 62 . 1 1 13 13 TRP HE1 H 1 9.681 0.030 . 1 . . . . 13 TRP HE1 . 10081 1 63 . 1 1 13 13 TRP HE3 H 1 7.291 0.030 . 1 . . . . 13 TRP HE3 . 10081 1 64 . 1 1 13 13 TRP HZ2 H 1 7.125 0.030 . 1 . . . . 13 TRP HZ2 . 10081 1 65 . 1 1 13 13 TRP HZ3 H 1 6.291 0.030 . 1 . . . . 13 TRP HZ3 . 10081 1 66 . 1 1 13 13 TRP HH2 H 1 6.466 0.030 . 1 . . . . 13 TRP HH2 . 10081 1 67 . 1 1 13 13 TRP CA C 13 55.524 0.300 . 1 . . . . 13 TRP CA . 10081 1 68 . 1 1 13 13 TRP CB C 13 31.625 0.300 . 1 . . . . 13 TRP CB . 10081 1 69 . 1 1 13 13 TRP CD1 C 13 126.748 0.300 . 1 . . . . 13 TRP CD1 . 10081 1 70 . 1 1 13 13 TRP CE3 C 13 120.678 0.300 . 1 . . . . 13 TRP CE3 . 10081 1 71 . 1 1 13 13 TRP CZ2 C 13 113.852 0.300 . 1 . . . . 13 TRP CZ2 . 10081 1 72 . 1 1 13 13 TRP CZ3 C 13 121.948 0.300 . 1 . . . . 13 TRP CZ3 . 10081 1 73 . 1 1 13 13 TRP CH2 C 13 124.108 0.300 . 1 . . . . 13 TRP CH2 . 10081 1 74 . 1 1 13 13 TRP N N 15 121.802 0.300 . 1 . . . . 13 TRP N . 10081 1 75 . 1 1 13 13 TRP NE1 N 15 127.810 0.300 . 1 . . . . 13 TRP NE1 . 10081 1 76 . 1 1 14 14 SER H H 1 9.099 0.030 . 1 . . . . 14 SER H . 10081 1 77 . 1 1 14 14 SER HA H 1 4.639 0.030 . 1 . . . . 14 SER HA . 10081 1 78 . 1 1 14 14 SER HB2 H 1 4.443 0.030 . 2 . . . . 14 SER HB2 . 10081 1 79 . 1 1 14 14 SER HB3 H 1 3.935 0.030 . 2 . . . . 14 SER HB3 . 10081 1 80 . 1 1 14 14 SER CA C 13 57.710 0.300 . 1 . . . . 14 SER CA . 10081 1 81 . 1 1 14 14 SER CB C 13 62.961 0.300 . 1 . . . . 14 SER CB . 10081 1 82 . 1 1 14 14 SER N N 15 119.475 0.300 . 1 . . . . 14 SER N . 10081 1 83 . 1 1 15 15 PRO HA H 1 4.838 0.030 . 1 . . . . 15 PRO HA . 10081 1 84 . 1 1 15 15 PRO HB2 H 1 2.505 0.030 . 2 . . . . 15 PRO HB2 . 10081 1 85 . 1 1 15 15 PRO HB3 H 1 1.831 0.030 . 2 . . . . 15 PRO HB3 . 10081 1 86 . 1 1 15 15 PRO HG2 H 1 2.171 0.030 . 2 . . . . 15 PRO HG2 . 10081 1 87 . 1 1 15 15 PRO HG3 H 1 2.080 0.030 . 2 . . . . 15 PRO HG3 . 10081 1 88 . 1 1 15 15 PRO HD2 H 1 3.911 0.030 . 2 . . . . 15 PRO HD2 . 10081 1 89 . 1 1 15 15 PRO HD3 H 1 3.721 0.030 . 2 . . . . 15 PRO HD3 . 10081 1 90 . 1 1 15 15 PRO CA C 13 61.794 0.300 . 1 . . . . 15 PRO CA . 10081 1 91 . 1 1 15 15 PRO CB C 13 30.614 0.300 . 1 . . . . 15 PRO CB . 10081 1 92 . 1 1 15 15 PRO CG C 13 28.199 0.300 . 1 . . . . 15 PRO CG . 10081 1 93 . 1 1 15 15 PRO CD C 13 50.302 0.300 . 1 . . . . 15 PRO CD . 10081 1 94 . 1 1 16 16 PRO HA H 1 4.861 0.030 . 1 . . . . 16 PRO HA . 10081 1 95 . 1 1 16 16 PRO HB2 H 1 1.869 0.030 . 2 . . . . 16 PRO HB2 . 10081 1 96 . 1 1 16 16 PRO HB3 H 1 1.692 0.030 . 2 . . . . 16 PRO HB3 . 10081 1 97 . 1 1 16 16 PRO HG2 H 1 2.085 0.030 . 2 . . . . 16 PRO HG2 . 10081 1 98 . 1 1 16 16 PRO HG3 H 1 1.885 0.030 . 2 . . . . 16 PRO HG3 . 10081 1 99 . 1 1 16 16 PRO HD2 H 1 3.941 0.030 . 2 . . . . 16 PRO HD2 . 10081 1 100 . 1 1 16 16 PRO HD3 H 1 3.660 0.030 . 2 . . . . 16 PRO HD3 . 10081 1 101 . 1 1 16 16 PRO CA C 13 62.649 0.300 . 1 . . . . 16 PRO CA . 10081 1 102 . 1 1 16 16 PRO CB C 13 32.402 0.300 . 1 . . . . 16 PRO CB . 10081 1 103 . 1 1 16 16 PRO CG C 13 27.374 0.300 . 1 . . . . 16 PRO CG . 10081 1 104 . 1 1 16 16 PRO CD C 13 50.287 0.300 . 1 . . . . 16 PRO CD . 10081 1 105 . 1 1 17 17 ARG H H 1 9.248 0.030 . 1 . . . . 17 ARG H . 10081 1 106 . 1 1 17 17 ARG HA H 1 4.704 0.030 . 1 . . . . 17 ARG HA . 10081 1 107 . 1 1 17 17 ARG HB2 H 1 1.740 0.030 . 2 . . . . 17 ARG HB2 . 10081 1 108 . 1 1 17 17 ARG HB3 H 1 1.699 0.030 . 2 . . . . 17 ARG HB3 . 10081 1 109 . 1 1 17 17 ARG HG2 H 1 1.635 0.030 . 2 . . . . 17 ARG HG2 . 10081 1 110 . 1 1 17 17 ARG HG3 H 1 1.520 0.030 . 2 . . . . 17 ARG HG3 . 10081 1 111 . 1 1 17 17 ARG HD2 H 1 3.288 0.030 . 2 . . . . 17 ARG HD2 . 10081 1 112 . 1 1 17 17 ARG HD3 H 1 3.153 0.030 . 2 . . . . 17 ARG HD3 . 10081 1 113 . 1 1 17 17 ARG HE H 1 7.329 0.030 . 1 . . . . 17 ARG HE . 10081 1 114 . 1 1 17 17 ARG C C 13 175.113 0.300 . 1 . . . . 17 ARG C . 10081 1 115 . 1 1 17 17 ARG CA C 13 54.389 0.300 . 1 . . . . 17 ARG CA . 10081 1 116 . 1 1 17 17 ARG CB C 13 32.383 0.300 . 1 . . . . 17 ARG CB . 10081 1 117 . 1 1 17 17 ARG CG C 13 27.353 0.300 . 1 . . . . 17 ARG CG . 10081 1 118 . 1 1 17 17 ARG CD C 13 43.149 0.300 . 1 . . . . 17 ARG CD . 10081 1 119 . 1 1 17 17 ARG N N 15 122.525 0.300 . 1 . . . . 17 ARG N . 10081 1 120 . 1 1 17 17 ARG NE N 15 84.874 0.300 . 1 . . . . 17 ARG NE . 10081 1 121 . 1 1 18 18 GLY H H 1 8.794 0.030 . 1 . . . . 18 GLY H . 10081 1 122 . 1 1 18 18 GLY HA2 H 1 4.546 0.030 . 2 . . . . 18 GLY HA2 . 10081 1 123 . 1 1 18 18 GLY HA3 H 1 3.605 0.030 . 2 . . . . 18 GLY HA3 . 10081 1 124 . 1 1 18 18 GLY C C 13 172.927 0.300 . 1 . . . . 18 GLY C . 10081 1 125 . 1 1 18 18 GLY CA C 13 45.432 0.300 . 1 . . . . 18 GLY CA . 10081 1 126 . 1 1 18 18 GLY N N 15 110.084 0.300 . 1 . . . . 18 GLY N . 10081 1 127 . 1 1 19 19 ILE H H 1 9.143 0.030 . 1 . . . . 19 ILE H . 10081 1 128 . 1 1 19 19 ILE HA H 1 4.664 0.030 . 1 . . . . 19 ILE HA . 10081 1 129 . 1 1 19 19 ILE HB H 1 2.142 0.030 . 1 . . . . 19 ILE HB . 10081 1 130 . 1 1 19 19 ILE HG12 H 1 1.547 0.030 . 2 . . . . 19 ILE HG12 . 10081 1 131 . 1 1 19 19 ILE HG13 H 1 1.193 0.030 . 2 . . . . 19 ILE HG13 . 10081 1 132 . 1 1 19 19 ILE HG21 H 1 0.794 0.030 . 1 . . . . 19 ILE HG2 . 10081 1 133 . 1 1 19 19 ILE HG22 H 1 0.794 0.030 . 1 . . . . 19 ILE HG2 . 10081 1 134 . 1 1 19 19 ILE HG23 H 1 0.794 0.030 . 1 . . . . 19 ILE HG2 . 10081 1 135 . 1 1 19 19 ILE HD11 H 1 0.664 0.030 . 1 . . . . 19 ILE HD1 . 10081 1 136 . 1 1 19 19 ILE HD12 H 1 0.664 0.030 . 1 . . . . 19 ILE HD1 . 10081 1 137 . 1 1 19 19 ILE HD13 H 1 0.664 0.030 . 1 . . . . 19 ILE HD1 . 10081 1 138 . 1 1 19 19 ILE C C 13 174.882 0.300 . 1 . . . . 19 ILE C . 10081 1 139 . 1 1 19 19 ILE CA C 13 58.780 0.300 . 1 . . . . 19 ILE CA . 10081 1 140 . 1 1 19 19 ILE CB C 13 39.284 0.300 . 1 . . . . 19 ILE CB . 10081 1 141 . 1 1 19 19 ILE CG1 C 13 26.697 0.300 . 1 . . . . 19 ILE CG1 . 10081 1 142 . 1 1 19 19 ILE CG2 C 13 18.077 0.300 . 1 . . . . 19 ILE CG2 . 10081 1 143 . 1 1 19 19 ILE CD1 C 13 12.001 0.300 . 1 . . . . 19 ILE CD1 . 10081 1 144 . 1 1 19 19 ILE N N 15 124.574 0.300 . 1 . . . . 19 ILE N . 10081 1 145 . 1 1 20 20 HIS H H 1 8.969 0.030 . 1 . . . . 20 HIS H . 10081 1 146 . 1 1 20 20 HIS HA H 1 5.991 0.030 . 1 . . . . 20 HIS HA . 10081 1 147 . 1 1 20 20 HIS HB2 H 1 3.181 0.030 . 2 . . . . 20 HIS HB2 . 10081 1 148 . 1 1 20 20 HIS HB3 H 1 3.102 0.030 . 2 . . . . 20 HIS HB3 . 10081 1 149 . 1 1 20 20 HIS HD2 H 1 7.205 0.030 . 1 . . . . 20 HIS HD2 . 10081 1 150 . 1 1 20 20 HIS C C 13 173.292 0.300 . 1 . . . . 20 HIS C . 10081 1 151 . 1 1 20 20 HIS CA C 13 54.143 0.300 . 1 . . . . 20 HIS CA . 10081 1 152 . 1 1 20 20 HIS CB C 13 30.177 0.300 . 1 . . . . 20 HIS CB . 10081 1 153 . 1 1 20 20 HIS CD2 C 13 119.674 0.300 . 1 . . . . 20 HIS CD2 . 10081 1 154 . 1 1 20 20 HIS N N 15 122.973 0.300 . 1 . . . . 20 HIS N . 10081 1 155 . 1 1 21 21 PHE H H 1 8.453 0.030 . 1 . . . . 21 PHE H . 10081 1 156 . 1 1 21 21 PHE HA H 1 4.999 0.030 . 1 . . . . 21 PHE HA . 10081 1 157 . 1 1 21 21 PHE HB2 H 1 3.063 0.030 . 2 . . . . 21 PHE HB2 . 10081 1 158 . 1 1 21 21 PHE HB3 H 1 2.952 0.030 . 2 . . . . 21 PHE HB3 . 10081 1 159 . 1 1 21 21 PHE HD1 H 1 7.007 0.030 . 1 . . . . 21 PHE HD1 . 10081 1 160 . 1 1 21 21 PHE HD2 H 1 7.007 0.030 . 1 . . . . 21 PHE HD2 . 10081 1 161 . 1 1 21 21 PHE HE1 H 1 7.287 0.030 . 1 . . . . 21 PHE HE1 . 10081 1 162 . 1 1 21 21 PHE HE2 H 1 7.287 0.030 . 1 . . . . 21 PHE HE2 . 10081 1 163 . 1 1 21 21 PHE HZ H 1 7.138 0.030 . 1 . . . . 21 PHE HZ . 10081 1 164 . 1 1 21 21 PHE C C 13 172.296 0.300 . 1 . . . . 21 PHE C . 10081 1 165 . 1 1 21 21 PHE CA C 13 55.888 0.300 . 1 . . . . 21 PHE CA . 10081 1 166 . 1 1 21 21 PHE CB C 13 40.475 0.300 . 1 . . . . 21 PHE CB . 10081 1 167 . 1 1 21 21 PHE CD1 C 13 132.318 0.300 . 1 . . . . 21 PHE CD1 . 10081 1 168 . 1 1 21 21 PHE CD2 C 13 132.318 0.300 . 1 . . . . 21 PHE CD2 . 10081 1 169 . 1 1 21 21 PHE CE1 C 13 130.769 0.300 . 1 . . . . 21 PHE CE1 . 10081 1 170 . 1 1 21 21 PHE CE2 C 13 130.769 0.300 . 1 . . . . 21 PHE CE2 . 10081 1 171 . 1 1 21 21 PHE CZ C 13 128.286 0.300 . 1 . . . . 21 PHE CZ . 10081 1 172 . 1 1 21 21 PHE N N 15 118.717 0.300 . 1 . . . . 21 PHE N . 10081 1 173 . 1 1 22 22 THR H H 1 8.755 0.030 . 1 . . . . 22 THR H . 10081 1 174 . 1 1 22 22 THR HA H 1 4.648 0.030 . 1 . . . . 22 THR HA . 10081 1 175 . 1 1 22 22 THR HB H 1 4.017 0.030 . 1 . . . . 22 THR HB . 10081 1 176 . 1 1 22 22 THR HG21 H 1 0.925 0.030 . 1 . . . . 22 THR HG2 . 10081 1 177 . 1 1 22 22 THR HG22 H 1 0.925 0.030 . 1 . . . . 22 THR HG2 . 10081 1 178 . 1 1 22 22 THR HG23 H 1 0.925 0.030 . 1 . . . . 22 THR HG2 . 10081 1 179 . 1 1 22 22 THR C C 13 174.555 0.300 . 1 . . . . 22 THR C . 10081 1 180 . 1 1 22 22 THR CA C 13 62.200 0.300 . 1 . . . . 22 THR CA . 10081 1 181 . 1 1 22 22 THR CB C 13 69.184 0.300 . 1 . . . . 22 THR CB . 10081 1 182 . 1 1 22 22 THR CG2 C 13 21.100 0.300 . 1 . . . . 22 THR CG2 . 10081 1 183 . 1 1 22 22 THR N N 15 117.553 0.300 . 1 . . . . 22 THR N . 10081 1 184 . 1 1 23 23 VAL H H 1 8.257 0.030 . 1 . . . . 23 VAL H . 10081 1 185 . 1 1 23 23 VAL HA H 1 3.694 0.030 . 1 . . . . 23 VAL HA . 10081 1 186 . 1 1 23 23 VAL HB H 1 2.367 0.030 . 1 . . . . 23 VAL HB . 10081 1 187 . 1 1 23 23 VAL HG11 H 1 0.957 0.030 . 1 . . . . 23 VAL HG1 . 10081 1 188 . 1 1 23 23 VAL HG12 H 1 0.957 0.030 . 1 . . . . 23 VAL HG1 . 10081 1 189 . 1 1 23 23 VAL HG13 H 1 0.957 0.030 . 1 . . . . 23 VAL HG1 . 10081 1 190 . 1 1 23 23 VAL HG21 H 1 0.849 0.030 . 1 . . . . 23 VAL HG2 . 10081 1 191 . 1 1 23 23 VAL HG22 H 1 0.849 0.030 . 1 . . . . 23 VAL HG2 . 10081 1 192 . 1 1 23 23 VAL HG23 H 1 0.849 0.030 . 1 . . . . 23 VAL HG2 . 10081 1 193 . 1 1 23 23 VAL C C 13 175.295 0.300 . 1 . . . . 23 VAL C . 10081 1 194 . 1 1 23 23 VAL CA C 13 63.786 0.300 . 1 . . . . 23 VAL CA . 10081 1 195 . 1 1 23 23 VAL CB C 13 31.556 0.300 . 1 . . . . 23 VAL CB . 10081 1 196 . 1 1 23 23 VAL CG1 C 13 21.028 0.300 . 2 . . . . 23 VAL CG1 . 10081 1 197 . 1 1 23 23 VAL CG2 C 13 23.218 0.300 . 2 . . . . 23 VAL CG2 . 10081 1 198 . 1 1 23 23 VAL N N 15 130.244 0.300 . 1 . . . . 23 VAL N . 10081 1 199 . 1 1 24 24 GLU H H 1 8.418 0.030 . 1 . . . . 24 GLU H . 10081 1 200 . 1 1 24 24 GLU HA H 1 4.593 0.030 . 1 . . . . 24 GLU HA . 10081 1 201 . 1 1 24 24 GLU HB2 H 1 2.075 0.030 . 2 . . . . 24 GLU HB2 . 10081 1 202 . 1 1 24 24 GLU HB3 H 1 1.999 0.030 . 2 . . . . 24 GLU HB3 . 10081 1 203 . 1 1 24 24 GLU HG2 H 1 2.508 0.030 . 2 . . . . 24 GLU HG2 . 10081 1 204 . 1 1 24 24 GLU HG3 H 1 2.464 0.030 . 2 . . . . 24 GLU HG3 . 10081 1 205 . 1 1 24 24 GLU C C 13 175.987 0.300 . 1 . . . . 24 GLU C . 10081 1 206 . 1 1 24 24 GLU CA C 13 55.218 0.300 . 1 . . . . 24 GLU CA . 10081 1 207 . 1 1 24 24 GLU CB C 13 28.656 0.300 . 1 . . . . 24 GLU CB . 10081 1 208 . 1 1 24 24 GLU CG C 13 34.103 0.300 . 1 . . . . 24 GLU CG . 10081 1 209 . 1 1 24 24 GLU N N 15 130.182 0.300 . 1 . . . . 24 GLU N . 10081 1 210 . 1 1 25 25 GLU H H 1 8.884 0.030 . 1 . . . . 25 GLU H . 10081 1 211 . 1 1 25 25 GLU HA H 1 3.997 0.030 . 1 . . . . 25 GLU HA . 10081 1 212 . 1 1 25 25 GLU HB2 H 1 2.078 0.030 . 2 . . . . 25 GLU HB2 . 10081 1 213 . 1 1 25 25 GLU HB3 H 1 2.001 0.030 . 2 . . . . 25 GLU HB3 . 10081 1 214 . 1 1 25 25 GLU HG2 H 1 2.448 0.030 . 2 . . . . 25 GLU HG2 . 10081 1 215 . 1 1 25 25 GLU HG3 H 1 2.385 0.030 . 2 . . . . 25 GLU HG3 . 10081 1 216 . 1 1 25 25 GLU C C 13 177.093 0.300 . 1 . . . . 25 GLU C . 10081 1 217 . 1 1 25 25 GLU CA C 13 58.251 0.300 . 1 . . . . 25 GLU CA . 10081 1 218 . 1 1 25 25 GLU CB C 13 28.527 0.300 . 1 . . . . 25 GLU CB . 10081 1 219 . 1 1 25 25 GLU CG C 13 33.885 0.300 . 1 . . . . 25 GLU CG . 10081 1 220 . 1 1 25 25 GLU N N 15 122.626 0.300 . 1 . . . . 25 GLU N . 10081 1 221 . 1 1 26 26 GLY H H 1 8.567 0.030 . 1 . . . . 26 GLY H . 10081 1 222 . 1 1 26 26 GLY HA2 H 1 3.999 0.030 . 2 . . . . 26 GLY HA2 . 10081 1 223 . 1 1 26 26 GLY HA3 H 1 3.891 0.030 . 2 . . . . 26 GLY HA3 . 10081 1 224 . 1 1 26 26 GLY C C 13 173.802 0.300 . 1 . . . . 26 GLY C . 10081 1 225 . 1 1 26 26 GLY CA C 13 45.326 0.300 . 1 . . . . 26 GLY CA . 10081 1 226 . 1 1 26 26 GLY N N 15 109.287 0.300 . 1 . . . . 26 GLY N . 10081 1 227 . 1 1 27 27 ASP H H 1 7.929 0.030 . 1 . . . . 27 ASP H . 10081 1 228 . 1 1 27 27 ASP HA H 1 4.760 0.030 . 1 . . . . 27 ASP HA . 10081 1 229 . 1 1 27 27 ASP HB2 H 1 2.746 0.030 . 2 . . . . 27 ASP HB2 . 10081 1 230 . 1 1 27 27 ASP HB3 H 1 2.623 0.030 . 2 . . . . 27 ASP HB3 . 10081 1 231 . 1 1 27 27 ASP C C 13 175.028 0.300 . 1 . . . . 27 ASP C . 10081 1 232 . 1 1 27 27 ASP CA C 13 53.278 0.300 . 1 . . . . 27 ASP CA . 10081 1 233 . 1 1 27 27 ASP CB C 13 39.284 0.300 . 1 . . . . 27 ASP CB . 10081 1 234 . 1 1 27 27 ASP N N 15 120.278 0.300 . 1 . . . . 27 ASP N . 10081 1 235 . 1 1 28 28 LEU H H 1 8.467 0.030 . 1 . . . . 28 LEU H . 10081 1 236 . 1 1 28 28 LEU HA H 1 4.130 0.030 . 1 . . . . 28 LEU HA . 10081 1 237 . 1 1 28 28 LEU HB2 H 1 1.406 0.030 . 2 . . . . 28 LEU HB2 . 10081 1 238 . 1 1 28 28 LEU HB3 H 1 0.966 0.030 . 2 . . . . 28 LEU HB3 . 10081 1 239 . 1 1 28 28 LEU HG H 1 1.491 0.030 . 1 . . . . 28 LEU HG . 10081 1 240 . 1 1 28 28 LEU HD11 H 1 0.721 0.030 . 1 . . . . 28 LEU HD1 . 10081 1 241 . 1 1 28 28 LEU HD12 H 1 0.721 0.030 . 1 . . . . 28 LEU HD1 . 10081 1 242 . 1 1 28 28 LEU HD13 H 1 0.721 0.030 . 1 . . . . 28 LEU HD1 . 10081 1 243 . 1 1 28 28 LEU HD21 H 1 0.784 0.030 . 1 . . . . 28 LEU HD2 . 10081 1 244 . 1 1 28 28 LEU HD22 H 1 0.784 0.030 . 1 . . . . 28 LEU HD2 . 10081 1 245 . 1 1 28 28 LEU HD23 H 1 0.784 0.030 . 1 . . . . 28 LEU HD2 . 10081 1 246 . 1 1 28 28 LEU C C 13 178.125 0.300 . 1 . . . . 28 LEU C . 10081 1 247 . 1 1 28 28 LEU CA C 13 57.496 0.300 . 1 . . . . 28 LEU CA . 10081 1 248 . 1 1 28 28 LEU CB C 13 42.663 0.300 . 1 . . . . 28 LEU CB . 10081 1 249 . 1 1 28 28 LEU CG C 13 27.011 0.300 . 1 . . . . 28 LEU CG . 10081 1 250 . 1 1 28 28 LEU CD1 C 13 25.623 0.300 . 2 . . . . 28 LEU CD1 . 10081 1 251 . 1 1 28 28 LEU CD2 C 13 24.388 0.300 . 2 . . . . 28 LEU CD2 . 10081 1 252 . 1 1 28 28 LEU N N 15 124.023 0.300 . 1 . . . . 28 LEU N . 10081 1 253 . 1 1 29 29 GLY H H 1 8.392 0.030 . 1 . . . . 29 GLY H . 10081 1 254 . 1 1 29 29 GLY HA2 H 1 4.538 0.030 . 2 . . . . 29 GLY HA2 . 10081 1 255 . 1 1 29 29 GLY HA3 H 1 3.858 0.030 . 2 . . . . 29 GLY HA3 . 10081 1 256 . 1 1 29 29 GLY C C 13 173.583 0.300 . 1 . . . . 29 GLY C . 10081 1 257 . 1 1 29 29 GLY CA C 13 45.803 0.300 . 1 . . . . 29 GLY CA . 10081 1 258 . 1 1 29 29 GLY N N 15 101.130 0.300 . 1 . . . . 29 GLY N . 10081 1 259 . 1 1 30 30 PHE H H 1 7.114 0.030 . 1 . . . . 30 PHE H . 10081 1 260 . 1 1 30 30 PHE HA H 1 5.278 0.030 . 1 . . . . 30 PHE HA . 10081 1 261 . 1 1 30 30 PHE HB2 H 1 2.876 0.030 . 2 . . . . 30 PHE HB2 . 10081 1 262 . 1 1 30 30 PHE HB3 H 1 2.758 0.030 . 2 . . . . 30 PHE HB3 . 10081 1 263 . 1 1 30 30 PHE HD1 H 1 6.943 0.030 . 1 . . . . 30 PHE HD1 . 10081 1 264 . 1 1 30 30 PHE HD2 H 1 6.943 0.030 . 1 . . . . 30 PHE HD2 . 10081 1 265 . 1 1 30 30 PHE HE1 H 1 7.066 0.030 . 1 . . . . 30 PHE HE1 . 10081 1 266 . 1 1 30 30 PHE HE2 H 1 7.066 0.030 . 1 . . . . 30 PHE HE2 . 10081 1 267 . 1 1 30 30 PHE HZ H 1 7.069 0.030 . 1 . . . . 30 PHE HZ . 10081 1 268 . 1 1 30 30 PHE C C 13 172.187 0.300 . 1 . . . . 30 PHE C . 10081 1 269 . 1 1 30 30 PHE CA C 13 54.848 0.300 . 1 . . . . 30 PHE CA . 10081 1 270 . 1 1 30 30 PHE CB C 13 42.198 0.300 . 1 . . . . 30 PHE CB . 10081 1 271 . 1 1 30 30 PHE CD1 C 13 133.020 0.300 . 1 . . . . 30 PHE CD1 . 10081 1 272 . 1 1 30 30 PHE CD2 C 13 133.020 0.300 . 1 . . . . 30 PHE CD2 . 10081 1 273 . 1 1 30 30 PHE CE1 C 13 130.485 0.300 . 1 . . . . 30 PHE CE1 . 10081 1 274 . 1 1 30 30 PHE CE2 C 13 130.485 0.300 . 1 . . . . 30 PHE CE2 . 10081 1 275 . 1 1 30 30 PHE CZ C 13 128.389 0.300 . 1 . . . . 30 PHE CZ . 10081 1 276 . 1 1 30 30 PHE N N 15 113.347 0.300 . 1 . . . . 30 PHE N . 10081 1 277 . 1 1 31 31 THR H H 1 9.477 0.030 . 1 . . . . 31 THR H . 10081 1 278 . 1 1 31 31 THR HA H 1 4.602 0.030 . 1 . . . . 31 THR HA . 10081 1 279 . 1 1 31 31 THR HB H 1 4.235 0.030 . 1 . . . . 31 THR HB . 10081 1 280 . 1 1 31 31 THR HG21 H 1 1.258 0.030 . 1 . . . . 31 THR HG2 . 10081 1 281 . 1 1 31 31 THR HG22 H 1 1.258 0.030 . 1 . . . . 31 THR HG2 . 10081 1 282 . 1 1 31 31 THR HG23 H 1 1.258 0.030 . 1 . . . . 31 THR HG2 . 10081 1 283 . 1 1 31 31 THR C C 13 172.017 0.300 . 1 . . . . 31 THR C . 10081 1 284 . 1 1 31 31 THR CA C 13 58.833 0.300 . 1 . . . . 31 THR CA . 10081 1 285 . 1 1 31 31 THR CB C 13 70.884 0.300 . 1 . . . . 31 THR CB . 10081 1 286 . 1 1 31 31 THR CG2 C 13 21.165 0.300 . 1 . . . . 31 THR CG2 . 10081 1 287 . 1 1 31 31 THR N N 15 113.312 0.300 . 1 . . . . 31 THR N . 10081 1 288 . 1 1 32 32 LEU H H 1 8.128 0.030 . 1 . . . . 32 LEU H . 10081 1 289 . 1 1 32 32 LEU HA H 1 5.610 0.030 . 1 . . . . 32 LEU HA . 10081 1 290 . 1 1 32 32 LEU HB2 H 1 1.876 0.030 . 2 . . . . 32 LEU HB2 . 10081 1 291 . 1 1 32 32 LEU HB3 H 1 1.279 0.030 . 2 . . . . 32 LEU HB3 . 10081 1 292 . 1 1 32 32 LEU HG H 1 1.739 0.030 . 1 . . . . 32 LEU HG . 10081 1 293 . 1 1 32 32 LEU HD11 H 1 1.009 0.030 . 1 . . . . 32 LEU HD1 . 10081 1 294 . 1 1 32 32 LEU HD12 H 1 1.009 0.030 . 1 . . . . 32 LEU HD1 . 10081 1 295 . 1 1 32 32 LEU HD13 H 1 1.009 0.030 . 1 . . . . 32 LEU HD1 . 10081 1 296 . 1 1 32 32 LEU HD21 H 1 0.866 0.030 . 1 . . . . 32 LEU HD2 . 10081 1 297 . 1 1 32 32 LEU HD22 H 1 0.866 0.030 . 1 . . . . 32 LEU HD2 . 10081 1 298 . 1 1 32 32 LEU HD23 H 1 0.866 0.030 . 1 . . . . 32 LEU HD2 . 10081 1 299 . 1 1 32 32 LEU C C 13 176.036 0.300 . 1 . . . . 32 LEU C . 10081 1 300 . 1 1 32 32 LEU CA C 13 52.626 0.300 . 1 . . . . 32 LEU CA . 10081 1 301 . 1 1 32 32 LEU CB C 13 45.108 0.300 . 1 . . . . 32 LEU CB . 10081 1 302 . 1 1 32 32 LEU CG C 13 27.127 0.300 . 1 . . . . 32 LEU CG . 10081 1 303 . 1 1 32 32 LEU CD1 C 13 27.058 0.300 . 2 . . . . 32 LEU CD1 . 10081 1 304 . 1 1 32 32 LEU CD2 C 13 23.922 0.300 . 2 . . . . 32 LEU CD2 . 10081 1 305 . 1 1 32 32 LEU N N 15 119.900 0.300 . 1 . . . . 32 LEU N . 10081 1 306 . 1 1 33 33 ARG H H 1 9.211 0.030 . 1 . . . . 33 ARG H . 10081 1 307 . 1 1 33 33 ARG HA H 1 4.771 0.030 . 1 . . . . 33 ARG HA . 10081 1 308 . 1 1 33 33 ARG HB2 H 1 1.861 0.030 . 2 . . . . 33 ARG HB2 . 10081 1 309 . 1 1 33 33 ARG HB3 H 1 1.669 0.030 . 2 . . . . 33 ARG HB3 . 10081 1 310 . 1 1 33 33 ARG HG2 H 1 1.476 0.030 . 2 . . . . 33 ARG HG2 . 10081 1 311 . 1 1 33 33 ARG HG3 H 1 1.440 0.030 . 2 . . . . 33 ARG HG3 . 10081 1 312 . 1 1 33 33 ARG HD2 H 1 2.974 0.030 . 1 . . . . 33 ARG HD2 . 10081 1 313 . 1 1 33 33 ARG HD3 H 1 2.974 0.030 . 1 . . . . 33 ARG HD3 . 10081 1 314 . 1 1 33 33 ARG HE H 1 7.016 0.030 . 1 . . . . 33 ARG HE . 10081 1 315 . 1 1 33 33 ARG C C 13 174.967 0.300 . 1 . . . . 33 ARG C . 10081 1 316 . 1 1 33 33 ARG CA C 13 54.301 0.300 . 1 . . . . 33 ARG CA . 10081 1 317 . 1 1 33 33 ARG CB C 13 33.926 0.300 . 1 . . . . 33 ARG CB . 10081 1 318 . 1 1 33 33 ARG CG C 13 26.550 0.300 . 1 . . . . 33 ARG CG . 10081 1 319 . 1 1 33 33 ARG CD C 13 43.776 0.300 . 1 . . . . 33 ARG CD . 10081 1 320 . 1 1 33 33 ARG N N 15 120.543 0.300 . 1 . . . . 33 ARG N . 10081 1 321 . 1 1 33 33 ARG NE N 15 83.888 0.300 . 1 . . . . 33 ARG NE . 10081 1 322 . 1 1 34 34 GLY H H 1 8.435 0.030 . 1 . . . . 34 GLY H . 10081 1 323 . 1 1 34 34 GLY HA2 H 1 4.392 0.030 . 2 . . . . 34 GLY HA2 . 10081 1 324 . 1 1 34 34 GLY HA3 H 1 3.758 0.030 . 2 . . . . 34 GLY HA3 . 10081 1 325 . 1 1 34 34 GLY C C 13 172.915 0.300 . 1 . . . . 34 GLY C . 10081 1 326 . 1 1 34 34 GLY CA C 13 44.974 0.300 . 1 . . . . 34 GLY CA . 10081 1 327 . 1 1 34 34 GLY N N 15 107.350 0.300 . 1 . . . . 34 GLY N . 10081 1 328 . 1 1 35 35 ASN H H 1 8.012 0.030 . 1 . . . . 35 ASN H . 10081 1 329 . 1 1 35 35 ASN HA H 1 4.794 0.030 . 1 . . . . 35 ASN HA . 10081 1 330 . 1 1 35 35 ASN HB2 H 1 2.895 0.030 . 2 . . . . 35 ASN HB2 . 10081 1 331 . 1 1 35 35 ASN HB3 H 1 2.782 0.030 . 2 . . . . 35 ASN HB3 . 10081 1 332 . 1 1 35 35 ASN HD21 H 1 7.643 0.030 . 2 . . . . 35 ASN HD21 . 10081 1 333 . 1 1 35 35 ASN HD22 H 1 6.971 0.030 . 2 . . . . 35 ASN HD22 . 10081 1 334 . 1 1 35 35 ASN C C 13 173.777 0.300 . 1 . . . . 35 ASN C . 10081 1 335 . 1 1 35 35 ASN CA C 13 53.755 0.300 . 1 . . . . 35 ASN CA . 10081 1 336 . 1 1 35 35 ASN CB C 13 41.045 0.300 . 1 . . . . 35 ASN CB . 10081 1 337 . 1 1 35 35 ASN N N 15 116.545 0.300 . 1 . . . . 35 ASN N . 10081 1 338 . 1 1 35 35 ASN ND2 N 15 113.671 0.300 . 1 . . . . 35 ASN ND2 . 10081 1 339 . 1 1 36 36 THR H H 1 7.820 0.030 . 1 . . . . 36 THR H . 10081 1 340 . 1 1 36 36 THR HA H 1 4.153 0.030 . 1 . . . . 36 THR HA . 10081 1 341 . 1 1 36 36 THR HB H 1 4.303 0.030 . 1 . . . . 36 THR HB . 10081 1 342 . 1 1 36 36 THR HG21 H 1 1.107 0.030 . 1 . . . . 36 THR HG2 . 10081 1 343 . 1 1 36 36 THR HG22 H 1 1.107 0.030 . 1 . . . . 36 THR HG2 . 10081 1 344 . 1 1 36 36 THR HG23 H 1 1.107 0.030 . 1 . . . . 36 THR HG2 . 10081 1 345 . 1 1 36 36 THR C C 13 173.122 0.300 . 1 . . . . 36 THR C . 10081 1 346 . 1 1 36 36 THR CA C 13 59.468 0.300 . 1 . . . . 36 THR CA . 10081 1 347 . 1 1 36 36 THR CB C 13 70.755 0.300 . 1 . . . . 36 THR CB . 10081 1 348 . 1 1 36 36 THR CG2 C 13 21.268 0.300 . 1 . . . . 36 THR CG2 . 10081 1 349 . 1 1 36 36 THR N N 15 110.716 0.300 . 1 . . . . 36 THR N . 10081 1 350 . 1 1 37 37 PRO HA H 1 4.880 0.030 . 1 . . . . 37 PRO HA . 10081 1 351 . 1 1 37 37 PRO HB2 H 1 2.141 0.030 . 2 . . . . 37 PRO HB2 . 10081 1 352 . 1 1 37 37 PRO HB3 H 1 2.364 0.030 . 2 . . . . 37 PRO HB3 . 10081 1 353 . 1 1 37 37 PRO HG2 H 1 1.420 0.030 . 2 . . . . 37 PRO HG2 . 10081 1 354 . 1 1 37 37 PRO HG3 H 1 1.295 0.030 . 2 . . . . 37 PRO HG3 . 10081 1 355 . 1 1 37 37 PRO HD2 H 1 3.607 0.030 . 2 . . . . 37 PRO HD2 . 10081 1 356 . 1 1 37 37 PRO HD3 H 1 3.345 0.030 . 2 . . . . 37 PRO HD3 . 10081 1 357 . 1 1 37 37 PRO CA C 13 62.847 0.300 . 1 . . . . 37 PRO CA . 10081 1 358 . 1 1 37 37 PRO CB C 13 34.596 0.300 . 1 . . . . 37 PRO CB . 10081 1 359 . 1 1 37 37 PRO CG C 13 24.451 0.300 . 1 . . . . 37 PRO CG . 10081 1 360 . 1 1 37 37 PRO CD C 13 50.068 0.300 . 1 . . . . 37 PRO CD . 10081 1 361 . 1 1 38 38 VAL H H 1 9.247 0.030 . 1 . . . . 38 VAL H . 10081 1 362 . 1 1 38 38 VAL HA H 1 4.275 0.030 . 1 . . . . 38 VAL HA . 10081 1 363 . 1 1 38 38 VAL HB H 1 2.173 0.030 . 1 . . . . 38 VAL HB . 10081 1 364 . 1 1 38 38 VAL HG11 H 1 1.028 0.030 . 1 . . . . 38 VAL HG1 . 10081 1 365 . 1 1 38 38 VAL HG12 H 1 1.028 0.030 . 1 . . . . 38 VAL HG1 . 10081 1 366 . 1 1 38 38 VAL HG13 H 1 1.028 0.030 . 1 . . . . 38 VAL HG1 . 10081 1 367 . 1 1 38 38 VAL HG21 H 1 1.060 0.030 . 1 . . . . 38 VAL HG2 . 10081 1 368 . 1 1 38 38 VAL HG22 H 1 1.060 0.030 . 1 . . . . 38 VAL HG2 . 10081 1 369 . 1 1 38 38 VAL HG23 H 1 1.060 0.030 . 1 . . . . 38 VAL HG2 . 10081 1 370 . 1 1 38 38 VAL C C 13 174.652 0.300 . 1 . . . . 38 VAL C . 10081 1 371 . 1 1 38 38 VAL CA C 13 61.301 0.300 . 1 . . . . 38 VAL CA . 10081 1 372 . 1 1 38 38 VAL CB C 13 32.626 0.300 . 1 . . . . 38 VAL CB . 10081 1 373 . 1 1 38 38 VAL CG1 C 13 22.677 0.300 . 2 . . . . 38 VAL CG1 . 10081 1 374 . 1 1 38 38 VAL CG2 C 13 20.802 0.300 . 2 . . . . 38 VAL CG2 . 10081 1 375 . 1 1 38 38 VAL N N 15 114.808 0.300 . 1 . . . . 38 VAL N . 10081 1 376 . 1 1 39 39 GLN H H 1 8.698 0.030 . 1 . . . . 39 GLN H . 10081 1 377 . 1 1 39 39 GLN HA H 1 5.137 0.030 . 1 . . . . 39 GLN HA . 10081 1 378 . 1 1 39 39 GLN HB2 H 1 1.422 0.030 . 1 . . . . 39 GLN HB2 . 10081 1 379 . 1 1 39 39 GLN HB3 H 1 1.422 0.030 . 1 . . . . 39 GLN HB3 . 10081 1 380 . 1 1 39 39 GLN HG2 H 1 1.418 0.030 . 2 . . . . 39 GLN HG2 . 10081 1 381 . 1 1 39 39 GLN HG3 H 1 1.333 0.030 . 2 . . . . 39 GLN HG3 . 10081 1 382 . 1 1 39 39 GLN C C 13 175.708 0.300 . 1 . . . . 39 GLN C . 10081 1 383 . 1 1 39 39 GLN CA C 13 53.261 0.300 . 1 . . . . 39 GLN CA . 10081 1 384 . 1 1 39 39 GLN CB C 13 34.681 0.300 . 1 . . . . 39 GLN CB . 10081 1 385 . 1 1 39 39 GLN CG C 13 34.693 0.300 . 1 . . . . 39 GLN CG . 10081 1 386 . 1 1 39 39 GLN N N 15 118.800 0.300 . 1 . . . . 39 GLN N . 10081 1 387 . 1 1 40 40 VAL H H 1 8.551 0.030 . 1 . . . . 40 VAL H . 10081 1 388 . 1 1 40 40 VAL HA H 1 3.939 0.030 . 1 . . . . 40 VAL HA . 10081 1 389 . 1 1 40 40 VAL HB H 1 1.444 0.030 . 1 . . . . 40 VAL HB . 10081 1 390 . 1 1 40 40 VAL HG11 H 1 -0.149 0.030 . 1 . . . . 40 VAL HG1 . 10081 1 391 . 1 1 40 40 VAL HG12 H 1 -0.149 0.030 . 1 . . . . 40 VAL HG1 . 10081 1 392 . 1 1 40 40 VAL HG13 H 1 -0.149 0.030 . 1 . . . . 40 VAL HG1 . 10081 1 393 . 1 1 40 40 VAL HG21 H 1 0.340 0.030 . 1 . . . . 40 VAL HG2 . 10081 1 394 . 1 1 40 40 VAL HG22 H 1 0.340 0.030 . 1 . . . . 40 VAL HG2 . 10081 1 395 . 1 1 40 40 VAL HG23 H 1 0.340 0.030 . 1 . . . . 40 VAL HG2 . 10081 1 396 . 1 1 40 40 VAL C C 13 175.514 0.300 . 1 . . . . 40 VAL C . 10081 1 397 . 1 1 40 40 VAL CA C 13 62.447 0.300 . 1 . . . . 40 VAL CA . 10081 1 398 . 1 1 40 40 VAL CB C 13 33.130 0.300 . 1 . . . . 40 VAL CB . 10081 1 399 . 1 1 40 40 VAL CG1 C 13 21.077 0.300 . 2 . . . . 40 VAL CG1 . 10081 1 400 . 1 1 40 40 VAL CG2 C 13 21.303 0.300 . 2 . . . . 40 VAL CG2 . 10081 1 401 . 1 1 40 40 VAL N N 15 120.220 0.300 . 1 . . . . 40 VAL N . 10081 1 402 . 1 1 41 41 HIS H H 1 8.616 0.030 . 1 . . . . 41 HIS H . 10081 1 403 . 1 1 41 41 HIS HA H 1 5.288 0.030 . 1 . . . . 41 HIS HA . 10081 1 404 . 1 1 41 41 HIS HB2 H 1 2.994 0.030 . 2 . . . . 41 HIS HB2 . 10081 1 405 . 1 1 41 41 HIS HB3 H 1 2.645 0.030 . 2 . . . . 41 HIS HB3 . 10081 1 406 . 1 1 41 41 HIS HD2 H 1 6.818 0.030 . 1 . . . . 41 HIS HD2 . 10081 1 407 . 1 1 41 41 HIS C C 13 173.498 0.300 . 1 . . . . 41 HIS C . 10081 1 408 . 1 1 41 41 HIS CA C 13 52.891 0.300 . 1 . . . . 41 HIS CA . 10081 1 409 . 1 1 41 41 HIS CB C 13 30.011 0.300 . 1 . . . . 41 HIS CB . 10081 1 410 . 1 1 41 41 HIS CD2 C 13 119.244 0.300 . 1 . . . . 41 HIS CD2 . 10081 1 411 . 1 1 41 41 HIS N N 15 125.705 0.300 . 1 . . . . 41 HIS N . 10081 1 412 . 1 1 42 42 PHE H H 1 9.965 0.030 . 1 . . . . 42 PHE H . 10081 1 413 . 1 1 42 42 PHE HA H 1 4.378 0.030 . 1 . . . . 42 PHE HA . 10081 1 414 . 1 1 42 42 PHE HB2 H 1 2.854 0.030 . 2 . . . . 42 PHE HB2 . 10081 1 415 . 1 1 42 42 PHE HB3 H 1 2.672 0.030 . 2 . . . . 42 PHE HB3 . 10081 1 416 . 1 1 42 42 PHE HD1 H 1 7.208 0.030 . 1 . . . . 42 PHE HD1 . 10081 1 417 . 1 1 42 42 PHE HD2 H 1 7.208 0.030 . 1 . . . . 42 PHE HD2 . 10081 1 418 . 1 1 42 42 PHE HE1 H 1 6.733 0.030 . 1 . . . . 42 PHE HE1 . 10081 1 419 . 1 1 42 42 PHE HE2 H 1 6.733 0.030 . 1 . . . . 42 PHE HE2 . 10081 1 420 . 1 1 42 42 PHE HZ H 1 6.384 0.030 . 1 . . . . 42 PHE HZ . 10081 1 421 . 1 1 42 42 PHE C C 13 175.089 0.300 . 1 . . . . 42 PHE C . 10081 1 422 . 1 1 42 42 PHE CA C 13 60.297 0.300 . 1 . . . . 42 PHE CA . 10081 1 423 . 1 1 42 42 PHE CB C 13 38.841 0.300 . 1 . . . . 42 PHE CB . 10081 1 424 . 1 1 42 42 PHE CD1 C 13 130.831 0.300 . 1 . . . . 42 PHE CD1 . 10081 1 425 . 1 1 42 42 PHE CD2 C 13 130.831 0.300 . 1 . . . . 42 PHE CD2 . 10081 1 426 . 1 1 42 42 PHE CE1 C 13 130.716 0.300 . 1 . . . . 42 PHE CE1 . 10081 1 427 . 1 1 42 42 PHE CE2 C 13 130.716 0.300 . 1 . . . . 42 PHE CE2 . 10081 1 428 . 1 1 42 42 PHE CZ C 13 128.212 0.300 . 1 . . . . 42 PHE CZ . 10081 1 429 . 1 1 42 42 PHE N N 15 126.475 0.300 . 1 . . . . 42 PHE N . 10081 1 430 . 1 1 43 43 LEU H H 1 8.597 0.030 . 1 . . . . 43 LEU H . 10081 1 431 . 1 1 43 43 LEU HA H 1 4.321 0.030 . 1 . . . . 43 LEU HA . 10081 1 432 . 1 1 43 43 LEU HB2 H 1 1.579 0.030 . 2 . . . . 43 LEU HB2 . 10081 1 433 . 1 1 43 43 LEU HB3 H 1 1.421 0.030 . 2 . . . . 43 LEU HB3 . 10081 1 434 . 1 1 43 43 LEU HG H 1 1.482 0.030 . 1 . . . . 43 LEU HG . 10081 1 435 . 1 1 43 43 LEU HD11 H 1 0.834 0.030 . 1 . . . . 43 LEU HD1 . 10081 1 436 . 1 1 43 43 LEU HD12 H 1 0.834 0.030 . 1 . . . . 43 LEU HD1 . 10081 1 437 . 1 1 43 43 LEU HD13 H 1 0.834 0.030 . 1 . . . . 43 LEU HD1 . 10081 1 438 . 1 1 43 43 LEU HD21 H 1 0.843 0.030 . 1 . . . . 43 LEU HD2 . 10081 1 439 . 1 1 43 43 LEU HD22 H 1 0.843 0.030 . 1 . . . . 43 LEU HD2 . 10081 1 440 . 1 1 43 43 LEU HD23 H 1 0.843 0.030 . 1 . . . . 43 LEU HD2 . 10081 1 441 . 1 1 43 43 LEU C C 13 177.129 0.300 . 1 . . . . 43 LEU C . 10081 1 442 . 1 1 43 43 LEU CA C 13 55.130 0.300 . 1 . . . . 43 LEU CA . 10081 1 443 . 1 1 43 43 LEU CB C 13 42.374 0.300 . 1 . . . . 43 LEU CB . 10081 1 444 . 1 1 43 43 LEU CG C 13 27.704 0.300 . 1 . . . . 43 LEU CG . 10081 1 445 . 1 1 43 43 LEU CD1 C 13 25.232 0.300 . 2 . . . . 43 LEU CD1 . 10081 1 446 . 1 1 43 43 LEU CD2 C 13 22.836 0.300 . 2 . . . . 43 LEU CD2 . 10081 1 447 . 1 1 43 43 LEU N N 15 121.661 0.300 . 1 . . . . 43 LEU N . 10081 1 448 . 1 1 44 44 ASP H H 1 7.922 0.030 . 1 . . . . 44 ASP H . 10081 1 449 . 1 1 44 44 ASP HA H 1 5.165 0.030 . 1 . . . . 44 ASP HA . 10081 1 450 . 1 1 44 44 ASP HB2 H 1 2.944 0.030 . 2 . . . . 44 ASP HB2 . 10081 1 451 . 1 1 44 44 ASP HB3 H 1 2.737 0.030 . 2 . . . . 44 ASP HB3 . 10081 1 452 . 1 1 44 44 ASP CA C 13 50.059 0.300 . 1 . . . . 44 ASP CA . 10081 1 453 . 1 1 44 44 ASP CB C 13 42.709 0.300 . 1 . . . . 44 ASP CB . 10081 1 454 . 1 1 44 44 ASP N N 15 117.653 0.300 . 1 . . . . 44 ASP N . 10081 1 455 . 1 1 45 45 PRO HA H 1 4.077 0.030 . 1 . . . . 45 PRO HA . 10081 1 456 . 1 1 45 45 PRO HB2 H 1 2.201 0.030 . 2 . . . . 45 PRO HB2 . 10081 1 457 . 1 1 45 45 PRO HB3 H 1 1.673 0.030 . 2 . . . . 45 PRO HB3 . 10081 1 458 . 1 1 45 45 PRO HG2 H 1 1.942 0.030 . 2 . . . . 45 PRO HG2 . 10081 1 459 . 1 1 45 45 PRO HG3 H 1 1.594 0.030 . 2 . . . . 45 PRO HG3 . 10081 1 460 . 1 1 45 45 PRO HD2 H 1 3.939 0.030 . 2 . . . . 45 PRO HD2 . 10081 1 461 . 1 1 45 45 PRO HD3 H 1 3.715 0.030 . 2 . . . . 45 PRO HD3 . 10081 1 462 . 1 1 45 45 PRO C C 13 176.740 0.300 . 1 . . . . 45 PRO C . 10081 1 463 . 1 1 45 45 PRO CA C 13 63.595 0.300 . 1 . . . . 45 PRO CA . 10081 1 464 . 1 1 45 45 PRO CB C 13 31.907 0.300 . 1 . . . . 45 PRO CB . 10081 1 465 . 1 1 45 45 PRO CG C 13 26.689 0.300 . 1 . . . . 45 PRO CG . 10081 1 466 . 1 1 45 45 PRO CD C 13 50.781 0.300 . 1 . . . . 45 PRO CD . 10081 1 467 . 1 1 46 46 HIS H H 1 8.633 0.030 . 1 . . . . 46 HIS H . 10081 1 468 . 1 1 46 46 HIS HA H 1 4.693 0.030 . 1 . . . . 46 HIS HA . 10081 1 469 . 1 1 46 46 HIS HB2 H 1 3.516 0.030 . 2 . . . . 46 HIS HB2 . 10081 1 470 . 1 1 46 46 HIS HB3 H 1 3.142 0.030 . 2 . . . . 46 HIS HB3 . 10081 1 471 . 1 1 46 46 HIS HD2 H 1 7.260 0.030 . 1 . . . . 46 HIS HD2 . 10081 1 472 . 1 1 46 46 HIS C C 13 173.340 0.300 . 1 . . . . 46 HIS C . 10081 1 473 . 1 1 46 46 HIS CA C 13 54.037 0.300 . 1 . . . . 46 HIS CA . 10081 1 474 . 1 1 46 46 HIS CB C 13 28.199 0.300 . 1 . . . . 46 HIS CB . 10081 1 475 . 1 1 46 46 HIS CD2 C 13 119.290 0.300 . 1 . . . . 46 HIS CD2 . 10081 1 476 . 1 1 46 46 HIS N N 15 117.291 0.300 . 1 . . . . 46 HIS N . 10081 1 477 . 1 1 47 47 CYS H H 1 7.303 0.030 . 1 . . . . 47 CYS H . 10081 1 478 . 1 1 47 47 CYS HA H 1 4.702 0.030 . 1 . . . . 47 CYS HA . 10081 1 479 . 1 1 47 47 CYS HB2 H 1 3.672 0.030 . 2 . . . . 47 CYS HB2 . 10081 1 480 . 1 1 47 47 CYS HB3 H 1 3.391 0.030 . 2 . . . . 47 CYS HB3 . 10081 1 481 . 1 1 47 47 CYS C C 13 174.433 0.300 . 1 . . . . 47 CYS C . 10081 1 482 . 1 1 47 47 CYS CA C 13 57.175 0.300 . 1 . . . . 47 CYS CA . 10081 1 483 . 1 1 47 47 CYS CB C 13 30.669 0.300 . 1 . . . . 47 CYS CB . 10081 1 484 . 1 1 47 47 CYS N N 15 115.169 0.300 . 1 . . . . 47 CYS N . 10081 1 485 . 1 1 48 48 SER H H 1 9.172 0.030 . 1 . . . . 48 SER H . 10081 1 486 . 1 1 48 48 SER HA H 1 4.135 0.030 . 1 . . . . 48 SER HA . 10081 1 487 . 1 1 48 48 SER HB2 H 1 4.285 0.030 . 1 . . . . 48 SER HB2 . 10081 1 488 . 1 1 48 48 SER HB3 H 1 4.285 0.030 . 1 . . . . 48 SER HB3 . 10081 1 489 . 1 1 48 48 SER C C 13 177.711 0.300 . 1 . . . . 48 SER C . 10081 1 490 . 1 1 48 48 SER CA C 13 62.500 0.300 . 1 . . . . 48 SER CA . 10081 1 491 . 1 1 48 48 SER CB C 13 62.922 0.300 . 1 . . . . 48 SER CB . 10081 1 492 . 1 1 48 48 SER N N 15 118.550 0.300 . 1 . . . . 48 SER N . 10081 1 493 . 1 1 49 49 ALA H H 1 9.018 0.030 . 1 . . . . 49 ALA H . 10081 1 494 . 1 1 49 49 ALA HA H 1 3.147 0.030 . 1 . . . . 49 ALA HA . 10081 1 495 . 1 1 49 49 ALA HB1 H 1 0.507 0.030 . 1 . . . . 49 ALA HB . 10081 1 496 . 1 1 49 49 ALA HB2 H 1 0.507 0.030 . 1 . . . . 49 ALA HB . 10081 1 497 . 1 1 49 49 ALA HB3 H 1 0.507 0.030 . 1 . . . . 49 ALA HB . 10081 1 498 . 1 1 49 49 ALA C C 13 177.785 0.300 . 1 . . . . 49 ALA C . 10081 1 499 . 1 1 49 49 ALA CA C 13 55.730 0.300 . 1 . . . . 49 ALA CA . 10081 1 500 . 1 1 49 49 ALA CB C 13 17.096 0.300 . 1 . . . . 49 ALA CB . 10081 1 501 . 1 1 49 49 ALA N N 15 123.093 0.300 . 1 . . . . 49 ALA N . 10081 1 502 . 1 1 50 50 SER H H 1 6.985 0.030 . 1 . . . . 50 SER H . 10081 1 503 . 1 1 50 50 SER HA H 1 4.216 0.030 . 1 . . . . 50 SER HA . 10081 1 504 . 1 1 50 50 SER HB2 H 1 2.514 0.030 . 2 . . . . 50 SER HB2 . 10081 1 505 . 1 1 50 50 SER HB3 H 1 3.530 0.030 . 2 . . . . 50 SER HB3 . 10081 1 506 . 1 1 50 50 SER C C 13 179.436 0.300 . 1 . . . . 50 SER C . 10081 1 507 . 1 1 50 50 SER CA C 13 58.992 0.300 . 1 . . . . 50 SER CA . 10081 1 508 . 1 1 50 50 SER CB C 13 62.369 0.300 . 1 . . . . 50 SER CB . 10081 1 509 . 1 1 50 50 SER N N 15 112.168 0.300 . 1 . . . . 50 SER N . 10081 1 510 . 1 1 51 51 LEU H H 1 8.161 0.030 . 1 . . . . 51 LEU H . 10081 1 511 . 1 1 51 51 LEU HA H 1 4.019 0.030 . 1 . . . . 51 LEU HA . 10081 1 512 . 1 1 51 51 LEU HB2 H 1 1.785 0.030 . 2 . . . . 51 LEU HB2 . 10081 1 513 . 1 1 51 51 LEU HB3 H 1 1.551 0.030 . 2 . . . . 51 LEU HB3 . 10081 1 514 . 1 1 51 51 LEU HG H 1 1.669 0.030 . 1 . . . . 51 LEU HG . 10081 1 515 . 1 1 51 51 LEU HD11 H 1 0.836 0.030 . 1 . . . . 51 LEU HD1 . 10081 1 516 . 1 1 51 51 LEU HD12 H 1 0.836 0.030 . 1 . . . . 51 LEU HD1 . 10081 1 517 . 1 1 51 51 LEU HD13 H 1 0.836 0.030 . 1 . . . . 51 LEU HD1 . 10081 1 518 . 1 1 51 51 LEU HD21 H 1 0.838 0.030 . 1 . . . . 51 LEU HD2 . 10081 1 519 . 1 1 51 51 LEU HD22 H 1 0.838 0.030 . 1 . . . . 51 LEU HD2 . 10081 1 520 . 1 1 51 51 LEU HD23 H 1 0.838 0.030 . 1 . . . . 51 LEU HD2 . 10081 1 521 . 1 1 51 51 LEU C C 13 178.950 0.300 . 1 . . . . 51 LEU C . 10081 1 522 . 1 1 51 51 LEU CA C 13 57.493 0.300 . 1 . . . . 51 LEU CA . 10081 1 523 . 1 1 51 51 LEU CB C 13 40.991 0.300 . 1 . . . . 51 LEU CB . 10081 1 524 . 1 1 51 51 LEU CG C 13 26.827 0.300 . 1 . . . . 51 LEU CG . 10081 1 525 . 1 1 51 51 LEU CD1 C 13 25.396 0.300 . 2 . . . . 51 LEU CD1 . 10081 1 526 . 1 1 51 51 LEU CD2 C 13 22.436 0.300 . 2 . . . . 51 LEU CD2 . 10081 1 527 . 1 1 51 51 LEU N N 15 120.979 0.300 . 1 . . . . 51 LEU N . 10081 1 528 . 1 1 52 52 ALA H H 1 7.646 0.030 . 1 . . . . 52 ALA H . 10081 1 529 . 1 1 52 52 ALA HA H 1 4.428 0.030 . 1 . . . . 52 ALA HA . 10081 1 530 . 1 1 52 52 ALA HB1 H 1 1.662 0.030 . 1 . . . . 52 ALA HB . 10081 1 531 . 1 1 52 52 ALA HB2 H 1 1.662 0.030 . 1 . . . . 52 ALA HB . 10081 1 532 . 1 1 52 52 ALA HB3 H 1 1.662 0.030 . 1 . . . . 52 ALA HB . 10081 1 533 . 1 1 52 52 ALA C C 13 177.821 0.300 . 1 . . . . 52 ALA C . 10081 1 534 . 1 1 52 52 ALA CA C 13 52.707 0.300 . 1 . . . . 52 ALA CA . 10081 1 535 . 1 1 52 52 ALA CB C 13 20.739 0.300 . 1 . . . . 52 ALA CB . 10081 1 536 . 1 1 52 52 ALA N N 15 118.073 0.300 . 1 . . . . 52 ALA N . 10081 1 537 . 1 1 53 53 GLY H H 1 7.581 0.030 . 1 . . . . 53 GLY H . 10081 1 538 . 1 1 53 53 GLY HA2 H 1 4.614 0.030 . 2 . . . . 53 GLY HA2 . 10081 1 539 . 1 1 53 53 GLY HA3 H 1 3.694 0.030 . 2 . . . . 53 GLY HA3 . 10081 1 540 . 1 1 53 53 GLY C C 13 175.708 0.300 . 1 . . . . 53 GLY C . 10081 1 541 . 1 1 53 53 GLY CA C 13 45.009 0.300 . 1 . . . . 53 GLY CA . 10081 1 542 . 1 1 53 53 GLY N N 15 103.680 0.300 . 1 . . . . 53 GLY N . 10081 1 543 . 1 1 54 54 ALA H H 1 8.021 0.030 . 1 . . . . 54 ALA H . 10081 1 544 . 1 1 54 54 ALA HA H 1 4.210 0.030 . 1 . . . . 54 ALA HA . 10081 1 545 . 1 1 54 54 ALA HB1 H 1 1.034 0.030 . 1 . . . . 54 ALA HB . 10081 1 546 . 1 1 54 54 ALA HB2 H 1 1.034 0.030 . 1 . . . . 54 ALA HB . 10081 1 547 . 1 1 54 54 ALA HB3 H 1 1.034 0.030 . 1 . . . . 54 ALA HB . 10081 1 548 . 1 1 54 54 ALA C C 13 174.967 0.300 . 1 . . . . 54 ALA C . 10081 1 549 . 1 1 54 54 ALA CA C 13 52.703 0.300 . 1 . . . . 54 ALA CA . 10081 1 550 . 1 1 54 54 ALA CB C 13 17.979 0.300 . 1 . . . . 54 ALA CB . 10081 1 551 . 1 1 54 54 ALA N N 15 124.288 0.300 . 1 . . . . 54 ALA N . 10081 1 552 . 1 1 55 55 LYS H H 1 8.948 0.030 . 1 . . . . 55 LYS H . 10081 1 553 . 1 1 55 55 LYS HA H 1 4.570 0.030 . 1 . . . . 55 LYS HA . 10081 1 554 . 1 1 55 55 LYS HB2 H 1 1.834 0.030 . 2 . . . . 55 LYS HB2 . 10081 1 555 . 1 1 55 55 LYS HB3 H 1 1.733 0.030 . 2 . . . . 55 LYS HB3 . 10081 1 556 . 1 1 55 55 LYS HG2 H 1 1.420 0.030 . 2 . . . . 55 LYS HG2 . 10081 1 557 . 1 1 55 55 LYS HG3 H 1 1.342 0.030 . 2 . . . . 55 LYS HG3 . 10081 1 558 . 1 1 55 55 LYS HD2 H 1 1.653 0.030 . 1 . . . . 55 LYS HD2 . 10081 1 559 . 1 1 55 55 LYS HD3 H 1 1.653 0.030 . 1 . . . . 55 LYS HD3 . 10081 1 560 . 1 1 55 55 LYS HE2 H 1 2.974 0.030 . 1 . . . . 55 LYS HE2 . 10081 1 561 . 1 1 55 55 LYS HE3 H 1 2.974 0.030 . 1 . . . . 55 LYS HE3 . 10081 1 562 . 1 1 55 55 LYS C C 13 175.526 0.300 . 1 . . . . 55 LYS C . 10081 1 563 . 1 1 55 55 LYS CA C 13 54.196 0.300 . 1 . . . . 55 LYS CA . 10081 1 564 . 1 1 55 55 LYS CB C 13 34.998 0.300 . 1 . . . . 55 LYS CB . 10081 1 565 . 1 1 55 55 LYS CG C 13 24.762 0.300 . 1 . . . . 55 LYS CG . 10081 1 566 . 1 1 55 55 LYS CD C 13 28.916 0.300 . 1 . . . . 55 LYS CD . 10081 1 567 . 1 1 55 55 LYS CE C 13 42.292 0.300 . 1 . . . . 55 LYS CE . 10081 1 568 . 1 1 55 55 LYS N N 15 121.809 0.300 . 1 . . . . 55 LYS N . 10081 1 569 . 1 1 56 56 GLU H H 1 8.624 0.030 . 1 . . . . 56 GLU H . 10081 1 570 . 1 1 56 56 GLU HA H 1 3.682 0.030 . 1 . . . . 56 GLU HA . 10081 1 571 . 1 1 56 56 GLU HB2 H 1 2.339 0.030 . 2 . . . . 56 GLU HB2 . 10081 1 572 . 1 1 56 56 GLU HB3 H 1 1.788 0.030 . 2 . . . . 56 GLU HB3 . 10081 1 573 . 1 1 56 56 GLU HG2 H 1 2.623 0.030 . 2 . . . . 56 GLU HG2 . 10081 1 574 . 1 1 56 56 GLU HG3 H 1 2.072 0.030 . 2 . . . . 56 GLU HG3 . 10081 1 575 . 1 1 56 56 GLU C C 13 178.088 0.300 . 1 . . . . 56 GLU C . 10081 1 576 . 1 1 56 56 GLU CA C 13 57.405 0.300 . 1 . . . . 56 GLU CA . 10081 1 577 . 1 1 56 56 GLU CB C 13 29.023 0.300 . 1 . . . . 56 GLU CB . 10081 1 578 . 1 1 56 56 GLU CG C 13 33.721 0.300 . 1 . . . . 56 GLU CG . 10081 1 579 . 1 1 56 56 GLU N N 15 121.761 0.300 . 1 . . . . 56 GLU N . 10081 1 580 . 1 1 57 57 GLY H H 1 8.471 0.030 . 1 . . . . 57 GLY H . 10081 1 581 . 1 1 57 57 GLY HA2 H 1 4.292 0.030 . 2 . . . . 57 GLY HA2 . 10081 1 582 . 1 1 57 57 GLY HA3 H 1 3.503 0.030 . 2 . . . . 57 GLY HA3 . 10081 1 583 . 1 1 57 57 GLY C C 13 174.482 0.300 . 1 . . . . 57 GLY C . 10081 1 584 . 1 1 57 57 GLY CA C 13 45.150 0.300 . 1 . . . . 57 GLY CA . 10081 1 585 . 1 1 57 57 GLY N N 15 117.017 0.300 . 1 . . . . 57 GLY N . 10081 1 586 . 1 1 58 58 ASP H H 1 8.067 0.030 . 1 . . . . 58 ASP H . 10081 1 587 . 1 1 58 58 ASP HA H 1 4.738 0.030 . 1 . . . . 58 ASP HA . 10081 1 588 . 1 1 58 58 ASP HB2 H 1 2.565 0.030 . 2 . . . . 58 ASP HB2 . 10081 1 589 . 1 1 58 58 ASP HB3 H 1 2.385 0.030 . 2 . . . . 58 ASP HB3 . 10081 1 590 . 1 1 58 58 ASP C C 13 174.992 0.300 . 1 . . . . 58 ASP C . 10081 1 591 . 1 1 58 58 ASP CA C 13 55.694 0.300 . 1 . . . . 58 ASP CA . 10081 1 592 . 1 1 58 58 ASP CB C 13 41.279 0.300 . 1 . . . . 58 ASP CB . 10081 1 593 . 1 1 58 58 ASP N N 15 122.720 0.300 . 1 . . . . 58 ASP N . 10081 1 594 . 1 1 59 59 TYR H H 1 9.076 0.030 . 1 . . . . 59 TYR H . 10081 1 595 . 1 1 59 59 TYR HA H 1 5.267 0.030 . 1 . . . . 59 TYR HA . 10081 1 596 . 1 1 59 59 TYR HB2 H 1 2.726 0.030 . 2 . . . . 59 TYR HB2 . 10081 1 597 . 1 1 59 59 TYR HB3 H 1 2.335 0.030 . 2 . . . . 59 TYR HB3 . 10081 1 598 . 1 1 59 59 TYR HD1 H 1 7.067 0.030 . 1 . . . . 59 TYR HD1 . 10081 1 599 . 1 1 59 59 TYR HD2 H 1 7.067 0.030 . 1 . . . . 59 TYR HD2 . 10081 1 600 . 1 1 59 59 TYR HE1 H 1 6.848 0.030 . 1 . . . . 59 TYR HE1 . 10081 1 601 . 1 1 59 59 TYR HE2 H 1 6.848 0.030 . 1 . . . . 59 TYR HE2 . 10081 1 602 . 1 1 59 59 TYR C C 13 176.741 0.300 . 1 . . . . 59 TYR C . 10081 1 603 . 1 1 59 59 TYR CA C 13 56.205 0.300 . 1 . . . . 59 TYR CA . 10081 1 604 . 1 1 59 59 TYR CB C 13 39.259 0.300 . 1 . . . . 59 TYR CB . 10081 1 605 . 1 1 59 59 TYR CD1 C 13 134.140 0.300 . 1 . . . . 59 TYR CD1 . 10081 1 606 . 1 1 59 59 TYR CD2 C 13 134.140 0.300 . 1 . . . . 59 TYR CD2 . 10081 1 607 . 1 1 59 59 TYR CE1 C 13 118.157 0.300 . 1 . . . . 59 TYR CE1 . 10081 1 608 . 1 1 59 59 TYR CE2 C 13 118.157 0.300 . 1 . . . . 59 TYR CE2 . 10081 1 609 . 1 1 59 59 TYR N N 15 117.873 0.300 . 1 . . . . 59 TYR N . 10081 1 610 . 1 1 60 60 ILE H H 1 8.214 0.030 . 1 . . . . 60 ILE H . 10081 1 611 . 1 1 60 60 ILE HA H 1 4.102 0.030 . 1 . . . . 60 ILE HA . 10081 1 612 . 1 1 60 60 ILE HB H 1 1.617 0.030 . 1 . . . . 60 ILE HB . 10081 1 613 . 1 1 60 60 ILE HG12 H 1 1.474 0.030 . 2 . . . . 60 ILE HG12 . 10081 1 614 . 1 1 60 60 ILE HG13 H 1 0.861 0.030 . 2 . . . . 60 ILE HG13 . 10081 1 615 . 1 1 60 60 ILE HG21 H 1 0.778 0.030 . 1 . . . . 60 ILE HG2 . 10081 1 616 . 1 1 60 60 ILE HG22 H 1 0.778 0.030 . 1 . . . . 60 ILE HG2 . 10081 1 617 . 1 1 60 60 ILE HG23 H 1 0.778 0.030 . 1 . . . . 60 ILE HG2 . 10081 1 618 . 1 1 60 60 ILE HD11 H 1 0.671 0.030 . 1 . . . . 60 ILE HD1 . 10081 1 619 . 1 1 60 60 ILE HD12 H 1 0.671 0.030 . 1 . . . . 60 ILE HD1 . 10081 1 620 . 1 1 60 60 ILE HD13 H 1 0.671 0.030 . 1 . . . . 60 ILE HD1 . 10081 1 621 . 1 1 60 60 ILE C C 13 175.429 0.300 . 1 . . . . 60 ILE C . 10081 1 622 . 1 1 60 60 ILE CA C 13 62.518 0.300 . 1 . . . . 60 ILE CA . 10081 1 623 . 1 1 60 60 ILE CB C 13 38.705 0.300 . 1 . . . . 60 ILE CB . 10081 1 624 . 1 1 60 60 ILE CG1 C 13 27.487 0.300 . 1 . . . . 60 ILE CG1 . 10081 1 625 . 1 1 60 60 ILE CG2 C 13 17.805 0.300 . 1 . . . . 60 ILE CG2 . 10081 1 626 . 1 1 60 60 ILE CD1 C 13 14.371 0.300 . 1 . . . . 60 ILE CD1 . 10081 1 627 . 1 1 60 60 ILE N N 15 120.719 0.300 . 1 . . . . 60 ILE N . 10081 1 628 . 1 1 61 61 VAL H H 1 8.674 0.030 . 1 . . . . 61 VAL H . 10081 1 629 . 1 1 61 61 VAL HA H 1 4.306 0.030 . 1 . . . . 61 VAL HA . 10081 1 630 . 1 1 61 61 VAL HB H 1 2.001 0.030 . 1 . . . . 61 VAL HB . 10081 1 631 . 1 1 61 61 VAL HG11 H 1 0.624 0.030 . 1 . . . . 61 VAL HG1 . 10081 1 632 . 1 1 61 61 VAL HG12 H 1 0.624 0.030 . 1 . . . . 61 VAL HG1 . 10081 1 633 . 1 1 61 61 VAL HG13 H 1 0.624 0.030 . 1 . . . . 61 VAL HG1 . 10081 1 634 . 1 1 61 61 VAL HG21 H 1 0.669 0.030 . 1 . . . . 61 VAL HG2 . 10081 1 635 . 1 1 61 61 VAL HG22 H 1 0.669 0.030 . 1 . . . . 61 VAL HG2 . 10081 1 636 . 1 1 61 61 VAL HG23 H 1 0.669 0.030 . 1 . . . . 61 VAL HG2 . 10081 1 637 . 1 1 61 61 VAL C C 13 177.396 0.300 . 1 . . . . 61 VAL C . 10081 1 638 . 1 1 61 61 VAL CA C 13 62.236 0.300 . 1 . . . . 61 VAL CA . 10081 1 639 . 1 1 61 61 VAL CB C 13 32.858 0.300 . 1 . . . . 61 VAL CB . 10081 1 640 . 1 1 61 61 VAL CG1 C 13 21.889 0.300 . 2 . . . . 61 VAL CG1 . 10081 1 641 . 1 1 61 61 VAL CG2 C 13 20.055 0.300 . 2 . . . . 61 VAL CG2 . 10081 1 642 . 1 1 61 61 VAL N N 15 119.228 0.300 . 1 . . . . 61 VAL N . 10081 1 643 . 1 1 62 62 SER H H 1 7.780 0.030 . 1 . . . . 62 SER H . 10081 1 644 . 1 1 62 62 SER HA H 1 5.316 0.030 . 1 . . . . 62 SER HA . 10081 1 645 . 1 1 62 62 SER HB2 H 1 3.868 0.030 . 2 . . . . 62 SER HB2 . 10081 1 646 . 1 1 62 62 SER HB3 H 1 3.503 0.030 . 2 . . . . 62 SER HB3 . 10081 1 647 . 1 1 62 62 SER C C 13 173.377 0.300 . 1 . . . . 62 SER C . 10081 1 648 . 1 1 62 62 SER CA C 13 58.586 0.300 . 1 . . . . 62 SER CA . 10081 1 649 . 1 1 62 62 SER CB C 13 65.150 0.300 . 1 . . . . 62 SER CB . 10081 1 650 . 1 1 62 62 SER N N 15 115.189 0.300 . 1 . . . . 62 SER N . 10081 1 651 . 1 1 63 63 ILE H H 1 8.087 0.030 . 1 . . . . 63 ILE H . 10081 1 652 . 1 1 63 63 ILE HA H 1 4.502 0.030 . 1 . . . . 63 ILE HA . 10081 1 653 . 1 1 63 63 ILE HB H 1 1.608 0.030 . 1 . . . . 63 ILE HB . 10081 1 654 . 1 1 63 63 ILE HG12 H 1 1.822 0.030 . 2 . . . . 63 ILE HG12 . 10081 1 655 . 1 1 63 63 ILE HG13 H 1 0.823 0.030 . 2 . . . . 63 ILE HG13 . 10081 1 656 . 1 1 63 63 ILE HG21 H 1 0.729 0.030 . 1 . . . . 63 ILE HG2 . 10081 1 657 . 1 1 63 63 ILE HG22 H 1 0.729 0.030 . 1 . . . . 63 ILE HG2 . 10081 1 658 . 1 1 63 63 ILE HG23 H 1 0.729 0.030 . 1 . . . . 63 ILE HG2 . 10081 1 659 . 1 1 63 63 ILE HD11 H 1 0.975 0.030 . 1 . . . . 63 ILE HD1 . 10081 1 660 . 1 1 63 63 ILE HD12 H 1 0.975 0.030 . 1 . . . . 63 ILE HD1 . 10081 1 661 . 1 1 63 63 ILE HD13 H 1 0.975 0.030 . 1 . . . . 63 ILE HD1 . 10081 1 662 . 1 1 63 63 ILE C C 13 174.919 0.300 . 1 . . . . 63 ILE C . 10081 1 663 . 1 1 63 63 ILE CA C 13 61.513 0.300 . 1 . . . . 63 ILE CA . 10081 1 664 . 1 1 63 63 ILE CB C 13 41.953 0.300 . 1 . . . . 63 ILE CB . 10081 1 665 . 1 1 63 63 ILE CG1 C 13 28.563 0.300 . 1 . . . . 63 ILE CG1 . 10081 1 666 . 1 1 63 63 ILE CG2 C 13 17.599 0.300 . 1 . . . . 63 ILE CG2 . 10081 1 667 . 1 1 63 63 ILE CD1 C 13 15.084 0.300 . 1 . . . . 63 ILE CD1 . 10081 1 668 . 1 1 63 63 ILE N N 15 121.170 0.300 . 1 . . . . 63 ILE N . 10081 1 669 . 1 1 64 64 GLN H H 1 9.248 0.030 . 1 . . . . 64 GLN H . 10081 1 670 . 1 1 64 64 GLN HA H 1 4.165 0.030 . 1 . . . . 64 GLN HA . 10081 1 671 . 1 1 64 64 GLN HB2 H 1 2.248 0.030 . 2 . . . . 64 GLN HB2 . 10081 1 672 . 1 1 64 64 GLN HB3 H 1 1.599 0.030 . 2 . . . . 64 GLN HB3 . 10081 1 673 . 1 1 64 64 GLN HG2 H 1 1.692 0.030 . 2 . . . . 64 GLN HG2 . 10081 1 674 . 1 1 64 64 GLN HG3 H 1 1.531 0.030 . 2 . . . . 64 GLN HG3 . 10081 1 675 . 1 1 64 64 GLN HE21 H 1 6.984 0.030 . 2 . . . . 64 GLN HE21 . 10081 1 676 . 1 1 64 64 GLN HE22 H 1 6.720 0.030 . 2 . . . . 64 GLN HE22 . 10081 1 677 . 1 1 64 64 GLN C C 13 175.999 0.300 . 1 . . . . 64 GLN C . 10081 1 678 . 1 1 64 64 GLN CA C 13 55.888 0.300 . 1 . . . . 64 GLN CA . 10081 1 679 . 1 1 64 64 GLN CB C 13 28.527 0.300 . 1 . . . . 64 GLN CB . 10081 1 680 . 1 1 64 64 GLN CG C 13 33.391 0.300 . 1 . . . . 64 GLN CG . 10081 1 681 . 1 1 64 64 GLN N N 15 125.662 0.300 . 1 . . . . 64 GLN N . 10081 1 682 . 1 1 64 64 GLN NE2 N 15 111.710 0.300 . 1 . . . . 64 GLN NE2 . 10081 1 683 . 1 1 65 65 GLY H H 1 8.570 0.030 . 1 . . . . 65 GLY H . 10081 1 684 . 1 1 65 65 GLY HA2 H 1 4.143 0.030 . 2 . . . . 65 GLY HA2 . 10081 1 685 . 1 1 65 65 GLY HA3 H 1 3.560 0.030 . 2 . . . . 65 GLY HA3 . 10081 1 686 . 1 1 65 65 GLY C C 13 174.045 0.300 . 1 . . . . 65 GLY C . 10081 1 687 . 1 1 65 65 GLY CA C 13 45.291 0.300 . 1 . . . . 65 GLY CA . 10081 1 688 . 1 1 65 65 GLY N N 15 104.009 0.300 . 1 . . . . 65 GLY N . 10081 1 689 . 1 1 66 66 VAL H H 1 8.345 0.030 . 1 . . . . 66 VAL H . 10081 1 690 . 1 1 66 66 VAL HA H 1 3.974 0.030 . 1 . . . . 66 VAL HA . 10081 1 691 . 1 1 66 66 VAL HB H 1 2.443 0.030 . 1 . . . . 66 VAL HB . 10081 1 692 . 1 1 66 66 VAL HG11 H 1 0.943 0.030 . 1 . . . . 66 VAL HG1 . 10081 1 693 . 1 1 66 66 VAL HG12 H 1 0.943 0.030 . 1 . . . . 66 VAL HG1 . 10081 1 694 . 1 1 66 66 VAL HG13 H 1 0.943 0.030 . 1 . . . . 66 VAL HG1 . 10081 1 695 . 1 1 66 66 VAL HG21 H 1 1.071 0.030 . 1 . . . . 66 VAL HG2 . 10081 1 696 . 1 1 66 66 VAL HG22 H 1 1.071 0.030 . 1 . . . . 66 VAL HG2 . 10081 1 697 . 1 1 66 66 VAL HG23 H 1 1.071 0.030 . 1 . . . . 66 VAL HG2 . 10081 1 698 . 1 1 66 66 VAL C C 13 176.012 0.300 . 1 . . . . 66 VAL C . 10081 1 699 . 1 1 66 66 VAL CA C 13 62.571 0.300 . 1 . . . . 66 VAL CA . 10081 1 700 . 1 1 66 66 VAL CB C 13 31.842 0.300 . 1 . . . . 66 VAL CB . 10081 1 701 . 1 1 66 66 VAL CG1 C 13 20.989 0.300 . 1 . . . . 66 VAL CG1 . 10081 1 702 . 1 1 66 66 VAL CG2 C 13 20.989 0.300 . 1 . . . . 66 VAL CG2 . 10081 1 703 . 1 1 66 66 VAL N N 15 124.638 0.300 . 1 . . . . 66 VAL N . 10081 1 704 . 1 1 67 67 ASP H H 1 8.793 0.030 . 1 . . . . 67 ASP H . 10081 1 705 . 1 1 67 67 ASP HA H 1 4.436 0.030 . 1 . . . . 67 ASP HA . 10081 1 706 . 1 1 67 67 ASP HB2 H 1 2.863 0.030 . 1 . . . . 67 ASP HB2 . 10081 1 707 . 1 1 67 67 ASP HB3 H 1 2.863 0.030 . 1 . . . . 67 ASP HB3 . 10081 1 708 . 1 1 67 67 ASP C C 13 177.663 0.300 . 1 . . . . 67 ASP C . 10081 1 709 . 1 1 67 67 ASP CA C 13 55.483 0.300 . 1 . . . . 67 ASP CA . 10081 1 710 . 1 1 67 67 ASP CB C 13 41.143 0.300 . 1 . . . . 67 ASP CB . 10081 1 711 . 1 1 67 67 ASP N N 15 127.729 0.300 . 1 . . . . 67 ASP N . 10081 1 712 . 1 1 68 68 CYS H H 1 8.561 0.030 . 1 . . . . 68 CYS H . 10081 1 713 . 1 1 68 68 CYS HA H 1 4.749 0.030 . 1 . . . . 68 CYS HA . 10081 1 714 . 1 1 68 68 CYS HB2 H 1 2.889 0.030 . 2 . . . . 68 CYS HB2 . 10081 1 715 . 1 1 68 68 CYS HB3 H 1 2.403 0.030 . 2 . . . . 68 CYS HB3 . 10081 1 716 . 1 1 68 68 CYS C C 13 176.024 0.300 . 1 . . . . 68 CYS C . 10081 1 717 . 1 1 68 68 CYS CA C 13 58.604 0.300 . 1 . . . . 68 CYS CA . 10081 1 718 . 1 1 68 68 CYS CB C 13 28.880 0.300 . 1 . . . . 68 CYS CB . 10081 1 719 . 1 1 68 68 CYS N N 15 123.495 0.300 . 1 . . . . 68 CYS N . 10081 1 720 . 1 1 69 69 LYS H H 1 8.487 0.030 . 1 . . . . 69 LYS H . 10081 1 721 . 1 1 69 69 LYS HA H 1 3.653 0.030 . 1 . . . . 69 LYS HA . 10081 1 722 . 1 1 69 69 LYS HB2 H 1 1.557 0.030 . 2 . . . . 69 LYS HB2 . 10081 1 723 . 1 1 69 69 LYS HB3 H 1 1.112 0.030 . 2 . . . . 69 LYS HB3 . 10081 1 724 . 1 1 69 69 LYS HG2 H 1 0.791 0.030 . 1 . . . . 69 LYS HG2 . 10081 1 725 . 1 1 69 69 LYS HG3 H 1 0.791 0.030 . 1 . . . . 69 LYS HG3 . 10081 1 726 . 1 1 69 69 LYS HD2 H 1 1.430 0.030 . 1 . . . . 69 LYS HD2 . 10081 1 727 . 1 1 69 69 LYS HD3 H 1 1.430 0.030 . 1 . . . . 69 LYS HD3 . 10081 1 728 . 1 1 69 69 LYS HE2 H 1 2.672 0.030 . 2 . . . . 69 LYS HE2 . 10081 1 729 . 1 1 69 69 LYS HE3 H 1 2.631 0.030 . 2 . . . . 69 LYS HE3 . 10081 1 730 . 1 1 69 69 LYS C C 13 175.696 0.300 . 1 . . . . 69 LYS C . 10081 1 731 . 1 1 69 69 LYS CA C 13 61.196 0.300 . 1 . . . . 69 LYS CA . 10081 1 732 . 1 1 69 69 LYS CB C 13 31.603 0.300 . 1 . . . . 69 LYS CB . 10081 1 733 . 1 1 69 69 LYS CG C 13 25.120 0.300 . 1 . . . . 69 LYS CG . 10081 1 734 . 1 1 69 69 LYS CD C 13 28.940 0.300 . 1 . . . . 69 LYS CD . 10081 1 735 . 1 1 69 69 LYS CE C 13 41.138 0.300 . 1 . . . . 69 LYS CE . 10081 1 736 . 1 1 69 69 LYS N N 15 123.989 0.300 . 1 . . . . 69 LYS N . 10081 1 737 . 1 1 70 70 TRP H H 1 8.354 0.030 . 1 . . . . 70 TRP H . 10081 1 738 . 1 1 70 70 TRP HA H 1 4.895 0.030 . 1 . . . . 70 TRP HA . 10081 1 739 . 1 1 70 70 TRP HB2 H 1 3.651 0.030 . 2 . . . . 70 TRP HB2 . 10081 1 740 . 1 1 70 70 TRP HB3 H 1 2.927 0.030 . 2 . . . . 70 TRP HB3 . 10081 1 741 . 1 1 70 70 TRP HD1 H 1 7.235 0.030 . 1 . . . . 70 TRP HD1 . 10081 1 742 . 1 1 70 70 TRP HE1 H 1 10.110 0.030 . 1 . . . . 70 TRP HE1 . 10081 1 743 . 1 1 70 70 TRP HE3 H 1 7.671 0.030 . 1 . . . . 70 TRP HE3 . 10081 1 744 . 1 1 70 70 TRP HZ2 H 1 7.492 0.030 . 1 . . . . 70 TRP HZ2 . 10081 1 745 . 1 1 70 70 TRP HZ3 H 1 7.187 0.030 . 1 . . . . 70 TRP HZ3 . 10081 1 746 . 1 1 70 70 TRP HH2 H 1 7.245 0.030 . 1 . . . . 70 TRP HH2 . 10081 1 747 . 1 1 70 70 TRP C C 13 176.182 0.300 . 1 . . . . 70 TRP C . 10081 1 748 . 1 1 70 70 TRP CA C 13 55.060 0.300 . 1 . . . . 70 TRP CA . 10081 1 749 . 1 1 70 70 TRP CB C 13 28.628 0.300 . 1 . . . . 70 TRP CB . 10081 1 750 . 1 1 70 70 TRP CD1 C 13 127.728 0.300 . 1 . . . . 70 TRP CD1 . 10081 1 751 . 1 1 70 70 TRP CE3 C 13 121.272 0.300 . 1 . . . . 70 TRP CE3 . 10081 1 752 . 1 1 70 70 TRP CZ2 C 13 114.434 0.300 . 1 . . . . 70 TRP CZ2 . 10081 1 753 . 1 1 70 70 TRP CZ3 C 13 121.931 0.300 . 1 . . . . 70 TRP CZ3 . 10081 1 754 . 1 1 70 70 TRP CH2 C 13 124.488 0.300 . 1 . . . . 70 TRP CH2 . 10081 1 755 . 1 1 70 70 TRP N N 15 114.066 0.300 . 1 . . . . 70 TRP N . 10081 1 756 . 1 1 70 70 TRP NE1 N 15 128.474 0.300 . 1 . . . . 70 TRP NE1 . 10081 1 757 . 1 1 71 71 LEU H H 1 7.137 0.030 . 1 . . . . 71 LEU H . 10081 1 758 . 1 1 71 71 LEU HA H 1 4.771 0.030 . 1 . . . . 71 LEU HA . 10081 1 759 . 1 1 71 71 LEU HB2 H 1 1.790 0.030 . 2 . . . . 71 LEU HB2 . 10081 1 760 . 1 1 71 71 LEU HB3 H 1 1.666 0.030 . 2 . . . . 71 LEU HB3 . 10081 1 761 . 1 1 71 71 LEU HG H 1 1.780 0.030 . 1 . . . . 71 LEU HG . 10081 1 762 . 1 1 71 71 LEU HD11 H 1 0.976 0.030 . 1 . . . . 71 LEU HD1 . 10081 1 763 . 1 1 71 71 LEU HD12 H 1 0.976 0.030 . 1 . . . . 71 LEU HD1 . 10081 1 764 . 1 1 71 71 LEU HD13 H 1 0.976 0.030 . 1 . . . . 71 LEU HD1 . 10081 1 765 . 1 1 71 71 LEU HD21 H 1 0.862 0.030 . 1 . . . . 71 LEU HD2 . 10081 1 766 . 1 1 71 71 LEU HD22 H 1 0.862 0.030 . 1 . . . . 71 LEU HD2 . 10081 1 767 . 1 1 71 71 LEU HD23 H 1 0.862 0.030 . 1 . . . . 71 LEU HD2 . 10081 1 768 . 1 1 71 71 LEU C C 13 176.194 0.300 . 1 . . . . 71 LEU C . 10081 1 769 . 1 1 71 71 LEU CA C 13 54.054 0.300 . 1 . . . . 71 LEU CA . 10081 1 770 . 1 1 71 71 LEU CB C 13 43.900 0.300 . 1 . . . . 71 LEU CB . 10081 1 771 . 1 1 71 71 LEU CG C 13 27.318 0.300 . 1 . . . . 71 LEU CG . 10081 1 772 . 1 1 71 71 LEU CD1 C 13 26.056 0.300 . 2 . . . . 71 LEU CD1 . 10081 1 773 . 1 1 71 71 LEU CD2 C 13 22.182 0.300 . 2 . . . . 71 LEU CD2 . 10081 1 774 . 1 1 71 71 LEU N N 15 120.444 0.300 . 1 . . . . 71 LEU N . 10081 1 775 . 1 1 72 72 THR H H 1 8.112 0.030 . 1 . . . . 72 THR H . 10081 1 776 . 1 1 72 72 THR HA H 1 4.619 0.030 . 1 . . . . 72 THR HA . 10081 1 777 . 1 1 72 72 THR HB H 1 4.721 0.030 . 1 . . . . 72 THR HB . 10081 1 778 . 1 1 72 72 THR HG21 H 1 1.363 0.030 . 1 . . . . 72 THR HG2 . 10081 1 779 . 1 1 72 72 THR HG22 H 1 1.363 0.030 . 1 . . . . 72 THR HG2 . 10081 1 780 . 1 1 72 72 THR HG23 H 1 1.363 0.030 . 1 . . . . 72 THR HG2 . 10081 1 781 . 1 1 72 72 THR C C 13 176.170 0.300 . 1 . . . . 72 THR C . 10081 1 782 . 1 1 72 72 THR CA C 13 60.176 0.300 . 1 . . . . 72 THR CA . 10081 1 783 . 1 1 72 72 THR CB C 13 72.059 0.300 . 1 . . . . 72 THR CB . 10081 1 784 . 1 1 72 72 THR CG2 C 13 21.770 0.300 . 1 . . . . 72 THR CG2 . 10081 1 785 . 1 1 72 72 THR N N 15 109.154 0.300 . 1 . . . . 72 THR N . 10081 1 786 . 1 1 73 73 VAL H H 1 8.772 0.030 . 1 . . . . 73 VAL H . 10081 1 787 . 1 1 73 73 VAL HA H 1 3.537 0.030 . 1 . . . . 73 VAL HA . 10081 1 788 . 1 1 73 73 VAL HB H 1 2.172 0.030 . 1 . . . . 73 VAL HB . 10081 1 789 . 1 1 73 73 VAL HG11 H 1 1.022 0.030 . 1 . . . . 73 VAL HG1 . 10081 1 790 . 1 1 73 73 VAL HG12 H 1 1.022 0.030 . 1 . . . . 73 VAL HG1 . 10081 1 791 . 1 1 73 73 VAL HG13 H 1 1.022 0.030 . 1 . . . . 73 VAL HG1 . 10081 1 792 . 1 1 73 73 VAL HG21 H 1 1.080 0.030 . 1 . . . . 73 VAL HG2 . 10081 1 793 . 1 1 73 73 VAL HG22 H 1 1.080 0.030 . 1 . . . . 73 VAL HG2 . 10081 1 794 . 1 1 73 73 VAL HG23 H 1 1.080 0.030 . 1 . . . . 73 VAL HG2 . 10081 1 795 . 1 1 73 73 VAL C C 13 177.833 0.300 . 1 . . . . 73 VAL C . 10081 1 796 . 1 1 73 73 VAL CA C 13 67.720 0.300 . 1 . . . . 73 VAL CA . 10081 1 797 . 1 1 73 73 VAL CB C 13 32.011 0.300 . 1 . . . . 73 VAL CB . 10081 1 798 . 1 1 73 73 VAL CG1 C 13 21.417 0.300 . 2 . . . . 73 VAL CG1 . 10081 1 799 . 1 1 73 73 VAL CG2 C 13 22.822 0.300 . 2 . . . . 73 VAL CG2 . 10081 1 800 . 1 1 73 73 VAL N N 15 119.282 0.300 . 1 . . . . 73 VAL N . 10081 1 801 . 1 1 74 74 SER H H 1 8.402 0.030 . 1 . . . . 74 SER H . 10081 1 802 . 1 1 74 74 SER HA H 1 4.176 0.030 . 1 . . . . 74 SER HA . 10081 1 803 . 1 1 74 74 SER HB2 H 1 3.914 0.030 . 1 . . . . 74 SER HB2 . 10081 1 804 . 1 1 74 74 SER HB3 H 1 3.914 0.030 . 1 . . . . 74 SER HB3 . 10081 1 805 . 1 1 74 74 SER C C 13 177.773 0.300 . 1 . . . . 74 SER C . 10081 1 806 . 1 1 74 74 SER CA C 13 61.584 0.300 . 1 . . . . 74 SER CA . 10081 1 807 . 1 1 74 74 SER CB C 13 62.481 0.300 . 1 . . . . 74 SER CB . 10081 1 808 . 1 1 74 74 SER N N 15 112.704 0.300 . 1 . . . . 74 SER N . 10081 1 809 . 1 1 75 75 GLU H H 1 7.493 0.030 . 1 . . . . 75 GLU H . 10081 1 810 . 1 1 75 75 GLU HA H 1 4.067 0.030 . 1 . . . . 75 GLU HA . 10081 1 811 . 1 1 75 75 GLU HB2 H 1 2.468 0.030 . 2 . . . . 75 GLU HB2 . 10081 1 812 . 1 1 75 75 GLU HB3 H 1 2.112 0.030 . 2 . . . . 75 GLU HB3 . 10081 1 813 . 1 1 75 75 GLU HG2 H 1 2.469 0.030 . 1 . . . . 75 GLU HG2 . 10081 1 814 . 1 1 75 75 GLU HG3 H 1 2.469 0.030 . 1 . . . . 75 GLU HG3 . 10081 1 815 . 1 1 75 75 GLU C C 13 179.545 0.300 . 1 . . . . 75 GLU C . 10081 1 816 . 1 1 75 75 GLU CA C 13 58.921 0.300 . 1 . . . . 75 GLU CA . 10081 1 817 . 1 1 75 75 GLU CB C 13 30.218 0.300 . 1 . . . . 75 GLU CB . 10081 1 818 . 1 1 75 75 GLU CG C 13 35.978 0.300 . 1 . . . . 75 GLU CG . 10081 1 819 . 1 1 75 75 GLU N N 15 121.356 0.300 . 1 . . . . 75 GLU N . 10081 1 820 . 1 1 76 76 VAL H H 1 8.887 0.030 . 1 . . . . 76 VAL H . 10081 1 821 . 1 1 76 76 VAL HA H 1 3.641 0.030 . 1 . . . . 76 VAL HA . 10081 1 822 . 1 1 76 76 VAL HB H 1 2.019 0.030 . 1 . . . . 76 VAL HB . 10081 1 823 . 1 1 76 76 VAL HG11 H 1 0.955 0.030 . 1 . . . . 76 VAL HG1 . 10081 1 824 . 1 1 76 76 VAL HG12 H 1 0.955 0.030 . 1 . . . . 76 VAL HG1 . 10081 1 825 . 1 1 76 76 VAL HG13 H 1 0.955 0.030 . 1 . . . . 76 VAL HG1 . 10081 1 826 . 1 1 76 76 VAL HG21 H 1 1.139 0.030 . 1 . . . . 76 VAL HG2 . 10081 1 827 . 1 1 76 76 VAL HG22 H 1 1.139 0.030 . 1 . . . . 76 VAL HG2 . 10081 1 828 . 1 1 76 76 VAL HG23 H 1 1.139 0.030 . 1 . . . . 76 VAL HG2 . 10081 1 829 . 1 1 76 76 VAL C C 13 177.821 0.300 . 1 . . . . 76 VAL C . 10081 1 830 . 1 1 76 76 VAL CA C 13 67.524 0.300 . 1 . . . . 76 VAL CA . 10081 1 831 . 1 1 76 76 VAL CB C 13 31.320 0.300 . 1 . . . . 76 VAL CB . 10081 1 832 . 1 1 76 76 VAL CG1 C 13 22.759 0.300 . 2 . . . . 76 VAL CG1 . 10081 1 833 . 1 1 76 76 VAL CG2 C 13 25.026 0.300 . 2 . . . . 76 VAL CG2 . 10081 1 834 . 1 1 76 76 VAL N N 15 122.442 0.300 . 1 . . . . 76 VAL N . 10081 1 835 . 1 1 77 77 MET H H 1 8.631 0.030 . 1 . . . . 77 MET H . 10081 1 836 . 1 1 77 77 MET HA H 1 4.412 0.030 . 1 . . . . 77 MET HA . 10081 1 837 . 1 1 77 77 MET HB2 H 1 2.245 0.030 . 2 . . . . 77 MET HB2 . 10081 1 838 . 1 1 77 77 MET HB3 H 1 2.101 0.030 . 2 . . . . 77 MET HB3 . 10081 1 839 . 1 1 77 77 MET HG2 H 1 2.778 0.030 . 2 . . . . 77 MET HG2 . 10081 1 840 . 1 1 77 77 MET HG3 H 1 2.701 0.030 . 2 . . . . 77 MET HG3 . 10081 1 841 . 1 1 77 77 MET HE1 H 1 2.047 0.030 . 1 . . . . 77 MET HE . 10081 1 842 . 1 1 77 77 MET HE2 H 1 2.047 0.030 . 1 . . . . 77 MET HE . 10081 1 843 . 1 1 77 77 MET HE3 H 1 2.047 0.030 . 1 . . . . 77 MET HE . 10081 1 844 . 1 1 77 77 MET C C 13 178.525 0.300 . 1 . . . . 77 MET C . 10081 1 845 . 1 1 77 77 MET CA C 13 57.634 0.300 . 1 . . . . 77 MET CA . 10081 1 846 . 1 1 77 77 MET CB C 13 30.724 0.300 . 1 . . . . 77 MET CB . 10081 1 847 . 1 1 77 77 MET CG C 13 32.402 0.300 . 1 . . . . 77 MET CG . 10081 1 848 . 1 1 77 77 MET CE C 13 16.171 0.300 . 1 . . . . 77 MET CE . 10081 1 849 . 1 1 77 77 MET N N 15 118.675 0.300 . 1 . . . . 77 MET N . 10081 1 850 . 1 1 78 78 LYS H H 1 7.753 0.030 . 1 . . . . 78 LYS H . 10081 1 851 . 1 1 78 78 LYS HA H 1 3.955 0.030 . 1 . . . . 78 LYS HA . 10081 1 852 . 1 1 78 78 LYS HB2 H 1 1.922 0.030 . 1 . . . . 78 LYS HB2 . 10081 1 853 . 1 1 78 78 LYS HB3 H 1 1.922 0.030 . 1 . . . . 78 LYS HB3 . 10081 1 854 . 1 1 78 78 LYS HG2 H 1 1.581 0.030 . 2 . . . . 78 LYS HG2 . 10081 1 855 . 1 1 78 78 LYS HG3 H 1 1.411 0.030 . 2 . . . . 78 LYS HG3 . 10081 1 856 . 1 1 78 78 LYS HD2 H 1 1.697 0.030 . 1 . . . . 78 LYS HD2 . 10081 1 857 . 1 1 78 78 LYS HD3 H 1 1.697 0.030 . 1 . . . . 78 LYS HD3 . 10081 1 858 . 1 1 78 78 LYS HE2 H 1 2.964 0.030 . 1 . . . . 78 LYS HE2 . 10081 1 859 . 1 1 78 78 LYS HE3 H 1 2.964 0.030 . 1 . . . . 78 LYS HE3 . 10081 1 860 . 1 1 78 78 LYS C C 13 179.242 0.300 . 1 . . . . 78 LYS C . 10081 1 861 . 1 1 78 78 LYS CA C 13 59.855 0.300 . 1 . . . . 78 LYS CA . 10081 1 862 . 1 1 78 78 LYS CB C 13 32.525 0.300 . 1 . . . . 78 LYS CB . 10081 1 863 . 1 1 78 78 LYS CG C 13 25.347 0.300 . 1 . . . . 78 LYS CG . 10081 1 864 . 1 1 78 78 LYS CD C 13 29.562 0.300 . 1 . . . . 78 LYS CD . 10081 1 865 . 1 1 78 78 LYS CE C 13 42.127 0.300 . 1 . . . . 78 LYS CE . 10081 1 866 . 1 1 78 78 LYS N N 15 119.166 0.300 . 1 . . . . 78 LYS N . 10081 1 867 . 1 1 79 79 LEU H H 1 7.699 0.030 . 1 . . . . 79 LEU H . 10081 1 868 . 1 1 79 79 LEU HA H 1 4.071 0.030 . 1 . . . . 79 LEU HA . 10081 1 869 . 1 1 79 79 LEU HB2 H 1 1.992 0.030 . 2 . . . . 79 LEU HB2 . 10081 1 870 . 1 1 79 79 LEU HB3 H 1 1.788 0.030 . 2 . . . . 79 LEU HB3 . 10081 1 871 . 1 1 79 79 LEU HG H 1 1.641 0.030 . 1 . . . . 79 LEU HG . 10081 1 872 . 1 1 79 79 LEU HD11 H 1 0.948 0.030 . 1 . . . . 79 LEU HD1 . 10081 1 873 . 1 1 79 79 LEU HD12 H 1 0.948 0.030 . 1 . . . . 79 LEU HD1 . 10081 1 874 . 1 1 79 79 LEU HD13 H 1 0.948 0.030 . 1 . . . . 79 LEU HD1 . 10081 1 875 . 1 1 79 79 LEU HD21 H 1 0.984 0.030 . 1 . . . . 79 LEU HD2 . 10081 1 876 . 1 1 79 79 LEU HD22 H 1 0.984 0.030 . 1 . . . . 79 LEU HD2 . 10081 1 877 . 1 1 79 79 LEU HD23 H 1 0.984 0.030 . 1 . . . . 79 LEU HD2 . 10081 1 878 . 1 1 79 79 LEU C C 13 179.739 0.300 . 1 . . . . 79 LEU C . 10081 1 879 . 1 1 79 79 LEU CA C 13 57.863 0.300 . 1 . . . . 79 LEU CA . 10081 1 880 . 1 1 79 79 LEU CB C 13 42.356 0.300 . 1 . . . . 79 LEU CB . 10081 1 881 . 1 1 79 79 LEU CG C 13 27.202 0.300 . 1 . . . . 79 LEU CG . 10081 1 882 . 1 1 79 79 LEU CD1 C 13 26.272 0.300 . 2 . . . . 79 LEU CD1 . 10081 1 883 . 1 1 79 79 LEU CD2 C 13 24.325 0.300 . 2 . . . . 79 LEU CD2 . 10081 1 884 . 1 1 79 79 LEU N N 15 121.392 0.300 . 1 . . . . 79 LEU N . 10081 1 885 . 1 1 80 80 LEU H H 1 8.759 0.030 . 1 . . . . 80 LEU H . 10081 1 886 . 1 1 80 80 LEU HA H 1 4.096 0.030 . 1 . . . . 80 LEU HA . 10081 1 887 . 1 1 80 80 LEU HB2 H 1 2.075 0.030 . 2 . . . . 80 LEU HB2 . 10081 1 888 . 1 1 80 80 LEU HB3 H 1 1.617 0.030 . 2 . . . . 80 LEU HB3 . 10081 1 889 . 1 1 80 80 LEU HG H 1 1.854 0.030 . 1 . . . . 80 LEU HG . 10081 1 890 . 1 1 80 80 LEU HD11 H 1 1.129 0.030 . 1 . . . . 80 LEU HD1 . 10081 1 891 . 1 1 80 80 LEU HD12 H 1 1.129 0.030 . 1 . . . . 80 LEU HD1 . 10081 1 892 . 1 1 80 80 LEU HD13 H 1 1.129 0.030 . 1 . . . . 80 LEU HD1 . 10081 1 893 . 1 1 80 80 LEU HD21 H 1 1.139 0.030 . 1 . . . . 80 LEU HD2 . 10081 1 894 . 1 1 80 80 LEU HD22 H 1 1.139 0.030 . 1 . . . . 80 LEU HD2 . 10081 1 895 . 1 1 80 80 LEU HD23 H 1 1.139 0.030 . 1 . . . . 80 LEU HD2 . 10081 1 896 . 1 1 80 80 LEU C C 13 178.805 0.300 . 1 . . . . 80 LEU C . 10081 1 897 . 1 1 80 80 LEU CA C 13 59.274 0.300 . 1 . . . . 80 LEU CA . 10081 1 898 . 1 1 80 80 LEU CB C 13 42.292 0.300 . 1 . . . . 80 LEU CB . 10081 1 899 . 1 1 80 80 LEU CG C 13 27.615 0.300 . 1 . . . . 80 LEU CG . 10081 1 900 . 1 1 80 80 LEU CD1 C 13 25.984 0.300 . 2 . . . . 80 LEU CD1 . 10081 1 901 . 1 1 80 80 LEU CD2 C 13 24.984 0.300 . 2 . . . . 80 LEU CD2 . 10081 1 902 . 1 1 80 80 LEU N N 15 120.082 0.300 . 1 . . . . 80 LEU N . 10081 1 903 . 1 1 81 81 LYS H H 1 8.252 0.030 . 1 . . . . 81 LYS H . 10081 1 904 . 1 1 81 81 LYS HA H 1 3.928 0.030 . 1 . . . . 81 LYS HA . 10081 1 905 . 1 1 81 81 LYS HB2 H 1 1.934 0.030 . 2 . . . . 81 LYS HB2 . 10081 1 906 . 1 1 81 81 LYS HB3 H 1 1.905 0.030 . 2 . . . . 81 LYS HB3 . 10081 1 907 . 1 1 81 81 LYS HG2 H 1 1.687 0.030 . 2 . . . . 81 LYS HG2 . 10081 1 908 . 1 1 81 81 LYS HG3 H 1 1.405 0.030 . 2 . . . . 81 LYS HG3 . 10081 1 909 . 1 1 81 81 LYS HD2 H 1 1.687 0.030 . 1 . . . . 81 LYS HD2 . 10081 1 910 . 1 1 81 81 LYS HD3 H 1 1.687 0.030 . 1 . . . . 81 LYS HD3 . 10081 1 911 . 1 1 81 81 LYS HE2 H 1 2.981 0.030 . 1 . . . . 81 LYS HE2 . 10081 1 912 . 1 1 81 81 LYS HE3 H 1 2.981 0.030 . 1 . . . . 81 LYS HE3 . 10081 1 913 . 1 1 81 81 LYS C C 13 179.557 0.300 . 1 . . . . 81 LYS C . 10081 1 914 . 1 1 81 81 LYS CA C 13 59.396 0.300 . 1 . . . . 81 LYS CA . 10081 1 915 . 1 1 81 81 LYS CB C 13 31.964 0.300 . 1 . . . . 81 LYS CB . 10081 1 916 . 1 1 81 81 LYS CG C 13 26.107 0.300 . 1 . . . . 81 LYS CG . 10081 1 917 . 1 1 81 81 LYS CD C 13 29.352 0.300 . 1 . . . . 81 LYS CD . 10081 1 918 . 1 1 81 81 LYS CE C 13 42.127 0.300 . 1 . . . . 81 LYS CE . 10081 1 919 . 1 1 81 81 LYS N N 15 115.348 0.300 . 1 . . . . 81 LYS N . 10081 1 920 . 1 1 82 82 SER H H 1 7.846 0.030 . 1 . . . . 82 SER H . 10081 1 921 . 1 1 82 82 SER HA H 1 4.267 0.030 . 1 . . . . 82 SER HA . 10081 1 922 . 1 1 82 82 SER HB2 H 1 3.817 0.030 . 2 . . . . 82 SER HB2 . 10081 1 923 . 1 1 82 82 SER HB3 H 1 3.764 0.030 . 2 . . . . 82 SER HB3 . 10081 1 924 . 1 1 82 82 SER C C 13 174.482 0.300 . 1 . . . . 82 SER C . 10081 1 925 . 1 1 82 82 SER CA C 13 60.984 0.300 . 1 . . . . 82 SER CA . 10081 1 926 . 1 1 82 82 SER CB C 13 62.470 0.300 . 1 . . . . 82 SER CB . 10081 1 927 . 1 1 82 82 SER N N 15 117.271 0.300 . 1 . . . . 82 SER N . 10081 1 928 . 1 1 83 83 PHE H H 1 7.470 0.030 . 1 . . . . 83 PHE H . 10081 1 929 . 1 1 83 83 PHE HA H 1 4.794 0.030 . 1 . . . . 83 PHE HA . 10081 1 930 . 1 1 83 83 PHE HB2 H 1 3.476 0.030 . 2 . . . . 83 PHE HB2 . 10081 1 931 . 1 1 83 83 PHE HB3 H 1 2.659 0.030 . 2 . . . . 83 PHE HB3 . 10081 1 932 . 1 1 83 83 PHE HD1 H 1 7.226 0.030 . 1 . . . . 83 PHE HD1 . 10081 1 933 . 1 1 83 83 PHE HD2 H 1 7.226 0.030 . 1 . . . . 83 PHE HD2 . 10081 1 934 . 1 1 83 83 PHE HE1 H 1 7.174 0.030 . 1 . . . . 83 PHE HE1 . 10081 1 935 . 1 1 83 83 PHE HE2 H 1 7.174 0.030 . 1 . . . . 83 PHE HE2 . 10081 1 936 . 1 1 83 83 PHE HZ H 1 7.233 0.030 . 1 . . . . 83 PHE HZ . 10081 1 937 . 1 1 83 83 PHE C C 13 174.494 0.300 . 1 . . . . 83 PHE C . 10081 1 938 . 1 1 83 83 PHE CA C 13 57.070 0.300 . 1 . . . . 83 PHE CA . 10081 1 939 . 1 1 83 83 PHE CB C 13 39.778 0.300 . 1 . . . . 83 PHE CB . 10081 1 940 . 1 1 83 83 PHE CD1 C 13 132.114 0.300 . 1 . . . . 83 PHE CD1 . 10081 1 941 . 1 1 83 83 PHE CD2 C 13 132.114 0.300 . 1 . . . . 83 PHE CD2 . 10081 1 942 . 1 1 83 83 PHE CE1 C 13 130.919 0.300 . 1 . . . . 83 PHE CE1 . 10081 1 943 . 1 1 83 83 PHE CE2 C 13 130.919 0.300 . 1 . . . . 83 PHE CE2 . 10081 1 944 . 1 1 83 83 PHE CZ C 13 129.318 0.300 . 1 . . . . 83 PHE CZ . 10081 1 945 . 1 1 83 83 PHE N N 15 121.017 0.300 . 1 . . . . 83 PHE N . 10081 1 946 . 1 1 84 84 GLY H H 1 7.515 0.030 . 1 . . . . 84 GLY H . 10081 1 947 . 1 1 84 84 GLY HA2 H 1 3.880 0.030 . 2 . . . . 84 GLY HA2 . 10081 1 948 . 1 1 84 84 GLY HA3 H 1 3.619 0.030 . 2 . . . . 84 GLY HA3 . 10081 1 949 . 1 1 84 84 GLY C C 13 175.198 0.300 . 1 . . . . 84 GLY C . 10081 1 950 . 1 1 84 84 GLY CA C 13 47.777 0.300 . 1 . . . . 84 GLY CA . 10081 1 951 . 1 1 84 84 GLY N N 15 105.037 0.300 . 1 . . . . 84 GLY N . 10081 1 952 . 1 1 85 85 GLY H H 1 9.224 0.030 . 1 . . . . 85 GLY H . 10081 1 953 . 1 1 85 85 GLY HA2 H 1 4.288 0.030 . 2 . . . . 85 GLY HA2 . 10081 1 954 . 1 1 85 85 GLY HA3 H 1 3.775 0.030 . 2 . . . . 85 GLY HA3 . 10081 1 955 . 1 1 85 85 GLY C C 13 173.923 0.300 . 1 . . . . 85 GLY C . 10081 1 956 . 1 1 85 85 GLY CA C 13 45.485 0.300 . 1 . . . . 85 GLY CA . 10081 1 957 . 1 1 85 85 GLY N N 15 114.156 0.300 . 1 . . . . 85 GLY N . 10081 1 958 . 1 1 86 86 GLU H H 1 8.494 0.030 . 1 . . . . 86 GLU H . 10081 1 959 . 1 1 86 86 GLU HA H 1 4.693 0.030 . 1 . . . . 86 GLU HA . 10081 1 960 . 1 1 86 86 GLU HB2 H 1 2.243 0.030 . 2 . . . . 86 GLU HB2 . 10081 1 961 . 1 1 86 86 GLU HB3 H 1 2.123 0.030 . 2 . . . . 86 GLU HB3 . 10081 1 962 . 1 1 86 86 GLU HG2 H 1 2.369 0.030 . 1 . . . . 86 GLU HG2 . 10081 1 963 . 1 1 86 86 GLU HG3 H 1 2.369 0.030 . 1 . . . . 86 GLU HG3 . 10081 1 964 . 1 1 86 86 GLU C C 13 174.457 0.300 . 1 . . . . 86 GLU C . 10081 1 965 . 1 1 86 86 GLU CA C 13 54.107 0.300 . 1 . . . . 86 GLU CA . 10081 1 966 . 1 1 86 86 GLU CB C 13 30.789 0.300 . 1 . . . . 86 GLU CB . 10081 1 967 . 1 1 86 86 GLU CG C 13 33.226 0.300 . 1 . . . . 86 GLU CG . 10081 1 968 . 1 1 86 86 GLU N N 15 118.864 0.300 . 1 . . . . 86 GLU N . 10081 1 969 . 1 1 87 87 GLU H H 1 8.417 0.030 . 1 . . . . 87 GLU H . 10081 1 970 . 1 1 87 87 GLU HA H 1 4.490 0.030 . 1 . . . . 87 GLU HA . 10081 1 971 . 1 1 87 87 GLU HB2 H 1 1.863 0.030 . 1 . . . . 87 GLU HB2 . 10081 1 972 . 1 1 87 87 GLU HB3 H 1 1.863 0.030 . 1 . . . . 87 GLU HB3 . 10081 1 973 . 1 1 87 87 GLU HG2 H 1 2.192 0.030 . 2 . . . . 87 GLU HG2 . 10081 1 974 . 1 1 87 87 GLU HG3 H 1 2.129 0.030 . 2 . . . . 87 GLU HG3 . 10081 1 975 . 1 1 87 87 GLU C C 13 175.854 0.300 . 1 . . . . 87 GLU C . 10081 1 976 . 1 1 87 87 GLU CA C 13 55.765 0.300 . 1 . . . . 87 GLU CA . 10081 1 977 . 1 1 87 87 GLU CB C 13 28.858 0.300 . 1 . . . . 87 GLU CB . 10081 1 978 . 1 1 87 87 GLU CG C 13 34.380 0.300 . 1 . . . . 87 GLU CG . 10081 1 979 . 1 1 87 87 GLU N N 15 121.286 0.300 . 1 . . . . 87 GLU N . 10081 1 980 . 1 1 88 88 VAL H H 1 8.587 0.030 . 1 . . . . 88 VAL H . 10081 1 981 . 1 1 88 88 VAL HA H 1 4.434 0.030 . 1 . . . . 88 VAL HA . 10081 1 982 . 1 1 88 88 VAL HB H 1 1.451 0.030 . 1 . . . . 88 VAL HB . 10081 1 983 . 1 1 88 88 VAL HG11 H 1 0.385 0.030 . 1 . . . . 88 VAL HG1 . 10081 1 984 . 1 1 88 88 VAL HG12 H 1 0.385 0.030 . 1 . . . . 88 VAL HG1 . 10081 1 985 . 1 1 88 88 VAL HG13 H 1 0.385 0.030 . 1 . . . . 88 VAL HG1 . 10081 1 986 . 1 1 88 88 VAL HG21 H 1 0.164 0.030 . 1 . . . . 88 VAL HG2 . 10081 1 987 . 1 1 88 88 VAL HG22 H 1 0.164 0.030 . 1 . . . . 88 VAL HG2 . 10081 1 988 . 1 1 88 88 VAL HG23 H 1 0.164 0.030 . 1 . . . . 88 VAL HG2 . 10081 1 989 . 1 1 88 88 VAL C C 13 173.790 0.300 . 1 . . . . 88 VAL C . 10081 1 990 . 1 1 88 88 VAL CA C 13 58.428 0.300 . 1 . . . . 88 VAL CA . 10081 1 991 . 1 1 88 88 VAL CB C 13 35.472 0.300 . 1 . . . . 88 VAL CB . 10081 1 992 . 1 1 88 88 VAL CG1 C 13 21.935 0.300 . 2 . . . . 88 VAL CG1 . 10081 1 993 . 1 1 88 88 VAL CG2 C 13 18.885 0.300 . 2 . . . . 88 VAL CG2 . 10081 1 994 . 1 1 88 88 VAL N N 15 120.003 0.300 . 1 . . . . 88 VAL N . 10081 1 995 . 1 1 89 89 GLU H H 1 7.904 0.030 . 1 . . . . 89 GLU H . 10081 1 996 . 1 1 89 89 GLU HA H 1 4.827 0.030 . 1 . . . . 89 GLU HA . 10081 1 997 . 1 1 89 89 GLU HB2 H 1 1.932 0.030 . 2 . . . . 89 GLU HB2 . 10081 1 998 . 1 1 89 89 GLU HB3 H 1 1.680 0.030 . 2 . . . . 89 GLU HB3 . 10081 1 999 . 1 1 89 89 GLU HG2 H 1 1.891 0.030 . 2 . . . . 89 GLU HG2 . 10081 1 1000 . 1 1 89 89 GLU HG3 H 1 1.696 0.030 . 2 . . . . 89 GLU HG3 . 10081 1 1001 . 1 1 89 89 GLU C C 13 175.198 0.300 . 1 . . . . 89 GLU C . 10081 1 1002 . 1 1 89 89 GLU CA C 13 54.037 0.300 . 1 . . . . 89 GLU CA . 10081 1 1003 . 1 1 89 89 GLU CB C 13 30.710 0.300 . 1 . . . . 89 GLU CB . 10081 1 1004 . 1 1 89 89 GLU CG C 13 35.383 0.300 . 1 . . . . 89 GLU CG . 10081 1 1005 . 1 1 89 89 GLU N N 15 118.898 0.300 . 1 . . . . 89 GLU N . 10081 1 1006 . 1 1 90 90 MET H H 1 9.340 0.030 . 1 . . . . 90 MET H . 10081 1 1007 . 1 1 90 90 MET HA H 1 5.194 0.030 . 1 . . . . 90 MET HA . 10081 1 1008 . 1 1 90 90 MET HB2 H 1 2.230 0.030 . 2 . . . . 90 MET HB2 . 10081 1 1009 . 1 1 90 90 MET HB3 H 1 1.916 0.030 . 2 . . . . 90 MET HB3 . 10081 1 1010 . 1 1 90 90 MET HG2 H 1 2.584 0.030 . 2 . . . . 90 MET HG2 . 10081 1 1011 . 1 1 90 90 MET HG3 H 1 2.201 0.030 . 2 . . . . 90 MET HG3 . 10081 1 1012 . 1 1 90 90 MET HE1 H 1 1.659 0.030 . 1 . . . . 90 MET HE . 10081 1 1013 . 1 1 90 90 MET HE2 H 1 1.659 0.030 . 1 . . . . 90 MET HE . 10081 1 1014 . 1 1 90 90 MET HE3 H 1 1.659 0.030 . 1 . . . . 90 MET HE . 10081 1 1015 . 1 1 90 90 MET C C 13 174.312 0.300 . 1 . . . . 90 MET C . 10081 1 1016 . 1 1 90 90 MET CA C 13 53.797 0.300 . 1 . . . . 90 MET CA . 10081 1 1017 . 1 1 90 90 MET CB C 13 38.148 0.300 . 1 . . . . 90 MET CB . 10081 1 1018 . 1 1 90 90 MET CG C 13 31.660 0.300 . 1 . . . . 90 MET CG . 10081 1 1019 . 1 1 90 90 MET CE C 13 16.408 0.300 . 1 . . . . 90 MET CE . 10081 1 1020 . 1 1 90 90 MET N N 15 129.830 0.300 . 1 . . . . 90 MET N . 10081 1 1021 . 1 1 91 91 LYS H H 1 8.780 0.030 . 1 . . . . 91 LYS H . 10081 1 1022 . 1 1 91 91 LYS HA H 1 5.519 0.030 . 1 . . . . 91 LYS HA . 10081 1 1023 . 1 1 91 91 LYS HB2 H 1 1.930 0.030 . 2 . . . . 91 LYS HB2 . 10081 1 1024 . 1 1 91 91 LYS HB3 H 1 1.300 0.030 . 2 . . . . 91 LYS HB3 . 10081 1 1025 . 1 1 91 91 LYS HG2 H 1 1.350 0.030 . 2 . . . . 91 LYS HG2 . 10081 1 1026 . 1 1 91 91 LYS HG3 H 1 1.052 0.030 . 2 . . . . 91 LYS HG3 . 10081 1 1027 . 1 1 91 91 LYS HD2 H 1 1.439 0.030 . 1 . . . . 91 LYS HD2 . 10081 1 1028 . 1 1 91 91 LYS HD3 H 1 1.439 0.030 . 1 . . . . 91 LYS HD3 . 10081 1 1029 . 1 1 91 91 LYS HE2 H 1 2.797 0.030 . 1 . . . . 91 LYS HE2 . 10081 1 1030 . 1 1 91 91 LYS HE3 H 1 2.797 0.030 . 1 . . . . 91 LYS HE3 . 10081 1 1031 . 1 1 91 91 LYS C C 13 176.242 0.300 . 1 . . . . 91 LYS C . 10081 1 1032 . 1 1 91 91 LYS CA C 13 55.024 0.300 . 1 . . . . 91 LYS CA . 10081 1 1033 . 1 1 91 91 LYS CB C 13 34.139 0.300 . 1 . . . . 91 LYS CB . 10081 1 1034 . 1 1 91 91 LYS CG C 13 25.818 0.300 . 1 . . . . 91 LYS CG . 10081 1 1035 . 1 1 91 91 LYS CD C 13 29.320 0.300 . 1 . . . . 91 LYS CD . 10081 1 1036 . 1 1 91 91 LYS CE C 13 42.127 0.300 . 1 . . . . 91 LYS CE . 10081 1 1037 . 1 1 91 91 LYS N N 15 124.831 0.300 . 1 . . . . 91 LYS N . 10081 1 1038 . 1 1 92 92 VAL H H 1 8.798 0.030 . 1 . . . . 92 VAL H . 10081 1 1039 . 1 1 92 92 VAL HA H 1 5.755 0.030 . 1 . . . . 92 VAL HA . 10081 1 1040 . 1 1 92 92 VAL HB H 1 2.130 0.030 . 1 . . . . 92 VAL HB . 10081 1 1041 . 1 1 92 92 VAL HG11 H 1 0.744 0.030 . 1 . . . . 92 VAL HG1 . 10081 1 1042 . 1 1 92 92 VAL HG12 H 1 0.744 0.030 . 1 . . . . 92 VAL HG1 . 10081 1 1043 . 1 1 92 92 VAL HG13 H 1 0.744 0.030 . 1 . . . . 92 VAL HG1 . 10081 1 1044 . 1 1 92 92 VAL HG21 H 1 0.825 0.030 . 1 . . . . 92 VAL HG2 . 10081 1 1045 . 1 1 92 92 VAL HG22 H 1 0.825 0.030 . 1 . . . . 92 VAL HG2 . 10081 1 1046 . 1 1 92 92 VAL HG23 H 1 0.825 0.030 . 1 . . . . 92 VAL HG2 . 10081 1 1047 . 1 1 92 92 VAL C C 13 174.907 0.300 . 1 . . . . 92 VAL C . 10081 1 1048 . 1 1 92 92 VAL CA C 13 57.704 0.300 . 1 . . . . 92 VAL CA . 10081 1 1049 . 1 1 92 92 VAL CB C 13 36.471 0.300 . 1 . . . . 92 VAL CB . 10081 1 1050 . 1 1 92 92 VAL CG1 C 13 21.964 0.300 . 2 . . . . 92 VAL CG1 . 10081 1 1051 . 1 1 92 92 VAL CG2 C 13 18.015 0.300 . 2 . . . . 92 VAL CG2 . 10081 1 1052 . 1 1 92 92 VAL N N 15 115.327 0.300 . 1 . . . . 92 VAL N . 10081 1 1053 . 1 1 93 93 VAL H H 1 8.823 0.030 . 1 . . . . 93 VAL H . 10081 1 1054 . 1 1 93 93 VAL HA H 1 4.558 0.030 . 1 . . . . 93 VAL HA . 10081 1 1055 . 1 1 93 93 VAL HB H 1 2.223 0.030 . 1 . . . . 93 VAL HB . 10081 1 1056 . 1 1 93 93 VAL HG11 H 1 0.757 0.030 . 1 . . . . 93 VAL HG1 . 10081 1 1057 . 1 1 93 93 VAL HG12 H 1 0.757 0.030 . 1 . . . . 93 VAL HG1 . 10081 1 1058 . 1 1 93 93 VAL HG13 H 1 0.757 0.030 . 1 . . . . 93 VAL HG1 . 10081 1 1059 . 1 1 93 93 VAL HG21 H 1 0.519 0.030 . 1 . . . . 93 VAL HG2 . 10081 1 1060 . 1 1 93 93 VAL HG22 H 1 0.519 0.030 . 1 . . . . 93 VAL HG2 . 10081 1 1061 . 1 1 93 93 VAL HG23 H 1 0.519 0.030 . 1 . . . . 93 VAL HG2 . 10081 1 1062 . 1 1 93 93 VAL C C 13 174.360 0.300 . 1 . . . . 93 VAL C . 10081 1 1063 . 1 1 93 93 VAL CA C 13 59.626 0.300 . 1 . . . . 93 VAL CA . 10081 1 1064 . 1 1 93 93 VAL CB C 13 36.440 0.300 . 1 . . . . 93 VAL CB . 10081 1 1065 . 1 1 93 93 VAL CG1 C 13 22.296 0.300 . 2 . . . . 93 VAL CG1 . 10081 1 1066 . 1 1 93 93 VAL CG2 C 13 20.437 0.300 . 2 . . . . 93 VAL CG2 . 10081 1 1067 . 1 1 93 93 VAL N N 15 113.074 0.300 . 1 . . . . 93 VAL N . 10081 1 1068 . 1 1 94 94 SER H H 1 8.459 0.030 . 1 . . . . 94 SER H . 10081 1 1069 . 1 1 94 94 SER HA H 1 5.372 0.030 . 1 . . . . 94 SER HA . 10081 1 1070 . 1 1 94 94 SER HB2 H 1 4.007 0.030 . 2 . . . . 94 SER HB2 . 10081 1 1071 . 1 1 94 94 SER HB3 H 1 3.710 0.030 . 2 . . . . 94 SER HB3 . 10081 1 1072 . 1 1 94 94 SER C C 13 173.595 0.300 . 1 . . . . 94 SER C . 10081 1 1073 . 1 1 94 94 SER CA C 13 56.629 0.300 . 1 . . . . 94 SER CA . 10081 1 1074 . 1 1 94 94 SER CB C 13 65.367 0.300 . 1 . . . . 94 SER CB . 10081 1 1075 . 1 1 94 94 SER N N 15 115.494 0.300 . 1 . . . . 94 SER N . 10081 1 1076 . 1 1 95 95 LEU H H 1 8.696 0.030 . 1 . . . . 95 LEU H . 10081 1 1077 . 1 1 95 95 LEU HA H 1 4.433 0.030 . 1 . . . . 95 LEU HA . 10081 1 1078 . 1 1 95 95 LEU HB2 H 1 1.682 0.030 . 2 . . . . 95 LEU HB2 . 10081 1 1079 . 1 1 95 95 LEU HB3 H 1 1.434 0.030 . 2 . . . . 95 LEU HB3 . 10081 1 1080 . 1 1 95 95 LEU HG H 1 1.340 0.030 . 1 . . . . 95 LEU HG . 10081 1 1081 . 1 1 95 95 LEU HD11 H 1 0.591 0.030 . 1 . . . . 95 LEU HD1 . 10081 1 1082 . 1 1 95 95 LEU HD12 H 1 0.591 0.030 . 1 . . . . 95 LEU HD1 . 10081 1 1083 . 1 1 95 95 LEU HD13 H 1 0.591 0.030 . 1 . . . . 95 LEU HD1 . 10081 1 1084 . 1 1 95 95 LEU HD21 H 1 0.356 0.030 . 1 . . . . 95 LEU HD2 . 10081 1 1085 . 1 1 95 95 LEU HD22 H 1 0.356 0.030 . 1 . . . . 95 LEU HD2 . 10081 1 1086 . 1 1 95 95 LEU HD23 H 1 0.356 0.030 . 1 . . . . 95 LEU HD2 . 10081 1 1087 . 1 1 95 95 LEU C C 13 177.226 0.300 . 1 . . . . 95 LEU C . 10081 1 1088 . 1 1 95 95 LEU CA C 13 55.060 0.300 . 1 . . . . 95 LEU CA . 10081 1 1089 . 1 1 95 95 LEU CB C 13 42.704 0.300 . 1 . . . . 95 LEU CB . 10081 1 1090 . 1 1 95 95 LEU CG C 13 26.981 0.300 . 1 . . . . 95 LEU CG . 10081 1 1091 . 1 1 95 95 LEU CD1 C 13 24.918 0.300 . 2 . . . . 95 LEU CD1 . 10081 1 1092 . 1 1 95 95 LEU CD2 C 13 23.666 0.300 . 2 . . . . 95 LEU CD2 . 10081 1 1093 . 1 1 95 95 LEU N N 15 124.674 0.300 . 1 . . . . 95 LEU N . 10081 1 1094 . 1 1 96 96 LEU H H 1 8.619 0.030 . 1 . . . . 96 LEU H . 10081 1 1095 . 1 1 96 96 LEU HA H 1 4.388 0.030 . 1 . . . . 96 LEU HA . 10081 1 1096 . 1 1 96 96 LEU HB2 H 1 1.503 0.030 . 2 . . . . 96 LEU HB2 . 10081 1 1097 . 1 1 96 96 LEU HB3 H 1 1.428 0.030 . 2 . . . . 96 LEU HB3 . 10081 1 1098 . 1 1 96 96 LEU HG H 1 1.491 0.030 . 1 . . . . 96 LEU HG . 10081 1 1099 . 1 1 96 96 LEU HD11 H 1 0.786 0.030 . 1 . . . . 96 LEU HD1 . 10081 1 1100 . 1 1 96 96 LEU HD12 H 1 0.786 0.030 . 1 . . . . 96 LEU HD1 . 10081 1 1101 . 1 1 96 96 LEU HD13 H 1 0.786 0.030 . 1 . . . . 96 LEU HD1 . 10081 1 1102 . 1 1 96 96 LEU HD21 H 1 0.808 0.030 . 1 . . . . 96 LEU HD2 . 10081 1 1103 . 1 1 96 96 LEU HD22 H 1 0.808 0.030 . 1 . . . . 96 LEU HD2 . 10081 1 1104 . 1 1 96 96 LEU HD23 H 1 0.808 0.030 . 1 . . . . 96 LEU HD2 . 10081 1 1105 . 1 1 96 96 LEU C C 13 176.716 0.300 . 1 . . . . 96 LEU C . 10081 1 1106 . 1 1 96 96 LEU CA C 13 54.777 0.300 . 1 . . . . 96 LEU CA . 10081 1 1107 . 1 1 96 96 LEU CB C 13 42.254 0.300 . 1 . . . . 96 LEU CB . 10081 1 1108 . 1 1 96 96 LEU CG C 13 27.000 0.300 . 1 . . . . 96 LEU CG . 10081 1 1109 . 1 1 96 96 LEU CD1 C 13 25.396 0.300 . 2 . . . . 96 LEU CD1 . 10081 1 1110 . 1 1 96 96 LEU CD2 C 13 23.041 0.300 . 2 . . . . 96 LEU CD2 . 10081 1 1111 . 1 1 96 96 LEU N N 15 126.706 0.300 . 1 . . . . 96 LEU N . 10081 1 1112 . 1 1 97 97 ASP H H 1 8.262 0.030 . 1 . . . . 97 ASP H . 10081 1 1113 . 1 1 97 97 ASP HA H 1 4.679 0.030 . 1 . . . . 97 ASP HA . 10081 1 1114 . 1 1 97 97 ASP HB2 H 1 2.753 0.030 . 2 . . . . 97 ASP HB2 . 10081 1 1115 . 1 1 97 97 ASP HB3 H 1 2.666 0.030 . 2 . . . . 97 ASP HB3 . 10081 1 1116 . 1 1 97 97 ASP C C 13 176.206 0.300 . 1 . . . . 97 ASP C . 10081 1 1117 . 1 1 97 97 ASP CA C 13 53.807 0.300 . 1 . . . . 97 ASP CA . 10081 1 1118 . 1 1 97 97 ASP CB C 13 41.084 0.300 . 1 . . . . 97 ASP CB . 10081 1 1119 . 1 1 97 97 ASP N N 15 120.383 0.300 . 1 . . . . 97 ASP N . 10081 1 1120 . 1 1 98 98 SER H H 1 8.436 0.030 . 1 . . . . 98 SER H . 10081 1 1121 . 1 1 98 98 SER HA H 1 4.480 0.030 . 1 . . . . 98 SER HA . 10081 1 1122 . 1 1 98 98 SER HB2 H 1 3.942 0.030 . 2 . . . . 98 SER HB2 . 10081 1 1123 . 1 1 98 98 SER HB3 H 1 3.862 0.030 . 2 . . . . 98 SER HB3 . 10081 1 1124 . 1 1 98 98 SER C C 13 175.186 0.300 . 1 . . . . 98 SER C . 10081 1 1125 . 1 1 98 98 SER CA C 13 58.692 0.300 . 1 . . . . 98 SER CA . 10081 1 1126 . 1 1 98 98 SER CB C 13 63.803 0.300 . 1 . . . . 98 SER CB . 10081 1 1127 . 1 1 98 98 SER N N 15 116.887 0.300 . 1 . . . . 98 SER N . 10081 1 1128 . 1 1 99 99 THR H H 1 8.283 0.030 . 1 . . . . 99 THR H . 10081 1 1129 . 1 1 99 99 THR HA H 1 4.372 0.030 . 1 . . . . 99 THR HA . 10081 1 1130 . 1 1 99 99 THR HB H 1 4.313 0.030 . 1 . . . . 99 THR HB . 10081 1 1131 . 1 1 99 99 THR HG21 H 1 1.235 0.030 . 1 . . . . 99 THR HG2 . 10081 1 1132 . 1 1 99 99 THR HG22 H 1 1.235 0.030 . 1 . . . . 99 THR HG2 . 10081 1 1133 . 1 1 99 99 THR HG23 H 1 1.235 0.030 . 1 . . . . 99 THR HG2 . 10081 1 1134 . 1 1 99 99 THR CA C 13 62.580 0.300 . 1 . . . . 99 THR CA . 10081 1 1135 . 1 1 99 99 THR CB C 13 69.671 0.300 . 1 . . . . 99 THR CB . 10081 1 1136 . 1 1 99 99 THR CG2 C 13 21.693 0.300 . 1 . . . . 99 THR CG2 . 10081 1 1137 . 1 1 99 99 THR N N 15 117.711 0.300 . 1 . . . . 99 THR N . 10081 1 1138 . 1 1 100 100 SER H H 1 8.307 0.030 . 1 . . . . 100 SER H . 10081 1 1139 . 1 1 100 100 SER HA H 1 4.477 0.030 . 1 . . . . 100 SER HA . 10081 1 1140 . 1 1 100 100 SER HB2 H 1 3.935 0.030 . 1 . . . . 100 SER HB2 . 10081 1 1141 . 1 1 100 100 SER HB3 H 1 3.935 0.030 . 1 . . . . 100 SER HB3 . 10081 1 1142 . 1 1 100 100 SER CA C 13 58.691 0.300 . 1 . . . . 100 SER CA . 10081 1 1143 . 1 1 100 100 SER N N 15 115.480 0.300 . 1 . . . . 100 SER N . 10081 1 1144 . 1 1 101 101 SER HA H 1 4.434 0.030 . 1 . . . . 101 SER HA . 10081 1 1145 . 1 1 101 101 SER HB2 H 1 3.884 0.030 . 1 . . . . 101 SER HB2 . 10081 1 1146 . 1 1 101 101 SER HB3 H 1 3.884 0.030 . 1 . . . . 101 SER HB3 . 10081 1 1147 . 1 1 101 101 SER C C 13 174.700 0.300 . 1 . . . . 101 SER C . 10081 1 1148 . 1 1 101 101 SER CA C 13 58.657 0.300 . 1 . . . . 101 SER CA . 10081 1 1149 . 1 1 101 101 SER CB C 13 63.638 0.300 . 1 . . . . 101 SER CB . 10081 1 1150 . 1 1 102 102 MET H H 1 8.197 0.030 . 1 . . . . 102 MET H . 10081 1 1151 . 1 1 102 102 MET HA H 1 4.434 0.030 . 1 . . . . 102 MET HA . 10081 1 1152 . 1 1 102 102 MET HB2 H 1 2.039 0.030 . 2 . . . . 102 MET HB2 . 10081 1 1153 . 1 1 102 102 MET HB3 H 1 1.970 0.030 . 2 . . . . 102 MET HB3 . 10081 1 1154 . 1 1 102 102 MET HG2 H 1 2.565 0.030 . 2 . . . . 102 MET HG2 . 10081 1 1155 . 1 1 102 102 MET HG3 H 1 2.487 0.030 . 2 . . . . 102 MET HG3 . 10081 1 1156 . 1 1 102 102 MET HE1 H 1 2.094 0.030 . 1 . . . . 102 MET HE . 10081 1 1157 . 1 1 102 102 MET HE2 H 1 2.094 0.030 . 1 . . . . 102 MET HE . 10081 1 1158 . 1 1 102 102 MET HE3 H 1 2.094 0.030 . 1 . . . . 102 MET HE . 10081 1 1159 . 1 1 102 102 MET C C 13 176.133 0.300 . 1 . . . . 102 MET C . 10081 1 1160 . 1 1 102 102 MET CA C 13 55.800 0.300 . 1 . . . . 102 MET CA . 10081 1 1161 . 1 1 102 102 MET CB C 13 32.773 0.300 . 1 . . . . 102 MET CB . 10081 1 1162 . 1 1 102 102 MET CG C 13 31.990 0.300 . 1 . . . . 102 MET CG . 10081 1 1163 . 1 1 102 102 MET CE C 13 17.007 0.300 . 1 . . . . 102 MET CE . 10081 1 1164 . 1 1 102 102 MET N N 15 121.360 0.300 . 1 . . . . 102 MET N . 10081 1 1165 . 1 1 103 103 HIS H H 1 8.429 0.030 . 1 . . . . 103 HIS H . 10081 1 1166 . 1 1 103 103 HIS HA H 1 4.715 0.030 . 1 . . . . 103 HIS HA . 10081 1 1167 . 1 1 103 103 HIS HB2 H 1 3.306 0.030 . 2 . . . . 103 HIS HB2 . 10081 1 1168 . 1 1 103 103 HIS HB3 H 1 3.186 0.030 . 2 . . . . 103 HIS HB3 . 10081 1 1169 . 1 1 103 103 HIS C C 13 174.142 0.300 . 1 . . . . 103 HIS C . 10081 1 1170 . 1 1 103 103 HIS CA C 13 55.289 0.300 . 1 . . . . 103 HIS CA . 10081 1 1171 . 1 1 103 103 HIS CB C 13 28.850 0.300 . 1 . . . . 103 HIS CB . 10081 1 1172 . 1 1 103 103 HIS N N 15 118.965 0.300 . 1 . . . . 103 HIS N . 10081 1 1173 . 1 1 104 104 ASN H H 1 8.436 0.030 . 1 . . . . 104 ASN H . 10081 1 1174 . 1 1 104 104 ASN HA H 1 4.704 0.030 . 1 . . . . 104 ASN HA . 10081 1 1175 . 1 1 104 104 ASN HB2 H 1 2.850 0.030 . 2 . . . . 104 ASN HB2 . 10081 1 1176 . 1 1 104 104 ASN HB3 H 1 2.791 0.030 . 2 . . . . 104 ASN HB3 . 10081 1 1177 . 1 1 104 104 ASN C C 13 175.186 0.300 . 1 . . . . 104 ASN C . 10081 1 1178 . 1 1 104 104 ASN CA C 13 53.437 0.300 . 1 . . . . 104 ASN CA . 10081 1 1179 . 1 1 104 104 ASN CB C 13 38.913 0.300 . 1 . . . . 104 ASN CB . 10081 1 1180 . 1 1 104 104 ASN N N 15 119.990 0.300 . 1 . . . . 104 ASN N . 10081 1 1181 . 1 1 105 105 LYS H H 1 8.404 0.030 . 1 . . . . 105 LYS H . 10081 1 1182 . 1 1 105 105 LYS HA H 1 4.388 0.030 . 1 . . . . 105 LYS HA . 10081 1 1183 . 1 1 105 105 LYS HB2 H 1 1.903 0.030 . 2 . . . . 105 LYS HB2 . 10081 1 1184 . 1 1 105 105 LYS HB3 H 1 1.800 0.030 . 2 . . . . 105 LYS HB3 . 10081 1 1185 . 1 1 105 105 LYS HG2 H 1 1.460 0.030 . 1 . . . . 105 LYS HG2 . 10081 1 1186 . 1 1 105 105 LYS HG3 H 1 1.460 0.030 . 1 . . . . 105 LYS HG3 . 10081 1 1187 . 1 1 105 105 LYS HD2 H 1 1.700 0.030 . 1 . . . . 105 LYS HD2 . 10081 1 1188 . 1 1 105 105 LYS HD3 H 1 1.700 0.030 . 1 . . . . 105 LYS HD3 . 10081 1 1189 . 1 1 105 105 LYS HE2 H 1 3.031 0.030 . 1 . . . . 105 LYS HE2 . 10081 1 1190 . 1 1 105 105 LYS HE3 H 1 3.031 0.030 . 1 . . . . 105 LYS HE3 . 10081 1 1191 . 1 1 105 105 LYS C C 13 176.534 0.300 . 1 . . . . 105 LYS C . 10081 1 1192 . 1 1 105 105 LYS CA C 13 56.593 0.300 . 1 . . . . 105 LYS CA . 10081 1 1193 . 1 1 105 105 LYS CB C 13 33.062 0.300 . 1 . . . . 105 LYS CB . 10081 1 1194 . 1 1 105 105 LYS CG C 13 24.655 0.300 . 1 . . . . 105 LYS CG . 10081 1 1195 . 1 1 105 105 LYS CD C 13 29.105 0.300 . 1 . . . . 105 LYS CD . 10081 1 1196 . 1 1 105 105 LYS CE C 13 42.374 0.300 . 1 . . . . 105 LYS CE . 10081 1 1197 . 1 1 105 105 LYS N N 15 122.037 0.300 . 1 . . . . 105 LYS N . 10081 1 1198 . 1 1 106 106 SER H H 1 8.349 0.030 . 1 . . . . 106 SER H . 10081 1 1199 . 1 1 106 106 SER HA H 1 4.520 0.030 . 1 . . . . 106 SER HA . 10081 1 1200 . 1 1 106 106 SER HB2 H 1 3.889 0.030 . 1 . . . . 106 SER HB2 . 10081 1 1201 . 1 1 106 106 SER HB3 H 1 3.889 0.030 . 1 . . . . 106 SER HB3 . 10081 1 1202 . 1 1 106 106 SER C C 13 174.457 0.300 . 1 . . . . 106 SER C . 10081 1 1203 . 1 1 106 106 SER CA C 13 58.339 0.300 . 1 . . . . 106 SER CA . 10081 1 1204 . 1 1 106 106 SER CB C 13 63.968 0.300 . 1 . . . . 106 SER CB . 10081 1 1205 . 1 1 106 106 SER N N 15 116.945 0.300 . 1 . . . . 106 SER N . 10081 1 stop_ save_