data_10050 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10050 _Entry.Title ; Solution structure of N-terminal ubiquitin-like domain of human NEDD8 ultimate buster-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-09 _Entry.Accession_date 2006-11-09 _Entry.Last_release_date 2008-08-13 _Entry.Original_release_date 2008-08-13 _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 . . . 10050 2 S. Koshiba . . . 10050 3 N. Tochio . . . 10050 4 M. Inoue . . . 10050 5 T. Kigawa . . . 10050 6 S. Yokoyama . . . 10050 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' . 10050 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10050 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 403 10050 '15N chemical shifts' 86 10050 '1H chemical shifts' 661 10050 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 . . 2008-08-13 2006-11-09 original author . 10050 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WJU 'BMRB Entry Tracking System' 10050 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10050 _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 N-terminal ubiquitin-like domain of human NEDD8 ultimate buster-1 ; _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 . . . 10050 1 2 S. Koshiba . . . 10050 1 3 N. Tochio . . . 10050 1 4 M. Inoue . . . 10050 1 5 T. Kigawa . . . 10050 1 6 S. Yokoyama . . . 10050 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10050 _Assembly.ID 1 _Assembly.Name 'NEDD8 ultimate buster-1' _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' 10050 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 'NEDD8 ultimate buster-1' 1 $entity_1 . . yes native no no . . . 10050 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 1WJU . . . . . . 10050 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10050 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ubiquitin-like 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 ; GSSGSSGDNYRTTGIATIEV FLPPRLKKDRKNLLETRLHI TGRELRSKIAETFGLQENYI KIVINKKQLQLGKTLEEQGV AHNVKAMVLELKQSSGPSSG ; _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 100 _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 1WJU . "Solution Structure Of N-Terminal Ubiquitin-Like Domain Of Human Nedd8 Ultimate Buster-1" . . . . . 100.00 100 100.00 100.00 2.66e-64 . . . . 10050 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ubiquitin-like domain' . 10050 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 . 10050 1 2 . SER . 10050 1 3 . SER . 10050 1 4 . GLY . 10050 1 5 . SER . 10050 1 6 . SER . 10050 1 7 . GLY . 10050 1 8 . ASP . 10050 1 9 . ASN . 10050 1 10 . TYR . 10050 1 11 . ARG . 10050 1 12 . THR . 10050 1 13 . THR . 10050 1 14 . GLY . 10050 1 15 . ILE . 10050 1 16 . ALA . 10050 1 17 . THR . 10050 1 18 . ILE . 10050 1 19 . GLU . 10050 1 20 . VAL . 10050 1 21 . PHE . 10050 1 22 . LEU . 10050 1 23 . PRO . 10050 1 24 . PRO . 10050 1 25 . ARG . 10050 1 26 . LEU . 10050 1 27 . LYS . 10050 1 28 . LYS . 10050 1 29 . ASP . 10050 1 30 . ARG . 10050 1 31 . LYS . 10050 1 32 . ASN . 10050 1 33 . LEU . 10050 1 34 . LEU . 10050 1 35 . GLU . 10050 1 36 . THR . 10050 1 37 . ARG . 10050 1 38 . LEU . 10050 1 39 . HIS . 10050 1 40 . ILE . 10050 1 41 . THR . 10050 1 42 . GLY . 10050 1 43 . ARG . 10050 1 44 . GLU . 10050 1 45 . LEU . 10050 1 46 . ARG . 10050 1 47 . SER . 10050 1 48 . LYS . 10050 1 49 . ILE . 10050 1 50 . ALA . 10050 1 51 . GLU . 10050 1 52 . THR . 10050 1 53 . PHE . 10050 1 54 . GLY . 10050 1 55 . LEU . 10050 1 56 . GLN . 10050 1 57 . GLU . 10050 1 58 . ASN . 10050 1 59 . TYR . 10050 1 60 . ILE . 10050 1 61 . LYS . 10050 1 62 . ILE . 10050 1 63 . VAL . 10050 1 64 . ILE . 10050 1 65 . ASN . 10050 1 66 . LYS . 10050 1 67 . LYS . 10050 1 68 . GLN . 10050 1 69 . LEU . 10050 1 70 . GLN . 10050 1 71 . LEU . 10050 1 72 . GLY . 10050 1 73 . LYS . 10050 1 74 . THR . 10050 1 75 . LEU . 10050 1 76 . GLU . 10050 1 77 . GLU . 10050 1 78 . GLN . 10050 1 79 . GLY . 10050 1 80 . VAL . 10050 1 81 . ALA . 10050 1 82 . HIS . 10050 1 83 . ASN . 10050 1 84 . VAL . 10050 1 85 . LYS . 10050 1 86 . ALA . 10050 1 87 . MET . 10050 1 88 . VAL . 10050 1 89 . LEU . 10050 1 90 . GLU . 10050 1 91 . LEU . 10050 1 92 . LYS . 10050 1 93 . GLN . 10050 1 94 . SER . 10050 1 95 . SER . 10050 1 96 . GLY . 10050 1 97 . PRO . 10050 1 98 . SER . 10050 1 99 . SER . 10050 1 100 . GLY . 10050 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 10050 1 . SER 2 2 10050 1 . SER 3 3 10050 1 . GLY 4 4 10050 1 . SER 5 5 10050 1 . SER 6 6 10050 1 . GLY 7 7 10050 1 . ASP 8 8 10050 1 . ASN 9 9 10050 1 . TYR 10 10 10050 1 . ARG 11 11 10050 1 . THR 12 12 10050 1 . THR 13 13 10050 1 . GLY 14 14 10050 1 . ILE 15 15 10050 1 . ALA 16 16 10050 1 . THR 17 17 10050 1 . ILE 18 18 10050 1 . GLU 19 19 10050 1 . VAL 20 20 10050 1 . PHE 21 21 10050 1 . LEU 22 22 10050 1 . PRO 23 23 10050 1 . PRO 24 24 10050 1 . ARG 25 25 10050 1 . LEU 26 26 10050 1 . LYS 27 27 10050 1 . LYS 28 28 10050 1 . ASP 29 29 10050 1 . ARG 30 30 10050 1 . LYS 31 31 10050 1 . ASN 32 32 10050 1 . LEU 33 33 10050 1 . LEU 34 34 10050 1 . GLU 35 35 10050 1 . THR 36 36 10050 1 . ARG 37 37 10050 1 . LEU 38 38 10050 1 . HIS 39 39 10050 1 . ILE 40 40 10050 1 . THR 41 41 10050 1 . GLY 42 42 10050 1 . ARG 43 43 10050 1 . GLU 44 44 10050 1 . LEU 45 45 10050 1 . ARG 46 46 10050 1 . SER 47 47 10050 1 . LYS 48 48 10050 1 . ILE 49 49 10050 1 . ALA 50 50 10050 1 . GLU 51 51 10050 1 . THR 52 52 10050 1 . PHE 53 53 10050 1 . GLY 54 54 10050 1 . LEU 55 55 10050 1 . GLN 56 56 10050 1 . GLU 57 57 10050 1 . ASN 58 58 10050 1 . TYR 59 59 10050 1 . ILE 60 60 10050 1 . LYS 61 61 10050 1 . ILE 62 62 10050 1 . VAL 63 63 10050 1 . ILE 64 64 10050 1 . ASN 65 65 10050 1 . LYS 66 66 10050 1 . LYS 67 67 10050 1 . GLN 68 68 10050 1 . LEU 69 69 10050 1 . GLN 70 70 10050 1 . LEU 71 71 10050 1 . GLY 72 72 10050 1 . LYS 73 73 10050 1 . THR 74 74 10050 1 . LEU 75 75 10050 1 . GLU 76 76 10050 1 . GLU 77 77 10050 1 . GLN 78 78 10050 1 . GLY 79 79 10050 1 . VAL 80 80 10050 1 . ALA 81 81 10050 1 . HIS 82 82 10050 1 . ASN 83 83 10050 1 . VAL 84 84 10050 1 . LYS 85 85 10050 1 . ALA 86 86 10050 1 . MET 87 87 10050 1 . VAL 88 88 10050 1 . LEU 89 89 10050 1 . GLU 90 90 10050 1 . LEU 91 91 10050 1 . LYS 92 92 10050 1 . GLN 93 93 10050 1 . SER 94 94 10050 1 . SER 95 95 10050 1 . GLY 96 96 10050 1 . PRO 97 97 10050 1 . SER 98 98 10050 1 . SER 99 99 10050 1 . GLY 100 100 10050 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 10050 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10050 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 10050 _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 . . P040301-74 . . . . . . 10050 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10050 _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 'Ubiquitin-like domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 10050 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10050 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10050 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10050 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10050 1 6 H2O . . . . . . solvent 90 . . % . . . . 10050 1 7 D2O . . . . . . solvent 10 . . % . . . . 10050 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 10050 _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 10050 1 pH 7.0 0.05 pH 10050 1 pressure 1 0.001 atm 10050 1 temperature 298 0.1 K 10050 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10050 _Software.ID 1 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10050 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10050 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10050 _Software.ID 2 _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.' . . 10050 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10050 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10050 _Software.ID 3 _Software.Name Kujira _Software.Version 0.896 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10050 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10050 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10050 _Software.ID 4 _Software.Name CYANA _Software.Version 1.0.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10050 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10050 4 'structure solution' 10050 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10050 _Software.ID 5 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10050 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10050 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 10050 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10050 _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 . . . . . . . . . . . . . . . . 10050 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10050 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 10050 _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 10050 _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 10050 _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 . . . . . . . . . 10050 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10050 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10050 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 10050 _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 10050 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10050 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 7 7 GLY HA2 H 1 3.982 0.030 . 1 . . . . 7 GLY HA2 . 10050 1 2 . 1 1 7 7 GLY HA3 H 1 3.982 0.030 . 1 . . . . 7 GLY HA3 . 10050 1 3 . 1 1 7 7 GLY C C 13 174.115 0.300 . 1 . . . . 7 GLY C . 10050 1 4 . 1 1 7 7 GLY CA C 13 45.417 0.300 . 1 . . . . 7 GLY CA . 10050 1 5 . 1 1 8 8 ASP H H 1 8.187 0.030 . 1 . . . . 8 ASP H . 10050 1 6 . 1 1 8 8 ASP HA H 1 4.604 0.030 . 1 . . . . 8 ASP HA . 10050 1 7 . 1 1 8 8 ASP HB2 H 1 2.678 0.030 . 2 . . . . 8 ASP HB2 . 10050 1 8 . 1 1 8 8 ASP HB3 H 1 2.618 0.030 . 2 . . . . 8 ASP HB3 . 10050 1 9 . 1 1 8 8 ASP C C 13 176.369 0.300 . 1 . . . . 8 ASP C . 10050 1 10 . 1 1 8 8 ASP CA C 13 54.583 0.300 . 1 . . . . 8 ASP CA . 10050 1 11 . 1 1 8 8 ASP CB C 13 41.149 0.300 . 1 . . . . 8 ASP CB . 10050 1 12 . 1 1 8 8 ASP N N 15 120.464 0.300 . 1 . . . . 8 ASP N . 10050 1 13 . 1 1 9 9 ASN H H 1 8.383 0.030 . 1 . . . . 9 ASN H . 10050 1 14 . 1 1 9 9 ASN HA H 1 4.658 0.030 . 1 . . . . 9 ASN HA . 10050 1 15 . 1 1 9 9 ASN HB2 H 1 2.791 0.030 . 2 . . . . 9 ASN HB2 . 10050 1 16 . 1 1 9 9 ASN HB3 H 1 2.723 0.030 . 2 . . . . 9 ASN HB3 . 10050 1 17 . 1 1 9 9 ASN C C 13 175.646 0.300 . 1 . . . . 9 ASN C . 10050 1 18 . 1 1 9 9 ASN CA C 13 53.636 0.300 . 1 . . . . 9 ASN CA . 10050 1 19 . 1 1 9 9 ASN CB C 13 38.718 0.300 . 1 . . . . 9 ASN CB . 10050 1 20 . 1 1 9 9 ASN N N 15 118.977 0.300 . 1 . . . . 9 ASN N . 10050 1 21 . 1 1 10 10 TYR H H 1 8.164 0.030 . 1 . . . . 10 TYR H . 10050 1 22 . 1 1 10 10 TYR HA H 1 4.415 0.030 . 1 . . . . 10 TYR HA . 10050 1 23 . 1 1 10 10 TYR HB2 H 1 2.897 0.030 . 1 . . . . 10 TYR HB2 . 10050 1 24 . 1 1 10 10 TYR HB3 H 1 2.897 0.030 . 1 . . . . 10 TYR HB3 . 10050 1 25 . 1 1 10 10 TYR HD1 H 1 6.993 0.030 . 1 . . . . 10 TYR HD1 . 10050 1 26 . 1 1 10 10 TYR HD2 H 1 6.993 0.030 . 1 . . . . 10 TYR HD2 . 10050 1 27 . 1 1 10 10 TYR HE1 H 1 6.796 0.030 . 1 . . . . 10 TYR HE1 . 10050 1 28 . 1 1 10 10 TYR HE2 H 1 6.796 0.030 . 1 . . . . 10 TYR HE2 . 10050 1 29 . 1 1 10 10 TYR C C 13 176.422 0.300 . 1 . . . . 10 TYR C . 10050 1 30 . 1 1 10 10 TYR CA C 13 59.032 0.300 . 1 . . . . 10 TYR CA . 10050 1 31 . 1 1 10 10 TYR CB C 13 38.078 0.300 . 1 . . . . 10 TYR CB . 10050 1 32 . 1 1 10 10 TYR CD1 C 13 133.128 0.300 . 1 . . . . 10 TYR CD1 . 10050 1 33 . 1 1 10 10 TYR CD2 C 13 133.128 0.300 . 1 . . . . 10 TYR CD2 . 10050 1 34 . 1 1 10 10 TYR CE1 C 13 118.230 0.300 . 1 . . . . 10 TYR CE1 . 10050 1 35 . 1 1 10 10 TYR CE2 C 13 118.230 0.300 . 1 . . . . 10 TYR CE2 . 10050 1 36 . 1 1 10 10 TYR N N 15 121.030 0.300 . 1 . . . . 10 TYR N . 10050 1 37 . 1 1 11 11 ARG H H 1 8.104 0.030 . 1 . . . . 11 ARG H . 10050 1 38 . 1 1 11 11 ARG HA H 1 4.141 0.030 . 1 . . . . 11 ARG HA . 10050 1 39 . 1 1 11 11 ARG HB2 H 1 1.810 0.030 . 2 . . . . 11 ARG HB2 . 10050 1 40 . 1 1 11 11 ARG HB3 H 1 1.763 0.030 . 2 . . . . 11 ARG HB3 . 10050 1 41 . 1 1 11 11 ARG HG2 H 1 1.548 0.030 . 1 . . . . 11 ARG HG2 . 10050 1 42 . 1 1 11 11 ARG HG3 H 1 1.548 0.030 . 1 . . . . 11 ARG HG3 . 10050 1 43 . 1 1 11 11 ARG HD2 H 1 3.166 0.030 . 1 . . . . 11 ARG HD2 . 10050 1 44 . 1 1 11 11 ARG HD3 H 1 3.166 0.030 . 1 . . . . 11 ARG HD3 . 10050 1 45 . 1 1 11 11 ARG C C 13 176.714 0.300 . 1 . . . . 11 ARG C . 10050 1 46 . 1 1 11 11 ARG CA C 13 56.934 0.300 . 1 . . . . 11 ARG CA . 10050 1 47 . 1 1 11 11 ARG CB C 13 30.683 0.300 . 1 . . . . 11 ARG CB . 10050 1 48 . 1 1 11 11 ARG CG C 13 27.313 0.300 . 1 . . . . 11 ARG CG . 10050 1 49 . 1 1 11 11 ARG CD C 13 43.274 0.300 . 1 . . . . 11 ARG CD . 10050 1 50 . 1 1 11 11 ARG N N 15 121.285 0.300 . 1 . . . . 11 ARG N . 10050 1 51 . 1 1 12 12 THR H H 1 8.069 0.030 . 1 . . . . 12 THR H . 10050 1 52 . 1 1 12 12 THR HA H 1 4.351 0.030 . 1 . . . . 12 THR HA . 10050 1 53 . 1 1 12 12 THR HB H 1 4.264 0.030 . 1 . . . . 12 THR HB . 10050 1 54 . 1 1 12 12 THR HG21 H 1 1.200 0.030 . 1 . . . . 12 THR HG2 . 10050 1 55 . 1 1 12 12 THR HG22 H 1 1.200 0.030 . 1 . . . . 12 THR HG2 . 10050 1 56 . 1 1 12 12 THR HG23 H 1 1.200 0.030 . 1 . . . . 12 THR HG2 . 10050 1 57 . 1 1 12 12 THR C C 13 175.223 0.300 . 1 . . . . 12 THR C . 10050 1 58 . 1 1 12 12 THR CA C 13 62.453 0.300 . 1 . . . . 12 THR CA . 10050 1 59 . 1 1 12 12 THR CB C 13 69.547 0.300 . 1 . . . . 12 THR CB . 10050 1 60 . 1 1 12 12 THR CG2 C 13 21.616 0.300 . 1 . . . . 12 THR CG2 . 10050 1 61 . 1 1 12 12 THR N N 15 113.209 0.300 . 1 . . . . 12 THR N . 10050 1 62 . 1 1 13 13 THR H H 1 8.070 0.030 . 1 . . . . 13 THR H . 10050 1 63 . 1 1 13 13 THR HA H 1 4.409 0.030 . 1 . . . . 13 THR HA . 10050 1 64 . 1 1 13 13 THR HB H 1 4.268 0.030 . 1 . . . . 13 THR HB . 10050 1 65 . 1 1 13 13 THR HG21 H 1 1.237 0.030 . 1 . . . . 13 THR HG2 . 10050 1 66 . 1 1 13 13 THR HG22 H 1 1.237 0.030 . 1 . . . . 13 THR HG2 . 10050 1 67 . 1 1 13 13 THR HG23 H 1 1.237 0.030 . 1 . . . . 13 THR HG2 . 10050 1 68 . 1 1 13 13 THR C C 13 175.506 0.300 . 1 . . . . 13 THR C . 10050 1 69 . 1 1 13 13 THR CA C 13 62.204 0.300 . 1 . . . . 13 THR CA . 10050 1 70 . 1 1 13 13 THR CB C 13 70.457 0.300 . 1 . . . . 13 THR CB . 10050 1 71 . 1 1 13 13 THR CG2 C 13 21.616 0.300 . 1 . . . . 13 THR CG2 . 10050 1 72 . 1 1 13 13 THR N N 15 113.990 0.300 . 1 . . . . 13 THR N . 10050 1 73 . 1 1 14 14 GLY H H 1 8.490 0.030 . 1 . . . . 14 GLY H . 10050 1 74 . 1 1 14 14 GLY HA2 H 1 4.052 0.030 . 2 . . . . 14 GLY HA2 . 10050 1 75 . 1 1 14 14 GLY HA3 H 1 3.854 0.030 . 2 . . . . 14 GLY HA3 . 10050 1 76 . 1 1 14 14 GLY C C 13 173.309 0.300 . 1 . . . . 14 GLY C . 10050 1 77 . 1 1 14 14 GLY CA C 13 45.723 0.300 . 1 . . . . 14 GLY CA . 10050 1 78 . 1 1 14 14 GLY N N 15 110.740 0.300 . 1 . . . . 14 GLY N . 10050 1 79 . 1 1 15 15 ILE H H 1 7.916 0.030 . 1 . . . . 15 ILE H . 10050 1 80 . 1 1 15 15 ILE HA H 1 4.286 0.030 . 1 . . . . 15 ILE HA . 10050 1 81 . 1 1 15 15 ILE HB H 1 1.683 0.030 . 1 . . . . 15 ILE HB . 10050 1 82 . 1 1 15 15 ILE HG12 H 1 1.422 0.030 . 2 . . . . 15 ILE HG12 . 10050 1 83 . 1 1 15 15 ILE HG13 H 1 0.945 0.030 . 2 . . . . 15 ILE HG13 . 10050 1 84 . 1 1 15 15 ILE HG21 H 1 0.782 0.030 . 1 . . . . 15 ILE HG2 . 10050 1 85 . 1 1 15 15 ILE HG22 H 1 0.782 0.030 . 1 . . . . 15 ILE HG2 . 10050 1 86 . 1 1 15 15 ILE HG23 H 1 0.782 0.030 . 1 . . . . 15 ILE HG2 . 10050 1 87 . 1 1 15 15 ILE HD11 H 1 0.789 0.030 . 1 . . . . 15 ILE HD1 . 10050 1 88 . 1 1 15 15 ILE HD12 H 1 0.789 0.030 . 1 . . . . 15 ILE HD1 . 10050 1 89 . 1 1 15 15 ILE HD13 H 1 0.789 0.030 . 1 . . . . 15 ILE HD1 . 10050 1 90 . 1 1 15 15 ILE C C 13 174.648 0.300 . 1 . . . . 15 ILE C . 10050 1 91 . 1 1 15 15 ILE CA C 13 60.842 0.300 . 1 . . . . 15 ILE CA . 10050 1 92 . 1 1 15 15 ILE CB C 13 39.651 0.300 . 1 . . . . 15 ILE CB . 10050 1 93 . 1 1 15 15 ILE CG1 C 13 27.697 0.300 . 1 . . . . 15 ILE CG1 . 10050 1 94 . 1 1 15 15 ILE CG2 C 13 17.935 0.300 . 1 . . . . 15 ILE CG2 . 10050 1 95 . 1 1 15 15 ILE CD1 C 13 13.027 0.300 . 1 . . . . 15 ILE CD1 . 10050 1 96 . 1 1 15 15 ILE N N 15 120.553 0.300 . 1 . . . . 15 ILE N . 10050 1 97 . 1 1 16 16 ALA H H 1 8.733 0.030 . 1 . . . . 16 ALA H . 10050 1 98 . 1 1 16 16 ALA HA H 1 4.857 0.030 . 1 . . . . 16 ALA HA . 10050 1 99 . 1 1 16 16 ALA HB1 H 1 1.199 0.030 . 1 . . . . 16 ALA HB . 10050 1 100 . 1 1 16 16 ALA HB2 H 1 1.199 0.030 . 1 . . . . 16 ALA HB . 10050 1 101 . 1 1 16 16 ALA HB3 H 1 1.199 0.030 . 1 . . . . 16 ALA HB . 10050 1 102 . 1 1 16 16 ALA C C 13 176.029 0.300 . 1 . . . . 16 ALA C . 10050 1 103 . 1 1 16 16 ALA CA C 13 50.481 0.300 . 1 . . . . 16 ALA CA . 10050 1 104 . 1 1 16 16 ALA CB C 13 21.576 0.300 . 1 . . . . 16 ALA CB . 10050 1 105 . 1 1 16 16 ALA N N 15 130.080 0.300 . 1 . . . . 16 ALA N . 10050 1 106 . 1 1 17 17 THR H H 1 9.708 0.030 . 1 . . . . 17 THR H . 10050 1 107 . 1 1 17 17 THR HA H 1 4.786 0.030 . 1 . . . . 17 THR HA . 10050 1 108 . 1 1 17 17 THR HB H 1 4.031 0.030 . 1 . . . . 17 THR HB . 10050 1 109 . 1 1 17 17 THR HG21 H 1 1.136 0.030 . 1 . . . . 17 THR HG2 . 10050 1 110 . 1 1 17 17 THR HG22 H 1 1.136 0.030 . 1 . . . . 17 THR HG2 . 10050 1 111 . 1 1 17 17 THR HG23 H 1 1.136 0.030 . 1 . . . . 17 THR HG2 . 10050 1 112 . 1 1 17 17 THR C C 13 173.778 0.300 . 1 . . . . 17 THR C . 10050 1 113 . 1 1 17 17 THR CA C 13 62.477 0.300 . 1 . . . . 17 THR CA . 10050 1 114 . 1 1 17 17 THR CB C 13 69.612 0.300 . 1 . . . . 17 THR CB . 10050 1 115 . 1 1 17 17 THR CG2 C 13 22.775 0.300 . 1 . . . . 17 THR CG2 . 10050 1 116 . 1 1 17 17 THR N N 15 118.521 0.300 . 1 . . . . 17 THR N . 10050 1 117 . 1 1 18 18 ILE H H 1 9.149 0.030 . 1 . . . . 18 ILE H . 10050 1 118 . 1 1 18 18 ILE HA H 1 4.586 0.030 . 1 . . . . 18 ILE HA . 10050 1 119 . 1 1 18 18 ILE HB H 1 1.831 0.030 . 1 . . . . 18 ILE HB . 10050 1 120 . 1 1 18 18 ILE HG12 H 1 1.329 0.030 . 2 . . . . 18 ILE HG12 . 10050 1 121 . 1 1 18 18 ILE HG13 H 1 1.009 0.030 . 2 . . . . 18 ILE HG13 . 10050 1 122 . 1 1 18 18 ILE HG21 H 1 0.656 0.030 . 1 . . . . 18 ILE HG2 . 10050 1 123 . 1 1 18 18 ILE HG22 H 1 0.656 0.030 . 1 . . . . 18 ILE HG2 . 10050 1 124 . 1 1 18 18 ILE HG23 H 1 0.656 0.030 . 1 . . . . 18 ILE HG2 . 10050 1 125 . 1 1 18 18 ILE HD11 H 1 0.554 0.030 . 1 . . . . 18 ILE HD1 . 10050 1 126 . 1 1 18 18 ILE HD12 H 1 0.554 0.030 . 1 . . . . 18 ILE HD1 . 10050 1 127 . 1 1 18 18 ILE HD13 H 1 0.554 0.030 . 1 . . . . 18 ILE HD1 . 10050 1 128 . 1 1 18 18 ILE C C 13 174.641 0.300 . 1 . . . . 18 ILE C . 10050 1 129 . 1 1 18 18 ILE CA C 13 59.199 0.300 . 1 . . . . 18 ILE CA . 10050 1 130 . 1 1 18 18 ILE CB C 13 39.745 0.300 . 1 . . . . 18 ILE CB . 10050 1 131 . 1 1 18 18 ILE CG1 C 13 26.605 0.300 . 1 . . . . 18 ILE CG1 . 10050 1 132 . 1 1 18 18 ILE CG2 C 13 17.692 0.300 . 1 . . . . 18 ILE CG2 . 10050 1 133 . 1 1 18 18 ILE CD1 C 13 13.185 0.300 . 1 . . . . 18 ILE CD1 . 10050 1 134 . 1 1 18 18 ILE N N 15 125.883 0.300 . 1 . . . . 18 ILE N . 10050 1 135 . 1 1 19 19 GLU H H 1 8.631 0.030 . 1 . . . . 19 GLU H . 10050 1 136 . 1 1 19 19 GLU HA H 1 4.798 0.030 . 1 . . . . 19 GLU HA . 10050 1 137 . 1 1 19 19 GLU HB2 H 1 1.943 0.030 . 2 . . . . 19 GLU HB2 . 10050 1 138 . 1 1 19 19 GLU HB3 H 1 1.815 0.030 . 2 . . . . 19 GLU HB3 . 10050 1 139 . 1 1 19 19 GLU HG2 H 1 2.101 0.030 . 2 . . . . 19 GLU HG2 . 10050 1 140 . 1 1 19 19 GLU HG3 H 1 1.792 0.030 . 2 . . . . 19 GLU HG3 . 10050 1 141 . 1 1 19 19 GLU C C 13 174.762 0.300 . 1 . . . . 19 GLU C . 10050 1 142 . 1 1 19 19 GLU CA C 13 55.161 0.300 . 1 . . . . 19 GLU CA . 10050 1 143 . 1 1 19 19 GLU CB C 13 30.733 0.300 . 1 . . . . 19 GLU CB . 10050 1 144 . 1 1 19 19 GLU CG C 13 36.516 0.300 . 1 . . . . 19 GLU CG . 10050 1 145 . 1 1 19 19 GLU N N 15 127.262 0.300 . 1 . . . . 19 GLU N . 10050 1 146 . 1 1 20 20 VAL H H 1 8.743 0.030 . 1 . . . . 20 VAL H . 10050 1 147 . 1 1 20 20 VAL HA H 1 4.615 0.030 . 1 . . . . 20 VAL HA . 10050 1 148 . 1 1 20 20 VAL HB H 1 1.636 0.030 . 1 . . . . 20 VAL HB . 10050 1 149 . 1 1 20 20 VAL HG11 H 1 0.537 0.030 . 1 . . . . 20 VAL HG1 . 10050 1 150 . 1 1 20 20 VAL HG12 H 1 0.537 0.030 . 1 . . . . 20 VAL HG1 . 10050 1 151 . 1 1 20 20 VAL HG13 H 1 0.537 0.030 . 1 . . . . 20 VAL HG1 . 10050 1 152 . 1 1 20 20 VAL HG21 H 1 0.829 0.030 . 1 . . . . 20 VAL HG2 . 10050 1 153 . 1 1 20 20 VAL HG22 H 1 0.829 0.030 . 1 . . . . 20 VAL HG2 . 10050 1 154 . 1 1 20 20 VAL HG23 H 1 0.829 0.030 . 1 . . . . 20 VAL HG2 . 10050 1 155 . 1 1 20 20 VAL C C 13 175.095 0.300 . 1 . . . . 20 VAL C . 10050 1 156 . 1 1 20 20 VAL CA C 13 61.631 0.300 . 1 . . . . 20 VAL CA . 10050 1 157 . 1 1 20 20 VAL CB C 13 33.173 0.300 . 1 . . . . 20 VAL CB . 10050 1 158 . 1 1 20 20 VAL CG1 C 13 22.244 0.300 . 2 . . . . 20 VAL CG1 . 10050 1 159 . 1 1 20 20 VAL CG2 C 13 21.885 0.300 . 2 . . . . 20 VAL CG2 . 10050 1 160 . 1 1 20 20 VAL N N 15 125.939 0.300 . 1 . . . . 20 VAL N . 10050 1 161 . 1 1 21 21 PHE H H 1 9.248 0.030 . 1 . . . . 21 PHE H . 10050 1 162 . 1 1 21 21 PHE HA H 1 4.693 0.030 . 1 . . . . 21 PHE HA . 10050 1 163 . 1 1 21 21 PHE HB2 H 1 3.149 0.030 . 1 . . . . 21 PHE HB2 . 10050 1 164 . 1 1 21 21 PHE HB3 H 1 3.149 0.030 . 1 . . . . 21 PHE HB3 . 10050 1 165 . 1 1 21 21 PHE HD1 H 1 7.272 0.030 . 1 . . . . 21 PHE HD1 . 10050 1 166 . 1 1 21 21 PHE HD2 H 1 7.272 0.030 . 1 . . . . 21 PHE HD2 . 10050 1 167 . 1 1 21 21 PHE HE1 H 1 7.252 0.030 . 1 . . . . 21 PHE HE1 . 10050 1 168 . 1 1 21 21 PHE HE2 H 1 7.252 0.030 . 1 . . . . 21 PHE HE2 . 10050 1 169 . 1 1 21 21 PHE HZ H 1 7.248 0.030 . 1 . . . . 21 PHE HZ . 10050 1 170 . 1 1 21 21 PHE C C 13 174.742 0.300 . 1 . . . . 21 PHE C . 10050 1 171 . 1 1 21 21 PHE CA C 13 56.973 0.300 . 1 . . . . 21 PHE CA . 10050 1 172 . 1 1 21 21 PHE CB C 13 39.493 0.300 . 1 . . . . 21 PHE CB . 10050 1 173 . 1 1 21 21 PHE CD1 C 13 131.732 0.300 . 1 . . . . 21 PHE CD1 . 10050 1 174 . 1 1 21 21 PHE CD2 C 13 131.732 0.300 . 1 . . . . 21 PHE CD2 . 10050 1 175 . 1 1 21 21 PHE CE1 C 13 131.283 0.300 . 1 . . . . 21 PHE CE1 . 10050 1 176 . 1 1 21 21 PHE CE2 C 13 131.283 0.300 . 1 . . . . 21 PHE CE2 . 10050 1 177 . 1 1 21 21 PHE CZ C 13 129.553 0.300 . 1 . . . . 21 PHE CZ . 10050 1 178 . 1 1 21 21 PHE N N 15 129.621 0.300 . 1 . . . . 21 PHE N . 10050 1 179 . 1 1 22 22 LEU H H 1 8.307 0.030 . 1 . . . . 22 LEU H . 10050 1 180 . 1 1 22 22 LEU HA H 1 4.446 0.030 . 1 . . . . 22 LEU HA . 10050 1 181 . 1 1 22 22 LEU HB2 H 1 1.481 0.030 . 2 . . . . 22 LEU HB2 . 10050 1 182 . 1 1 22 22 LEU HB3 H 1 1.306 0.030 . 2 . . . . 22 LEU HB3 . 10050 1 183 . 1 1 22 22 LEU HG H 1 1.188 0.030 . 1 . . . . 22 LEU HG . 10050 1 184 . 1 1 22 22 LEU HD11 H 1 0.461 0.030 . 1 . . . . 22 LEU HD1 . 10050 1 185 . 1 1 22 22 LEU HD12 H 1 0.461 0.030 . 1 . . . . 22 LEU HD1 . 10050 1 186 . 1 1 22 22 LEU HD13 H 1 0.461 0.030 . 1 . . . . 22 LEU HD1 . 10050 1 187 . 1 1 22 22 LEU HD21 H 1 0.316 0.030 . 1 . . . . 22 LEU HD2 . 10050 1 188 . 1 1 22 22 LEU HD22 H 1 0.316 0.030 . 1 . . . . 22 LEU HD2 . 10050 1 189 . 1 1 22 22 LEU HD23 H 1 0.316 0.030 . 1 . . . . 22 LEU HD2 . 10050 1 190 . 1 1 22 22 LEU C C 13 173.746 0.300 . 1 . . . . 22 LEU C . 10050 1 191 . 1 1 22 22 LEU CA C 13 52.672 0.300 . 1 . . . . 22 LEU CA . 10050 1 192 . 1 1 22 22 LEU CB C 13 41.663 0.300 . 1 . . . . 22 LEU CB . 10050 1 193 . 1 1 22 22 LEU CG C 13 27.085 0.300 . 1 . . . . 22 LEU CG . 10050 1 194 . 1 1 22 22 LEU CD1 C 13 25.274 0.300 . 2 . . . . 22 LEU CD1 . 10050 1 195 . 1 1 22 22 LEU CD2 C 13 22.297 0.300 . 2 . . . . 22 LEU CD2 . 10050 1 196 . 1 1 22 22 LEU N N 15 124.272 0.300 . 1 . . . . 22 LEU N . 10050 1 197 . 1 1 23 23 PRO HA H 1 4.908 0.030 . 1 . . . . 23 PRO HA . 10050 1 198 . 1 1 23 23 PRO HB2 H 1 2.638 0.030 . 2 . . . . 23 PRO HB2 . 10050 1 199 . 1 1 23 23 PRO HB3 H 1 1.810 0.030 . 2 . . . . 23 PRO HB3 . 10050 1 200 . 1 1 23 23 PRO HG2 H 1 2.107 0.030 . 2 . . . . 23 PRO HG2 . 10050 1 201 . 1 1 23 23 PRO HG3 H 1 1.944 0.030 . 2 . . . . 23 PRO HG3 . 10050 1 202 . 1 1 23 23 PRO HD2 H 1 3.705 0.030 . 2 . . . . 23 PRO HD2 . 10050 1 203 . 1 1 23 23 PRO HD3 H 1 3.339 0.030 . 2 . . . . 23 PRO HD3 . 10050 1 204 . 1 1 23 23 PRO CA C 13 61.641 0.300 . 1 . . . . 23 PRO CA . 10050 1 205 . 1 1 23 23 PRO CB C 13 31.418 0.300 . 1 . . . . 23 PRO CB . 10050 1 206 . 1 1 23 23 PRO CG C 13 28.140 0.300 . 1 . . . . 23 PRO CG . 10050 1 207 . 1 1 23 23 PRO CD C 13 50.113 0.300 . 1 . . . . 23 PRO CD . 10050 1 208 . 1 1 24 24 PRO HA H 1 4.278 0.030 . 1 . . . . 24 PRO HA . 10050 1 209 . 1 1 24 24 PRO HB2 H 1 2.406 0.030 . 2 . . . . 24 PRO HB2 . 10050 1 210 . 1 1 24 24 PRO HB3 H 1 2.002 0.030 . 2 . . . . 24 PRO HB3 . 10050 1 211 . 1 1 24 24 PRO HG2 H 1 2.184 0.030 . 2 . . . . 24 PRO HG2 . 10050 1 212 . 1 1 24 24 PRO HG3 H 1 2.100 0.030 . 2 . . . . 24 PRO HG3 . 10050 1 213 . 1 1 24 24 PRO HD2 H 1 3.979 0.030 . 2 . . . . 24 PRO HD2 . 10050 1 214 . 1 1 24 24 PRO HD3 H 1 3.928 0.030 . 2 . . . . 24 PRO HD3 . 10050 1 215 . 1 1 24 24 PRO C C 13 178.330 0.300 . 1 . . . . 24 PRO C . 10050 1 216 . 1 1 24 24 PRO CA C 13 65.395 0.300 . 1 . . . . 24 PRO CA . 10050 1 217 . 1 1 24 24 PRO CB C 13 32.086 0.300 . 1 . . . . 24 PRO CB . 10050 1 218 . 1 1 24 24 PRO CG C 13 27.494 0.300 . 1 . . . . 24 PRO CG . 10050 1 219 . 1 1 24 24 PRO CD C 13 51.186 0.300 . 1 . . . . 24 PRO CD . 10050 1 220 . 1 1 25 25 ARG H H 1 8.457 0.030 . 1 . . . . 25 ARG H . 10050 1 221 . 1 1 25 25 ARG HA H 1 4.246 0.030 . 1 . . . . 25 ARG HA . 10050 1 222 . 1 1 25 25 ARG HB2 H 1 1.954 0.030 . 2 . . . . 25 ARG HB2 . 10050 1 223 . 1 1 25 25 ARG HB3 H 1 1.780 0.030 . 2 . . . . 25 ARG HB3 . 10050 1 224 . 1 1 25 25 ARG HG2 H 1 1.465 0.030 . 1 . . . . 25 ARG HG2 . 10050 1 225 . 1 1 25 25 ARG HG3 H 1 1.465 0.030 . 1 . . . . 25 ARG HG3 . 10050 1 226 . 1 1 25 25 ARG HD2 H 1 3.155 0.030 . 1 . . . . 25 ARG HD2 . 10050 1 227 . 1 1 25 25 ARG HD3 H 1 3.155 0.030 . 1 . . . . 25 ARG HD3 . 10050 1 228 . 1 1 25 25 ARG C C 13 176.684 0.300 . 1 . . . . 25 ARG C . 10050 1 229 . 1 1 25 25 ARG CA C 13 57.854 0.300 . 1 . . . . 25 ARG CA . 10050 1 230 . 1 1 25 25 ARG CB C 13 29.323 0.300 . 1 . . . . 25 ARG CB . 10050 1 231 . 1 1 25 25 ARG CG C 13 27.450 0.300 . 1 . . . . 25 ARG CG . 10050 1 232 . 1 1 25 25 ARG CD C 13 43.027 0.300 . 1 . . . . 25 ARG CD . 10050 1 233 . 1 1 25 25 ARG N N 15 115.773 0.300 . 1 . . . . 25 ARG N . 10050 1 234 . 1 1 26 26 LEU H H 1 7.848 0.030 . 1 . . . . 26 LEU H . 10050 1 235 . 1 1 26 26 LEU HA H 1 4.360 0.030 . 1 . . . . 26 LEU HA . 10050 1 236 . 1 1 26 26 LEU HB2 H 1 1.639 0.030 . 1 . . . . 26 LEU HB2 . 10050 1 237 . 1 1 26 26 LEU HB3 H 1 1.639 0.030 . 1 . . . . 26 LEU HB3 . 10050 1 238 . 1 1 26 26 LEU HG H 1 1.560 0.030 . 1 . . . . 26 LEU HG . 10050 1 239 . 1 1 26 26 LEU HD11 H 1 0.952 0.030 . 1 . . . . 26 LEU HD1 . 10050 1 240 . 1 1 26 26 LEU HD12 H 1 0.952 0.030 . 1 . . . . 26 LEU HD1 . 10050 1 241 . 1 1 26 26 LEU HD13 H 1 0.952 0.030 . 1 . . . . 26 LEU HD1 . 10050 1 242 . 1 1 26 26 LEU HD21 H 1 0.920 0.030 . 1 . . . . 26 LEU HD2 . 10050 1 243 . 1 1 26 26 LEU HD22 H 1 0.920 0.030 . 1 . . . . 26 LEU HD2 . 10050 1 244 . 1 1 26 26 LEU HD23 H 1 0.920 0.030 . 1 . . . . 26 LEU HD2 . 10050 1 245 . 1 1 26 26 LEU C C 13 176.396 0.300 . 1 . . . . 26 LEU C . 10050 1 246 . 1 1 26 26 LEU CA C 13 54.929 0.300 . 1 . . . . 26 LEU CA . 10050 1 247 . 1 1 26 26 LEU CB C 13 42.658 0.300 . 1 . . . . 26 LEU CB . 10050 1 248 . 1 1 26 26 LEU CG C 13 27.792 0.300 . 1 . . . . 26 LEU CG . 10050 1 249 . 1 1 26 26 LEU CD1 C 13 25.884 0.300 . 2 . . . . 26 LEU CD1 . 10050 1 250 . 1 1 26 26 LEU CD2 C 13 22.834 0.300 . 2 . . . . 26 LEU CD2 . 10050 1 251 . 1 1 26 26 LEU N N 15 119.035 0.300 . 1 . . . . 26 LEU N . 10050 1 252 . 1 1 27 27 LYS H H 1 7.788 0.030 . 1 . . . . 27 LYS H . 10050 1 253 . 1 1 27 27 LYS HA H 1 4.022 0.030 . 1 . . . . 27 LYS HA . 10050 1 254 . 1 1 27 27 LYS HB2 H 1 1.873 0.030 . 1 . . . . 27 LYS HB2 . 10050 1 255 . 1 1 27 27 LYS HB3 H 1 1.873 0.030 . 1 . . . . 27 LYS HB3 . 10050 1 256 . 1 1 27 27 LYS HG2 H 1 1.452 0.030 . 2 . . . . 27 LYS HG2 . 10050 1 257 . 1 1 27 27 LYS HG3 H 1 1.412 0.030 . 2 . . . . 27 LYS HG3 . 10050 1 258 . 1 1 27 27 LYS HD2 H 1 1.722 0.030 . 1 . . . . 27 LYS HD2 . 10050 1 259 . 1 1 27 27 LYS HD3 H 1 1.722 0.030 . 1 . . . . 27 LYS HD3 . 10050 1 260 . 1 1 27 27 LYS HE2 H 1 3.015 0.030 . 1 . . . . 27 LYS HE2 . 10050 1 261 . 1 1 27 27 LYS HE3 H 1 3.015 0.030 . 1 . . . . 27 LYS HE3 . 10050 1 262 . 1 1 27 27 LYS C C 13 176.005 0.300 . 1 . . . . 27 LYS C . 10050 1 263 . 1 1 27 27 LYS CA C 13 57.351 0.300 . 1 . . . . 27 LYS CA . 10050 1 264 . 1 1 27 27 LYS CB C 13 31.712 0.300 . 1 . . . . 27 LYS CB . 10050 1 265 . 1 1 27 27 LYS CG C 13 24.765 0.300 . 1 . . . . 27 LYS CG . 10050 1 266 . 1 1 27 27 LYS CD C 13 29.255 0.300 . 1 . . . . 27 LYS CD . 10050 1 267 . 1 1 27 27 LYS CE C 13 42.285 0.300 . 1 . . . . 27 LYS CE . 10050 1 268 . 1 1 27 27 LYS N N 15 118.402 0.300 . 1 . . . . 27 LYS N . 10050 1 269 . 1 1 28 28 LYS H H 1 8.432 0.030 . 1 . . . . 28 LYS H . 10050 1 270 . 1 1 28 28 LYS HA H 1 4.545 0.030 . 1 . . . . 28 LYS HA . 10050 1 271 . 1 1 28 28 LYS HB2 H 1 1.926 0.030 . 2 . . . . 28 LYS HB2 . 10050 1 272 . 1 1 28 28 LYS HB3 H 1 1.739 0.030 . 2 . . . . 28 LYS HB3 . 10050 1 273 . 1 1 28 28 LYS HG2 H 1 1.438 0.030 . 1 . . . . 28 LYS HG2 . 10050 1 274 . 1 1 28 28 LYS HG3 H 1 1.438 0.030 . 1 . . . . 28 LYS HG3 . 10050 1 275 . 1 1 28 28 LYS HD2 H 1 1.690 0.030 . 1 . . . . 28 LYS HD2 . 10050 1 276 . 1 1 28 28 LYS HD3 H 1 1.690 0.030 . 1 . . . . 28 LYS HD3 . 10050 1 277 . 1 1 28 28 LYS HE2 H 1 3.076 0.030 . 2 . . . . 28 LYS HE2 . 10050 1 278 . 1 1 28 28 LYS HE3 H 1 3.030 0.030 . 2 . . . . 28 LYS HE3 . 10050 1 279 . 1 1 28 28 LYS C C 13 176.102 0.300 . 1 . . . . 28 LYS C . 10050 1 280 . 1 1 28 28 LYS CA C 13 55.097 0.300 . 1 . . . . 28 LYS CA . 10050 1 281 . 1 1 28 28 LYS CB C 13 33.256 0.300 . 1 . . . . 28 LYS CB . 10050 1 282 . 1 1 28 28 LYS CG C 13 24.623 0.300 . 1 . . . . 28 LYS CG . 10050 1 283 . 1 1 28 28 LYS CE C 13 42.353 0.300 . 1 . . . . 28 LYS CE . 10050 1 284 . 1 1 28 28 LYS N N 15 122.710 0.300 . 1 . . . . 28 LYS N . 10050 1 285 . 1 1 29 29 ASP HA H 1 4.623 0.030 . 1 . . . . 29 ASP HA . 10050 1 286 . 1 1 29 29 ASP HB2 H 1 2.722 0.030 . 2 . . . . 29 ASP HB2 . 10050 1 287 . 1 1 29 29 ASP HB3 H 1 2.675 0.030 . 2 . . . . 29 ASP HB3 . 10050 1 288 . 1 1 29 29 ASP C C 13 175.915 0.300 . 1 . . . . 29 ASP C . 10050 1 289 . 1 1 29 29 ASP CA C 13 54.483 0.300 . 1 . . . . 29 ASP CA . 10050 1 290 . 1 1 29 29 ASP CB C 13 40.909 0.300 . 1 . . . . 29 ASP CB . 10050 1 291 . 1 1 30 30 ARG H H 1 7.986 0.030 . 1 . . . . 30 ARG H . 10050 1 292 . 1 1 30 30 ARG HA H 1 4.373 0.030 . 1 . . . . 30 ARG HA . 10050 1 293 . 1 1 30 30 ARG HB2 H 1 1.889 0.030 . 2 . . . . 30 ARG HB2 . 10050 1 294 . 1 1 30 30 ARG HB3 H 1 1.816 0.030 . 2 . . . . 30 ARG HB3 . 10050 1 295 . 1 1 30 30 ARG HG2 H 1 1.626 0.030 . 1 . . . . 30 ARG HG2 . 10050 1 296 . 1 1 30 30 ARG HG3 H 1 1.626 0.030 . 1 . . . . 30 ARG HG3 . 10050 1 297 . 1 1 30 30 ARG HD2 H 1 3.225 0.030 . 1 . . . . 30 ARG HD2 . 10050 1 298 . 1 1 30 30 ARG HD3 H 1 3.225 0.030 . 1 . . . . 30 ARG HD3 . 10050 1 299 . 1 1 30 30 ARG C C 13 175.482 0.300 . 1 . . . . 30 ARG C . 10050 1 300 . 1 1 30 30 ARG CA C 13 55.839 0.300 . 1 . . . . 30 ARG CA . 10050 1 301 . 1 1 30 30 ARG CB C 13 31.424 0.300 . 1 . . . . 30 ARG CB . 10050 1 302 . 1 1 30 30 ARG CG C 13 26.765 0.300 . 1 . . . . 30 ARG CG . 10050 1 303 . 1 1 30 30 ARG CD C 13 43.521 0.300 . 1 . . . . 30 ARG CD . 10050 1 304 . 1 1 30 30 ARG N N 15 119.481 0.300 . 1 . . . . 30 ARG N . 10050 1 305 . 1 1 31 31 LYS H H 1 8.235 0.030 . 1 . . . . 31 LYS H . 10050 1 306 . 1 1 31 31 LYS HA H 1 4.190 0.030 . 1 . . . . 31 LYS HA . 10050 1 307 . 1 1 31 31 LYS HB2 H 1 1.656 0.030 . 1 . . . . 31 LYS HB2 . 10050 1 308 . 1 1 31 31 LYS HB3 H 1 1.656 0.030 . 1 . . . . 31 LYS HB3 . 10050 1 309 . 1 1 31 31 LYS HG2 H 1 1.365 0.030 . 2 . . . . 31 LYS HG2 . 10050 1 310 . 1 1 31 31 LYS HG3 H 1 1.253 0.030 . 2 . . . . 31 LYS HG3 . 10050 1 311 . 1 1 31 31 LYS HD2 H 1 1.637 0.030 . 1 . . . . 31 LYS HD2 . 10050 1 312 . 1 1 31 31 LYS HD3 H 1 1.637 0.030 . 1 . . . . 31 LYS HD3 . 10050 1 313 . 1 1 31 31 LYS HE2 H 1 2.922 0.030 . 1 . . . . 31 LYS HE2 . 10050 1 314 . 1 1 31 31 LYS HE3 H 1 2.922 0.030 . 1 . . . . 31 LYS HE3 . 10050 1 315 . 1 1 31 31 LYS C C 13 175.785 0.300 . 1 . . . . 31 LYS C . 10050 1 316 . 1 1 31 31 LYS CA C 13 56.523 0.300 . 1 . . . . 31 LYS CA . 10050 1 317 . 1 1 31 31 LYS CB C 13 32.872 0.300 . 1 . . . . 31 LYS CB . 10050 1 318 . 1 1 31 31 LYS CG C 13 24.718 0.300 . 1 . . . . 31 LYS CG . 10050 1 319 . 1 1 31 31 LYS CD C 13 29.345 0.300 . 1 . . . . 31 LYS CD . 10050 1 320 . 1 1 31 31 LYS CE C 13 41.955 0.300 . 1 . . . . 31 LYS CE . 10050 1 321 . 1 1 31 31 LYS N N 15 120.739 0.300 . 1 . . . . 31 LYS N . 10050 1 322 . 1 1 32 32 ASN H H 1 8.699 0.030 . 1 . . . . 32 ASN H . 10050 1 323 . 1 1 32 32 ASN HA H 1 4.950 0.030 . 1 . . . . 32 ASN HA . 10050 1 324 . 1 1 32 32 ASN HB2 H 1 3.027 0.030 . 2 . . . . 32 ASN HB2 . 10050 1 325 . 1 1 32 32 ASN HB3 H 1 2.359 0.030 . 2 . . . . 32 ASN HB3 . 10050 1 326 . 1 1 32 32 ASN HD21 H 1 6.995 0.030 . 2 . . . . 32 ASN HD21 . 10050 1 327 . 1 1 32 32 ASN HD22 H 1 6.700 0.030 . 2 . . . . 32 ASN HD22 . 10050 1 328 . 1 1 32 32 ASN C C 13 172.973 0.300 . 1 . . . . 32 ASN C . 10050 1 329 . 1 1 32 32 ASN CA C 13 52.606 0.300 . 1 . . . . 32 ASN CA . 10050 1 330 . 1 1 32 32 ASN CB C 13 40.079 0.300 . 1 . . . . 32 ASN CB . 10050 1 331 . 1 1 32 32 ASN N N 15 123.207 0.300 . 1 . . . . 32 ASN N . 10050 1 332 . 1 1 32 32 ASN ND2 N 15 113.856 0.300 . 1 . . . . 32 ASN ND2 . 10050 1 333 . 1 1 33 33 LEU H H 1 8.397 0.030 . 1 . . . . 33 LEU H . 10050 1 334 . 1 1 33 33 LEU HA H 1 5.156 0.030 . 1 . . . . 33 LEU HA . 10050 1 335 . 1 1 33 33 LEU HB2 H 1 1.740 0.030 . 2 . . . . 33 LEU HB2 . 10050 1 336 . 1 1 33 33 LEU HB3 H 1 1.297 0.030 . 2 . . . . 33 LEU HB3 . 10050 1 337 . 1 1 33 33 LEU HG H 1 1.534 0.030 . 1 . . . . 33 LEU HG . 10050 1 338 . 1 1 33 33 LEU HD11 H 1 0.771 0.030 . 1 . . . . 33 LEU HD1 . 10050 1 339 . 1 1 33 33 LEU HD12 H 1 0.771 0.030 . 1 . . . . 33 LEU HD1 . 10050 1 340 . 1 1 33 33 LEU HD13 H 1 0.771 0.030 . 1 . . . . 33 LEU HD1 . 10050 1 341 . 1 1 33 33 LEU HD21 H 1 0.878 0.030 . 1 . . . . 33 LEU HD2 . 10050 1 342 . 1 1 33 33 LEU HD22 H 1 0.878 0.030 . 1 . . . . 33 LEU HD2 . 10050 1 343 . 1 1 33 33 LEU HD23 H 1 0.878 0.030 . 1 . . . . 33 LEU HD2 . 10050 1 344 . 1 1 33 33 LEU C C 13 176.095 0.300 . 1 . . . . 33 LEU C . 10050 1 345 . 1 1 33 33 LEU CA C 13 54.017 0.300 . 1 . . . . 33 LEU CA . 10050 1 346 . 1 1 33 33 LEU CB C 13 43.826 0.300 . 1 . . . . 33 LEU CB . 10050 1 347 . 1 1 33 33 LEU CG C 13 27.038 0.300 . 1 . . . . 33 LEU CG . 10050 1 348 . 1 1 33 33 LEU CD1 C 13 23.411 0.300 . 2 . . . . 33 LEU CD1 . 10050 1 349 . 1 1 33 33 LEU CD2 C 13 25.225 0.300 . 2 . . . . 33 LEU CD2 . 10050 1 350 . 1 1 33 33 LEU N N 15 122.868 0.300 . 1 . . . . 33 LEU N . 10050 1 351 . 1 1 34 34 LEU H H 1 9.085 0.030 . 1 . . . . 34 LEU H . 10050 1 352 . 1 1 34 34 LEU HA H 1 4.670 0.030 . 1 . . . . 34 LEU HA . 10050 1 353 . 1 1 34 34 LEU HB2 H 1 1.636 0.030 . 2 . . . . 34 LEU HB2 . 10050 1 354 . 1 1 34 34 LEU HB3 H 1 1.403 0.030 . 2 . . . . 34 LEU HB3 . 10050 1 355 . 1 1 34 34 LEU HG H 1 1.548 0.030 . 1 . . . . 34 LEU HG . 10050 1 356 . 1 1 34 34 LEU HD11 H 1 0.877 0.030 . 1 . . . . 34 LEU HD1 . 10050 1 357 . 1 1 34 34 LEU HD12 H 1 0.877 0.030 . 1 . . . . 34 LEU HD1 . 10050 1 358 . 1 1 34 34 LEU HD13 H 1 0.877 0.030 . 1 . . . . 34 LEU HD1 . 10050 1 359 . 1 1 34 34 LEU HD21 H 1 0.749 0.030 . 1 . . . . 34 LEU HD2 . 10050 1 360 . 1 1 34 34 LEU HD22 H 1 0.749 0.030 . 1 . . . . 34 LEU HD2 . 10050 1 361 . 1 1 34 34 LEU HD23 H 1 0.749 0.030 . 1 . . . . 34 LEU HD2 . 10050 1 362 . 1 1 34 34 LEU C C 13 174.657 0.300 . 1 . . . . 34 LEU C . 10050 1 363 . 1 1 34 34 LEU CA C 13 53.865 0.300 . 1 . . . . 34 LEU CA . 10050 1 364 . 1 1 34 34 LEU CB C 13 46.284 0.300 . 1 . . . . 34 LEU CB . 10050 1 365 . 1 1 34 34 LEU CG C 13 27.321 0.300 . 1 . . . . 34 LEU CG . 10050 1 366 . 1 1 34 34 LEU CD1 C 13 25.252 0.300 . 2 . . . . 34 LEU CD1 . 10050 1 367 . 1 1 34 34 LEU CD2 C 13 26.300 0.300 . 2 . . . . 34 LEU CD2 . 10050 1 368 . 1 1 34 34 LEU N N 15 124.894 0.300 . 1 . . . . 34 LEU N . 10050 1 369 . 1 1 35 35 GLU H H 1 8.658 0.030 . 1 . . . . 35 GLU H . 10050 1 370 . 1 1 35 35 GLU HA H 1 5.245 0.030 . 1 . . . . 35 GLU HA . 10050 1 371 . 1 1 35 35 GLU HB2 H 1 1.899 0.030 . 2 . . . . 35 GLU HB2 . 10050 1 372 . 1 1 35 35 GLU HB3 H 1 1.838 0.030 . 2 . . . . 35 GLU HB3 . 10050 1 373 . 1 1 35 35 GLU HG2 H 1 2.201 0.030 . 2 . . . . 35 GLU HG2 . 10050 1 374 . 1 1 35 35 GLU HG3 H 1 2.123 0.030 . 2 . . . . 35 GLU HG3 . 10050 1 375 . 1 1 35 35 GLU C C 13 176.339 0.300 . 1 . . . . 35 GLU C . 10050 1 376 . 1 1 35 35 GLU CA C 13 55.160 0.300 . 1 . . . . 35 GLU CA . 10050 1 377 . 1 1 35 35 GLU CB C 13 31.218 0.300 . 1 . . . . 35 GLU CB . 10050 1 378 . 1 1 35 35 GLU CG C 13 37.001 0.300 . 1 . . . . 35 GLU CG . 10050 1 379 . 1 1 35 35 GLU N N 15 125.624 0.300 . 1 . . . . 35 GLU N . 10050 1 380 . 1 1 36 36 THR H H 1 9.150 0.030 . 1 . . . . 36 THR H . 10050 1 381 . 1 1 36 36 THR HA H 1 4.716 0.030 . 1 . . . . 36 THR HA . 10050 1 382 . 1 1 36 36 THR HB H 1 3.748 0.030 . 1 . . . . 36 THR HB . 10050 1 383 . 1 1 36 36 THR HG21 H 1 0.850 0.030 . 1 . . . . 36 THR HG2 . 10050 1 384 . 1 1 36 36 THR HG22 H 1 0.850 0.030 . 1 . . . . 36 THR HG2 . 10050 1 385 . 1 1 36 36 THR HG23 H 1 0.850 0.030 . 1 . . . . 36 THR HG2 . 10050 1 386 . 1 1 36 36 THR C C 13 172.155 0.300 . 1 . . . . 36 THR C . 10050 1 387 . 1 1 36 36 THR CA C 13 60.189 0.300 . 1 . . . . 36 THR CA . 10050 1 388 . 1 1 36 36 THR CB C 13 69.964 0.300 . 1 . . . . 36 THR CB . 10050 1 389 . 1 1 36 36 THR CG2 C 13 19.043 0.300 . 1 . . . . 36 THR CG2 . 10050 1 390 . 1 1 36 36 THR N N 15 118.307 0.300 . 1 . . . . 36 THR N . 10050 1 391 . 1 1 37 37 ARG H H 1 8.464 0.030 . 1 . . . . 37 ARG H . 10050 1 392 . 1 1 37 37 ARG HA H 1 4.903 0.030 . 1 . . . . 37 ARG HA . 10050 1 393 . 1 1 37 37 ARG HB2 H 1 2.049 0.030 . 2 . . . . 37 ARG HB2 . 10050 1 394 . 1 1 37 37 ARG HB3 H 1 1.682 0.030 . 2 . . . . 37 ARG HB3 . 10050 1 395 . 1 1 37 37 ARG HG2 H 1 1.851 0.030 . 2 . . . . 37 ARG HG2 . 10050 1 396 . 1 1 37 37 ARG HG3 H 1 1.715 0.030 . 2 . . . . 37 ARG HG3 . 10050 1 397 . 1 1 37 37 ARG HD2 H 1 3.288 0.030 . 1 . . . . 37 ARG HD2 . 10050 1 398 . 1 1 37 37 ARG HD3 H 1 3.288 0.030 . 1 . . . . 37 ARG HD3 . 10050 1 399 . 1 1 37 37 ARG C C 13 178.311 0.300 . 1 . . . . 37 ARG C . 10050 1 400 . 1 1 37 37 ARG CA C 13 56.109 0.300 . 1 . . . . 37 ARG CA . 10050 1 401 . 1 1 37 37 ARG CB C 13 31.259 0.300 . 1 . . . . 37 ARG CB . 10050 1 402 . 1 1 37 37 ARG CG C 13 28.516 0.300 . 1 . . . . 37 ARG CG . 10050 1 403 . 1 1 37 37 ARG CD C 13 43.111 0.300 . 1 . . . . 37 ARG CD . 10050 1 404 . 1 1 37 37 ARG N N 15 125.218 0.300 . 1 . . . . 37 ARG N . 10050 1 405 . 1 1 38 38 LEU H H 1 8.706 0.030 . 1 . . . . 38 LEU H . 10050 1 406 . 1 1 38 38 LEU HA H 1 4.320 0.030 . 1 . . . . 38 LEU HA . 10050 1 407 . 1 1 38 38 LEU HB2 H 1 1.795 0.030 . 2 . . . . 38 LEU HB2 . 10050 1 408 . 1 1 38 38 LEU HB3 H 1 1.477 0.030 . 2 . . . . 38 LEU HB3 . 10050 1 409 . 1 1 38 38 LEU HG H 1 1.535 0.030 . 1 . . . . 38 LEU HG . 10050 1 410 . 1 1 38 38 LEU HD11 H 1 0.812 0.030 . 1 . . . . 38 LEU HD1 . 10050 1 411 . 1 1 38 38 LEU HD12 H 1 0.812 0.030 . 1 . . . . 38 LEU HD1 . 10050 1 412 . 1 1 38 38 LEU HD13 H 1 0.812 0.030 . 1 . . . . 38 LEU HD1 . 10050 1 413 . 1 1 38 38 LEU HD21 H 1 0.525 0.030 . 1 . . . . 38 LEU HD2 . 10050 1 414 . 1 1 38 38 LEU HD22 H 1 0.525 0.030 . 1 . . . . 38 LEU HD2 . 10050 1 415 . 1 1 38 38 LEU HD23 H 1 0.525 0.030 . 1 . . . . 38 LEU HD2 . 10050 1 416 . 1 1 38 38 LEU C C 13 176.005 0.300 . 1 . . . . 38 LEU C . 10050 1 417 . 1 1 38 38 LEU CA C 13 55.820 0.300 . 1 . . . . 38 LEU CA . 10050 1 418 . 1 1 38 38 LEU CB C 13 42.301 0.300 . 1 . . . . 38 LEU CB . 10050 1 419 . 1 1 38 38 LEU CG C 13 26.943 0.300 . 1 . . . . 38 LEU CG . 10050 1 420 . 1 1 38 38 LEU CD1 C 13 25.472 0.300 . 2 . . . . 38 LEU CD1 . 10050 1 421 . 1 1 38 38 LEU CD2 C 13 23.139 0.300 . 2 . . . . 38 LEU CD2 . 10050 1 422 . 1 1 38 38 LEU N N 15 117.436 0.300 . 1 . . . . 38 LEU N . 10050 1 423 . 1 1 39 39 HIS H H 1 7.576 0.030 . 1 . . . . 39 HIS H . 10050 1 424 . 1 1 39 39 HIS HA H 1 4.763 0.030 . 1 . . . . 39 HIS HA . 10050 1 425 . 1 1 39 39 HIS HB2 H 1 3.383 0.030 . 2 . . . . 39 HIS HB2 . 10050 1 426 . 1 1 39 39 HIS HB3 H 1 3.068 0.030 . 2 . . . . 39 HIS HB3 . 10050 1 427 . 1 1 39 39 HIS HD2 H 1 6.946 0.030 . 1 . . . . 39 HIS HD2 . 10050 1 428 . 1 1 39 39 HIS HE1 H 1 7.682 0.030 . 1 . . . . 39 HIS HE1 . 10050 1 429 . 1 1 39 39 HIS C C 13 174.883 0.300 . 1 . . . . 39 HIS C . 10050 1 430 . 1 1 39 39 HIS CA C 13 56.686 0.300 . 1 . . . . 39 HIS CA . 10050 1 431 . 1 1 39 39 HIS CB C 13 30.144 0.300 . 1 . . . . 39 HIS CB . 10050 1 432 . 1 1 39 39 HIS CD2 C 13 119.402 0.300 . 1 . . . . 39 HIS CD2 . 10050 1 433 . 1 1 39 39 HIS CE1 C 13 138.816 0.300 . 1 . . . . 39 HIS CE1 . 10050 1 434 . 1 1 39 39 HIS N N 15 114.796 0.300 . 1 . . . . 39 HIS N . 10050 1 435 . 1 1 40 40 ILE H H 1 6.335 0.030 . 1 . . . . 40 ILE H . 10050 1 436 . 1 1 40 40 ILE HA H 1 4.364 0.030 . 1 . . . . 40 ILE HA . 10050 1 437 . 1 1 40 40 ILE HB H 1 2.000 0.030 . 1 . . . . 40 ILE HB . 10050 1 438 . 1 1 40 40 ILE HG12 H 1 1.204 0.030 . 1 . . . . 40 ILE HG12 . 10050 1 439 . 1 1 40 40 ILE HG13 H 1 1.204 0.030 . 1 . . . . 40 ILE HG13 . 10050 1 440 . 1 1 40 40 ILE HG21 H 1 0.660 0.030 . 1 . . . . 40 ILE HG2 . 10050 1 441 . 1 1 40 40 ILE HG22 H 1 0.660 0.030 . 1 . . . . 40 ILE HG2 . 10050 1 442 . 1 1 40 40 ILE HG23 H 1 0.660 0.030 . 1 . . . . 40 ILE HG2 . 10050 1 443 . 1 1 40 40 ILE HD11 H 1 0.750 0.030 . 1 . . . . 40 ILE HD1 . 10050 1 444 . 1 1 40 40 ILE HD12 H 1 0.750 0.030 . 1 . . . . 40 ILE HD1 . 10050 1 445 . 1 1 40 40 ILE HD13 H 1 0.750 0.030 . 1 . . . . 40 ILE HD1 . 10050 1 446 . 1 1 40 40 ILE C C 13 175.093 0.300 . 1 . . . . 40 ILE C . 10050 1 447 . 1 1 40 40 ILE CA C 13 60.628 0.300 . 1 . . . . 40 ILE CA . 10050 1 448 . 1 1 40 40 ILE CB C 13 38.430 0.300 . 1 . . . . 40 ILE CB . 10050 1 449 . 1 1 40 40 ILE CG1 C 13 24.537 0.300 . 1 . . . . 40 ILE CG1 . 10050 1 450 . 1 1 40 40 ILE CG2 C 13 17.311 0.300 . 1 . . . . 40 ILE CG2 . 10050 1 451 . 1 1 40 40 ILE CD1 C 13 14.497 0.300 . 1 . . . . 40 ILE CD1 . 10050 1 452 . 1 1 40 40 ILE N N 15 112.451 0.300 . 1 . . . . 40 ILE N . 10050 1 453 . 1 1 41 41 THR H H 1 8.647 0.030 . 1 . . . . 41 THR H . 10050 1 454 . 1 1 41 41 THR HA H 1 4.591 0.030 . 1 . . . . 41 THR HA . 10050 1 455 . 1 1 41 41 THR HB H 1 4.603 0.030 . 1 . . . . 41 THR HB . 10050 1 456 . 1 1 41 41 THR HG21 H 1 1.266 0.030 . 1 . . . . 41 THR HG2 . 10050 1 457 . 1 1 41 41 THR HG22 H 1 1.266 0.030 . 1 . . . . 41 THR HG2 . 10050 1 458 . 1 1 41 41 THR HG23 H 1 1.266 0.030 . 1 . . . . 41 THR HG2 . 10050 1 459 . 1 1 41 41 THR C C 13 177.294 0.300 . 1 . . . . 41 THR C . 10050 1 460 . 1 1 41 41 THR CA C 13 61.204 0.300 . 1 . . . . 41 THR CA . 10050 1 461 . 1 1 41 41 THR CB C 13 72.010 0.300 . 1 . . . . 41 THR CB . 10050 1 462 . 1 1 41 41 THR CG2 C 13 22.116 0.300 . 1 . . . . 41 THR CG2 . 10050 1 463 . 1 1 41 41 THR N N 15 109.245 0.300 . 1 . . . . 41 THR N . 10050 1 464 . 1 1 42 42 GLY H H 1 8.253 0.030 . 1 . . . . 42 GLY H . 10050 1 465 . 1 1 42 42 GLY HA2 H 1 4.219 0.030 . 2 . . . . 42 GLY HA2 . 10050 1 466 . 1 1 42 42 GLY HA3 H 1 3.758 0.030 . 2 . . . . 42 GLY HA3 . 10050 1 467 . 1 1 42 42 GLY C C 13 175.021 0.300 . 1 . . . . 42 GLY C . 10050 1 468 . 1 1 42 42 GLY CA C 13 48.203 0.300 . 1 . . . . 42 GLY CA . 10050 1 469 . 1 1 42 42 GLY N N 15 105.803 0.300 . 1 . . . . 42 GLY N . 10050 1 470 . 1 1 43 43 ARG H H 1 9.282 0.030 . 1 . . . . 43 ARG H . 10050 1 471 . 1 1 43 43 ARG HA H 1 3.826 0.030 . 1 . . . . 43 ARG HA . 10050 1 472 . 1 1 43 43 ARG HB2 H 1 1.962 0.030 . 2 . . . . 43 ARG HB2 . 10050 1 473 . 1 1 43 43 ARG HB3 H 1 1.862 0.030 . 2 . . . . 43 ARG HB3 . 10050 1 474 . 1 1 43 43 ARG HG2 H 1 1.656 0.030 . 1 . . . . 43 ARG HG2 . 10050 1 475 . 1 1 43 43 ARG HG3 H 1 1.656 0.030 . 1 . . . . 43 ARG HG3 . 10050 1 476 . 1 1 43 43 ARG HD2 H 1 3.286 0.030 . 2 . . . . 43 ARG HD2 . 10050 1 477 . 1 1 43 43 ARG HD3 H 1 3.169 0.030 . 2 . . . . 43 ARG HD3 . 10050 1 478 . 1 1 43 43 ARG C C 13 178.615 0.300 . 1 . . . . 43 ARG C . 10050 1 479 . 1 1 43 43 ARG CA C 13 60.268 0.300 . 1 . . . . 43 ARG CA . 10050 1 480 . 1 1 43 43 ARG CB C 13 30.049 0.300 . 1 . . . . 43 ARG CB . 10050 1 481 . 1 1 43 43 ARG CG C 13 27.431 0.300 . 1 . . . . 43 ARG CG . 10050 1 482 . 1 1 43 43 ARG CD C 13 42.944 0.300 . 1 . . . . 43 ARG CD . 10050 1 483 . 1 1 43 43 ARG N N 15 123.227 0.300 . 1 . . . . 43 ARG N . 10050 1 484 . 1 1 44 44 GLU H H 1 7.728 0.030 . 1 . . . . 44 GLU H . 10050 1 485 . 1 1 44 44 GLU HA H 1 4.128 0.030 . 1 . . . . 44 GLU HA . 10050 1 486 . 1 1 44 44 GLU HB2 H 1 2.376 0.030 . 2 . . . . 44 GLU HB2 . 10050 1 487 . 1 1 44 44 GLU HB3 H 1 2.070 0.030 . 2 . . . . 44 GLU HB3 . 10050 1 488 . 1 1 44 44 GLU HG2 H 1 2.281 0.030 . 1 . . . . 44 GLU HG2 . 10050 1 489 . 1 1 44 44 GLU HG3 H 1 2.281 0.030 . 1 . . . . 44 GLU HG3 . 10050 1 490 . 1 1 44 44 GLU C C 13 179.211 0.300 . 1 . . . . 44 GLU C . 10050 1 491 . 1 1 44 44 GLU CA C 13 59.305 0.300 . 1 . . . . 44 GLU CA . 10050 1 492 . 1 1 44 44 GLU CB C 13 29.799 0.300 . 1 . . . . 44 GLU CB . 10050 1 493 . 1 1 44 44 GLU CG C 13 37.917 0.300 . 1 . . . . 44 GLU CG . 10050 1 494 . 1 1 44 44 GLU N N 15 121.111 0.300 . 1 . . . . 44 GLU N . 10050 1 495 . 1 1 45 45 LEU H H 1 8.328 0.030 . 1 . . . . 45 LEU H . 10050 1 496 . 1 1 45 45 LEU HA H 1 4.051 0.030 . 1 . . . . 45 LEU HA . 10050 1 497 . 1 1 45 45 LEU HB2 H 1 2.041 0.030 . 2 . . . . 45 LEU HB2 . 10050 1 498 . 1 1 45 45 LEU HB3 H 1 1.518 0.030 . 2 . . . . 45 LEU HB3 . 10050 1 499 . 1 1 45 45 LEU HG H 1 1.533 0.030 . 1 . . . . 45 LEU HG . 10050 1 500 . 1 1 45 45 LEU HD11 H 1 0.888 0.030 . 1 . . . . 45 LEU HD1 . 10050 1 501 . 1 1 45 45 LEU HD12 H 1 0.888 0.030 . 1 . . . . 45 LEU HD1 . 10050 1 502 . 1 1 45 45 LEU HD13 H 1 0.888 0.030 . 1 . . . . 45 LEU HD1 . 10050 1 503 . 1 1 45 45 LEU HD21 H 1 0.827 0.030 . 1 . . . . 45 LEU HD2 . 10050 1 504 . 1 1 45 45 LEU HD22 H 1 0.827 0.030 . 1 . . . . 45 LEU HD2 . 10050 1 505 . 1 1 45 45 LEU HD23 H 1 0.827 0.030 . 1 . . . . 45 LEU HD2 . 10050 1 506 . 1 1 45 45 LEU C C 13 177.752 0.300 . 1 . . . . 45 LEU C . 10050 1 507 . 1 1 45 45 LEU CA C 13 58.052 0.300 . 1 . . . . 45 LEU CA . 10050 1 508 . 1 1 45 45 LEU CB C 13 40.653 0.300 . 1 . . . . 45 LEU CB . 10050 1 509 . 1 1 45 45 LEU CG C 13 27.285 0.300 . 1 . . . . 45 LEU CG . 10050 1 510 . 1 1 45 45 LEU CD1 C 13 22.886 0.300 . 2 . . . . 45 LEU CD1 . 10050 1 511 . 1 1 45 45 LEU CD2 C 13 25.637 0.300 . 2 . . . . 45 LEU CD2 . 10050 1 512 . 1 1 45 45 LEU N N 15 121.677 0.300 . 1 . . . . 45 LEU N . 10050 1 513 . 1 1 46 46 ARG H H 1 8.753 0.030 . 1 . . . . 46 ARG H . 10050 1 514 . 1 1 46 46 ARG HA H 1 3.674 0.030 . 1 . . . . 46 ARG HA . 10050 1 515 . 1 1 46 46 ARG HB2 H 1 2.315 0.030 . 2 . . . . 46 ARG HB2 . 10050 1 516 . 1 1 46 46 ARG HB3 H 1 1.520 0.030 . 2 . . . . 46 ARG HB3 . 10050 1 517 . 1 1 46 46 ARG HG2 H 1 1.604 0.030 . 1 . . . . 46 ARG HG2 . 10050 1 518 . 1 1 46 46 ARG HG3 H 1 1.604 0.030 . 1 . . . . 46 ARG HG3 . 10050 1 519 . 1 1 46 46 ARG HD2 H 1 3.779 0.030 . 2 . . . . 46 ARG HD2 . 10050 1 520 . 1 1 46 46 ARG HD3 H 1 2.980 0.030 . 2 . . . . 46 ARG HD3 . 10050 1 521 . 1 1 46 46 ARG HE H 1 8.098 0.030 . 1 . . . . 46 ARG HE . 10050 1 522 . 1 1 46 46 ARG C C 13 177.378 0.300 . 1 . . . . 46 ARG C . 10050 1 523 . 1 1 46 46 ARG CA C 13 60.795 0.300 . 1 . . . . 46 ARG CA . 10050 1 524 . 1 1 46 46 ARG CB C 13 30.482 0.300 . 1 . . . . 46 ARG CB . 10050 1 525 . 1 1 46 46 ARG CG C 13 27.203 0.300 . 1 . . . . 46 ARG CG . 10050 1 526 . 1 1 46 46 ARG CD C 13 43.733 0.300 . 1 . . . . 46 ARG CD . 10050 1 527 . 1 1 46 46 ARG N N 15 119.777 0.300 . 1 . . . . 46 ARG N . 10050 1 528 . 1 1 46 46 ARG NE N 15 84.244 0.300 . 1 . . . . 46 ARG NE . 10050 1 529 . 1 1 47 47 SER H H 1 8.050 0.030 . 1 . . . . 47 SER H . 10050 1 530 . 1 1 47 47 SER HA H 1 4.101 0.030 . 1 . . . . 47 SER HA . 10050 1 531 . 1 1 47 47 SER HB2 H 1 4.014 0.030 . 1 . . . . 47 SER HB2 . 10050 1 532 . 1 1 47 47 SER HB3 H 1 4.014 0.030 . 1 . . . . 47 SER HB3 . 10050 1 533 . 1 1 47 47 SER C C 13 176.297 0.300 . 1 . . . . 47 SER C . 10050 1 534 . 1 1 47 47 SER CA C 13 62.061 0.300 . 1 . . . . 47 SER CA . 10050 1 535 . 1 1 47 47 SER CB C 13 62.911 0.300 . 1 . . . . 47 SER CB . 10050 1 536 . 1 1 47 47 SER N N 15 114.103 0.300 . 1 . . . . 47 SER N . 10050 1 537 . 1 1 48 48 LYS H H 1 8.157 0.030 . 1 . . . . 48 LYS H . 10050 1 538 . 1 1 48 48 LYS HA H 1 4.266 0.030 . 1 . . . . 48 LYS HA . 10050 1 539 . 1 1 48 48 LYS HB2 H 1 2.035 0.030 . 2 . . . . 48 LYS HB2 . 10050 1 540 . 1 1 48 48 LYS HB3 H 1 1.960 0.030 . 2 . . . . 48 LYS HB3 . 10050 1 541 . 1 1 48 48 LYS HG2 H 1 1.530 0.030 . 1 . . . . 48 LYS HG2 . 10050 1 542 . 1 1 48 48 LYS HG3 H 1 1.530 0.030 . 1 . . . . 48 LYS HG3 . 10050 1 543 . 1 1 48 48 LYS HD2 H 1 1.683 0.030 . 1 . . . . 48 LYS HD2 . 10050 1 544 . 1 1 48 48 LYS HD3 H 1 1.683 0.030 . 1 . . . . 48 LYS HD3 . 10050 1 545 . 1 1 48 48 LYS HE2 H 1 3.033 0.030 . 2 . . . . 48 LYS HE2 . 10050 1 546 . 1 1 48 48 LYS HE3 H 1 2.981 0.030 . 2 . . . . 48 LYS HE3 . 10050 1 547 . 1 1 48 48 LYS C C 13 180.622 0.300 . 1 . . . . 48 LYS C . 10050 1 548 . 1 1 48 48 LYS CA C 13 58.719 0.300 . 1 . . . . 48 LYS CA . 10050 1 549 . 1 1 48 48 LYS CB C 13 32.078 0.300 . 1 . . . . 48 LYS CB . 10050 1 550 . 1 1 48 48 LYS CG C 13 24.553 0.300 . 1 . . . . 48 LYS CG . 10050 1 551 . 1 1 48 48 LYS CD C 13 28.587 0.300 . 1 . . . . 48 LYS CD . 10050 1 552 . 1 1 48 48 LYS CE C 13 41.791 0.300 . 1 . . . . 48 LYS CE . 10050 1 553 . 1 1 48 48 LYS N N 15 121.971 0.300 . 1 . . . . 48 LYS N . 10050 1 554 . 1 1 49 49 ILE H H 1 8.829 0.030 . 1 . . . . 49 ILE H . 10050 1 555 . 1 1 49 49 ILE HA H 1 3.624 0.030 . 1 . . . . 49 ILE HA . 10050 1 556 . 1 1 49 49 ILE HB H 1 1.933 0.030 . 1 . . . . 49 ILE HB . 10050 1 557 . 1 1 49 49 ILE HG12 H 1 1.887 0.030 . 2 . . . . 49 ILE HG12 . 10050 1 558 . 1 1 49 49 ILE HG13 H 1 0.955 0.030 . 2 . . . . 49 ILE HG13 . 10050 1 559 . 1 1 49 49 ILE HG21 H 1 0.879 0.030 . 1 . . . . 49 ILE HG2 . 10050 1 560 . 1 1 49 49 ILE HG22 H 1 0.879 0.030 . 1 . . . . 49 ILE HG2 . 10050 1 561 . 1 1 49 49 ILE HG23 H 1 0.879 0.030 . 1 . . . . 49 ILE HG2 . 10050 1 562 . 1 1 49 49 ILE HD11 H 1 0.682 0.030 . 1 . . . . 49 ILE HD1 . 10050 1 563 . 1 1 49 49 ILE HD12 H 1 0.682 0.030 . 1 . . . . 49 ILE HD1 . 10050 1 564 . 1 1 49 49 ILE HD13 H 1 0.682 0.030 . 1 . . . . 49 ILE HD1 . 10050 1 565 . 1 1 49 49 ILE C C 13 176.809 0.300 . 1 . . . . 49 ILE C . 10050 1 566 . 1 1 49 49 ILE CA C 13 66.315 0.300 . 1 . . . . 49 ILE CA . 10050 1 567 . 1 1 49 49 ILE CB C 13 37.976 0.300 . 1 . . . . 49 ILE CB . 10050 1 568 . 1 1 49 49 ILE CG1 C 13 31.551 0.300 . 1 . . . . 49 ILE CG1 . 10050 1 569 . 1 1 49 49 ILE CG2 C 13 17.181 0.300 . 1 . . . . 49 ILE CG2 . 10050 1 570 . 1 1 49 49 ILE CD1 C 13 13.356 0.300 . 1 . . . . 49 ILE CD1 . 10050 1 571 . 1 1 49 49 ILE N N 15 122.546 0.300 . 1 . . . . 49 ILE N . 10050 1 572 . 1 1 50 50 ALA H H 1 8.445 0.030 . 1 . . . . 50 ALA H . 10050 1 573 . 1 1 50 50 ALA HA H 1 3.895 0.030 . 1 . . . . 50 ALA HA . 10050 1 574 . 1 1 50 50 ALA HB1 H 1 1.509 0.030 . 1 . . . . 50 ALA HB . 10050 1 575 . 1 1 50 50 ALA HB2 H 1 1.509 0.030 . 1 . . . . 50 ALA HB . 10050 1 576 . 1 1 50 50 ALA HB3 H 1 1.509 0.030 . 1 . . . . 50 ALA HB . 10050 1 577 . 1 1 50 50 ALA C C 13 179.430 0.300 . 1 . . . . 50 ALA C . 10050 1 578 . 1 1 50 50 ALA CA C 13 56.211 0.300 . 1 . . . . 50 ALA CA . 10050 1 579 . 1 1 50 50 ALA CB C 13 17.496 0.300 . 1 . . . . 50 ALA CB . 10050 1 580 . 1 1 50 50 ALA N N 15 122.018 0.300 . 1 . . . . 50 ALA N . 10050 1 581 . 1 1 51 51 GLU H H 1 8.545 0.030 . 1 . . . . 51 GLU H . 10050 1 582 . 1 1 51 51 GLU HA H 1 4.118 0.030 . 1 . . . . 51 GLU HA . 10050 1 583 . 1 1 51 51 GLU HB2 H 1 2.181 0.030 . 2 . . . . 51 GLU HB2 . 10050 1 584 . 1 1 51 51 GLU HB3 H 1 2.084 0.030 . 2 . . . . 51 GLU HB3 . 10050 1 585 . 1 1 51 51 GLU HG2 H 1 2.378 0.030 . 2 . . . . 51 GLU HG2 . 10050 1 586 . 1 1 51 51 GLU HG3 H 1 2.290 0.030 . 2 . . . . 51 GLU HG3 . 10050 1 587 . 1 1 51 51 GLU C C 13 179.383 0.300 . 1 . . . . 51 GLU C . 10050 1 588 . 1 1 51 51 GLU CA C 13 58.804 0.300 . 1 . . . . 51 GLU CA . 10050 1 589 . 1 1 51 51 GLU CB C 13 30.071 0.300 . 1 . . . . 51 GLU CB . 10050 1 590 . 1 1 51 51 GLU CG C 13 36.047 0.300 . 1 . . . . 51 GLU CG . 10050 1 591 . 1 1 51 51 GLU N N 15 116.261 0.300 . 1 . . . . 51 GLU N . 10050 1 592 . 1 1 52 52 THR H H 1 8.100 0.030 . 1 . . . . 52 THR H . 10050 1 593 . 1 1 52 52 THR HA H 1 3.712 0.030 . 1 . . . . 52 THR HA . 10050 1 594 . 1 1 52 52 THR HB H 1 3.550 0.030 . 1 . . . . 52 THR HB . 10050 1 595 . 1 1 52 52 THR HG21 H 1 0.288 0.030 . 1 . . . . 52 THR HG2 . 10050 1 596 . 1 1 52 52 THR HG22 H 1 0.288 0.030 . 1 . . . . 52 THR HG2 . 10050 1 597 . 1 1 52 52 THR HG23 H 1 0.288 0.030 . 1 . . . . 52 THR HG2 . 10050 1 598 . 1 1 52 52 THR C C 13 175.462 0.300 . 1 . . . . 52 THR C . 10050 1 599 . 1 1 52 52 THR CA C 13 66.763 0.300 . 1 . . . . 52 THR CA . 10050 1 600 . 1 1 52 52 THR CB C 13 69.224 0.300 . 1 . . . . 52 THR CB . 10050 1 601 . 1 1 52 52 THR CG2 C 13 20.279 0.300 . 1 . . . . 52 THR CG2 . 10050 1 602 . 1 1 52 52 THR N N 15 115.326 0.300 . 1 . . . . 52 THR N . 10050 1 603 . 1 1 53 53 PHE H H 1 7.655 0.030 . 1 . . . . 53 PHE H . 10050 1 604 . 1 1 53 53 PHE HA H 1 4.798 0.030 . 1 . . . . 53 PHE HA . 10050 1 605 . 1 1 53 53 PHE HB2 H 1 3.440 0.030 . 2 . . . . 53 PHE HB2 . 10050 1 606 . 1 1 53 53 PHE HB3 H 1 2.549 0.030 . 2 . . . . 53 PHE HB3 . 10050 1 607 . 1 1 53 53 PHE HD1 H 1 7.499 0.030 . 1 . . . . 53 PHE HD1 . 10050 1 608 . 1 1 53 53 PHE HD2 H 1 7.499 0.030 . 1 . . . . 53 PHE HD2 . 10050 1 609 . 1 1 53 53 PHE HE1 H 1 7.193 0.030 . 1 . . . . 53 PHE HE1 . 10050 1 610 . 1 1 53 53 PHE HE2 H 1 7.193 0.030 . 1 . . . . 53 PHE HE2 . 10050 1 611 . 1 1 53 53 PHE HZ H 1 7.097 0.030 . 1 . . . . 53 PHE HZ . 10050 1 612 . 1 1 53 53 PHE C C 13 174.744 0.300 . 1 . . . . 53 PHE C . 10050 1 613 . 1 1 53 53 PHE CA C 13 58.004 0.300 . 1 . . . . 53 PHE CA . 10050 1 614 . 1 1 53 53 PHE CB C 13 39.195 0.300 . 1 . . . . 53 PHE CB . 10050 1 615 . 1 1 53 53 PHE CD1 C 13 132.531 0.300 . 1 . . . . 53 PHE CD1 . 10050 1 616 . 1 1 53 53 PHE CD2 C 13 132.531 0.300 . 1 . . . . 53 PHE CD2 . 10050 1 617 . 1 1 53 53 PHE CE1 C 13 130.763 0.300 . 1 . . . . 53 PHE CE1 . 10050 1 618 . 1 1 53 53 PHE CE2 C 13 130.763 0.300 . 1 . . . . 53 PHE CE2 . 10050 1 619 . 1 1 53 53 PHE CZ C 13 129.615 0.300 . 1 . . . . 53 PHE CZ . 10050 1 620 . 1 1 53 53 PHE N N 15 114.529 0.300 . 1 . . . . 53 PHE N . 10050 1 621 . 1 1 54 54 GLY H H 1 7.580 0.030 . 1 . . . . 54 GLY H . 10050 1 622 . 1 1 54 54 GLY HA2 H 1 4.048 0.030 . 2 . . . . 54 GLY HA2 . 10050 1 623 . 1 1 54 54 GLY HA3 H 1 3.998 0.030 . 2 . . . . 54 GLY HA3 . 10050 1 624 . 1 1 54 54 GLY C C 13 174.861 0.300 . 1 . . . . 54 GLY C . 10050 1 625 . 1 1 54 54 GLY CA C 13 47.496 0.300 . 1 . . . . 54 GLY CA . 10050 1 626 . 1 1 54 54 GLY N N 15 109.552 0.300 . 1 . . . . 54 GLY N . 10050 1 627 . 1 1 55 55 LEU H H 1 8.611 0.030 . 1 . . . . 55 LEU H . 10050 1 628 . 1 1 55 55 LEU HA H 1 4.728 0.030 . 1 . . . . 55 LEU HA . 10050 1 629 . 1 1 55 55 LEU HB2 H 1 1.674 0.030 . 2 . . . . 55 LEU HB2 . 10050 1 630 . 1 1 55 55 LEU HB3 H 1 1.335 0.030 . 2 . . . . 55 LEU HB3 . 10050 1 631 . 1 1 55 55 LEU HG H 1 1.564 0.030 . 1 . . . . 55 LEU HG . 10050 1 632 . 1 1 55 55 LEU HD11 H 1 0.780 0.030 . 1 . . . . 55 LEU HD1 . 10050 1 633 . 1 1 55 55 LEU HD12 H 1 0.780 0.030 . 1 . . . . 55 LEU HD1 . 10050 1 634 . 1 1 55 55 LEU HD13 H 1 0.780 0.030 . 1 . . . . 55 LEU HD1 . 10050 1 635 . 1 1 55 55 LEU HD21 H 1 0.852 0.030 . 1 . . . . 55 LEU HD2 . 10050 1 636 . 1 1 55 55 LEU HD22 H 1 0.852 0.030 . 1 . . . . 55 LEU HD2 . 10050 1 637 . 1 1 55 55 LEU HD23 H 1 0.852 0.030 . 1 . . . . 55 LEU HD2 . 10050 1 638 . 1 1 55 55 LEU C C 13 175.337 0.300 . 1 . . . . 55 LEU C . 10050 1 639 . 1 1 55 55 LEU CA C 13 52.606 0.300 . 1 . . . . 55 LEU CA . 10050 1 640 . 1 1 55 55 LEU CB C 13 44.966 0.300 . 1 . . . . 55 LEU CB . 10050 1 641 . 1 1 55 55 LEU CG C 13 26.873 0.300 . 1 . . . . 55 LEU CG . 10050 1 642 . 1 1 55 55 LEU CD1 C 13 26.821 0.300 . 2 . . . . 55 LEU CD1 . 10050 1 643 . 1 1 55 55 LEU CD2 C 13 23.246 0.300 . 2 . . . . 55 LEU CD2 . 10050 1 644 . 1 1 55 55 LEU N N 15 119.442 0.300 . 1 . . . . 55 LEU N . 10050 1 645 . 1 1 56 56 GLN H H 1 8.699 0.030 . 1 . . . . 56 GLN H . 10050 1 646 . 1 1 56 56 GLN HA H 1 4.497 0.030 . 1 . . . . 56 GLN HA . 10050 1 647 . 1 1 56 56 GLN HB2 H 1 2.203 0.030 . 2 . . . . 56 GLN HB2 . 10050 1 648 . 1 1 56 56 GLN HB3 H 1 2.100 0.030 . 2 . . . . 56 GLN HB3 . 10050 1 649 . 1 1 56 56 GLN HG2 H 1 2.374 0.030 . 1 . . . . 56 GLN HG2 . 10050 1 650 . 1 1 56 56 GLN HG3 H 1 2.374 0.030 . 1 . . . . 56 GLN HG3 . 10050 1 651 . 1 1 56 56 GLN C C 13 177.202 0.300 . 1 . . . . 56 GLN C . 10050 1 652 . 1 1 56 56 GLN CA C 13 55.000 0.300 . 1 . . . . 56 GLN CA . 10050 1 653 . 1 1 56 56 GLN CB C 13 29.488 0.300 . 1 . . . . 56 GLN CB . 10050 1 654 . 1 1 56 56 GLN CG C 13 34.043 0.300 . 1 . . . . 56 GLN CG . 10050 1 655 . 1 1 56 56 GLN N N 15 119.522 0.300 . 1 . . . . 56 GLN N . 10050 1 656 . 1 1 57 57 GLU H H 1 8.833 0.030 . 1 . . . . 57 GLU H . 10050 1 657 . 1 1 57 57 GLU HA H 1 3.592 0.030 . 1 . . . . 57 GLU HA . 10050 1 658 . 1 1 57 57 GLU HB2 H 1 1.977 0.030 . 2 . . . . 57 GLU HB2 . 10050 1 659 . 1 1 57 57 GLU HB3 H 1 1.914 0.030 . 2 . . . . 57 GLU HB3 . 10050 1 660 . 1 1 57 57 GLU HG2 H 1 2.189 0.030 . 2 . . . . 57 GLU HG2 . 10050 1 661 . 1 1 57 57 GLU HG3 H 1 2.035 0.030 . 2 . . . . 57 GLU HG3 . 10050 1 662 . 1 1 57 57 GLU C C 13 174.880 0.300 . 1 . . . . 57 GLU C . 10050 1 663 . 1 1 57 57 GLU CA C 13 60.221 0.300 . 1 . . . . 57 GLU CA . 10050 1 664 . 1 1 57 57 GLU CB C 13 30.057 0.300 . 1 . . . . 57 GLU CB . 10050 1 665 . 1 1 57 57 GLU CG C 13 35.659 0.300 . 1 . . . . 57 GLU CG . 10050 1 666 . 1 1 57 57 GLU N N 15 125.183 0.300 . 1 . . . . 57 GLU N . 10050 1 667 . 1 1 58 58 ASN H H 1 8.325 0.030 . 1 . . . . 58 ASN H . 10050 1 668 . 1 1 58 58 ASN HA H 1 4.493 0.030 . 1 . . . . 58 ASN HA . 10050 1 669 . 1 1 58 58 ASN HB2 H 1 2.506 0.030 . 2 . . . . 58 ASN HB2 . 10050 1 670 . 1 1 58 58 ASN HB3 H 1 2.393 0.030 . 2 . . . . 58 ASN HB3 . 10050 1 671 . 1 1 58 58 ASN C C 13 175.663 0.300 . 1 . . . . 58 ASN C . 10050 1 672 . 1 1 58 58 ASN CA C 13 54.220 0.300 . 1 . . . . 58 ASN CA . 10050 1 673 . 1 1 58 58 ASN CB C 13 37.802 0.300 . 1 . . . . 58 ASN CB . 10050 1 674 . 1 1 58 58 ASN N N 15 110.381 0.300 . 1 . . . . 58 ASN N . 10050 1 675 . 1 1 59 59 TYR H H 1 8.003 0.030 . 1 . . . . 59 TYR H . 10050 1 676 . 1 1 59 59 TYR HA H 1 4.751 0.030 . 1 . . . . 59 TYR HA . 10050 1 677 . 1 1 59 59 TYR HB2 H 1 3.732 0.030 . 2 . . . . 59 TYR HB2 . 10050 1 678 . 1 1 59 59 TYR HB3 H 1 2.675 0.030 . 2 . . . . 59 TYR HB3 . 10050 1 679 . 1 1 59 59 TYR HD1 H 1 6.967 0.030 . 1 . . . . 59 TYR HD1 . 10050 1 680 . 1 1 59 59 TYR HD2 H 1 6.967 0.030 . 1 . . . . 59 TYR HD2 . 10050 1 681 . 1 1 59 59 TYR HE1 H 1 6.815 0.030 . 1 . . . . 59 TYR HE1 . 10050 1 682 . 1 1 59 59 TYR HE2 H 1 6.815 0.030 . 1 . . . . 59 TYR HE2 . 10050 1 683 . 1 1 59 59 TYR C C 13 174.848 0.300 . 1 . . . . 59 TYR C . 10050 1 684 . 1 1 59 59 TYR CA C 13 57.098 0.300 . 1 . . . . 59 TYR CA . 10050 1 685 . 1 1 59 59 TYR CB C 13 38.762 0.300 . 1 . . . . 59 TYR CB . 10050 1 686 . 1 1 59 59 TYR CD1 C 13 132.716 0.300 . 1 . . . . 59 TYR CD1 . 10050 1 687 . 1 1 59 59 TYR CD2 C 13 132.716 0.300 . 1 . . . . 59 TYR CD2 . 10050 1 688 . 1 1 59 59 TYR CE1 C 13 118.235 0.300 . 1 . . . . 59 TYR CE1 . 10050 1 689 . 1 1 59 59 TYR CE2 C 13 118.235 0.300 . 1 . . . . 59 TYR CE2 . 10050 1 690 . 1 1 59 59 TYR N N 15 116.482 0.300 . 1 . . . . 59 TYR N . 10050 1 691 . 1 1 60 60 ILE H H 1 7.185 0.030 . 1 . . . . 60 ILE H . 10050 1 692 . 1 1 60 60 ILE HA H 1 5.549 0.030 . 1 . . . . 60 ILE HA . 10050 1 693 . 1 1 60 60 ILE HB H 1 1.795 0.030 . 1 . . . . 60 ILE HB . 10050 1 694 . 1 1 60 60 ILE HG12 H 1 1.425 0.030 . 2 . . . . 60 ILE HG12 . 10050 1 695 . 1 1 60 60 ILE HG13 H 1 1.213 0.030 . 2 . . . . 60 ILE HG13 . 10050 1 696 . 1 1 60 60 ILE HG21 H 1 0.905 0.030 . 1 . . . . 60 ILE HG2 . 10050 1 697 . 1 1 60 60 ILE HG22 H 1 0.905 0.030 . 1 . . . . 60 ILE HG2 . 10050 1 698 . 1 1 60 60 ILE HG23 H 1 0.905 0.030 . 1 . . . . 60 ILE HG2 . 10050 1 699 . 1 1 60 60 ILE HD11 H 1 0.719 0.030 . 1 . . . . 60 ILE HD1 . 10050 1 700 . 1 1 60 60 ILE HD12 H 1 0.719 0.030 . 1 . . . . 60 ILE HD1 . 10050 1 701 . 1 1 60 60 ILE HD13 H 1 0.719 0.030 . 1 . . . . 60 ILE HD1 . 10050 1 702 . 1 1 60 60 ILE C C 13 174.062 0.300 . 1 . . . . 60 ILE C . 10050 1 703 . 1 1 60 60 ILE CA C 13 59.295 0.300 . 1 . . . . 60 ILE CA . 10050 1 704 . 1 1 60 60 ILE CB C 13 42.529 0.300 . 1 . . . . 60 ILE CB . 10050 1 705 . 1 1 60 60 ILE CG1 C 13 24.153 0.300 . 1 . . . . 60 ILE CG1 . 10050 1 706 . 1 1 60 60 ILE CG2 C 13 18.268 0.300 . 1 . . . . 60 ILE CG2 . 10050 1 707 . 1 1 60 60 ILE CD1 C 13 14.263 0.300 . 1 . . . . 60 ILE CD1 . 10050 1 708 . 1 1 60 60 ILE N N 15 112.051 0.300 . 1 . . . . 60 ILE N . 10050 1 709 . 1 1 61 61 LYS H H 1 9.050 0.030 . 1 . . . . 61 LYS H . 10050 1 710 . 1 1 61 61 LYS HA H 1 4.693 0.030 . 1 . . . . 61 LYS HA . 10050 1 711 . 1 1 61 61 LYS HB2 H 1 1.697 0.030 . 1 . . . . 61 LYS HB2 . 10050 1 712 . 1 1 61 61 LYS HB3 H 1 1.697 0.030 . 1 . . . . 61 LYS HB3 . 10050 1 713 . 1 1 61 61 LYS HG2 H 1 1.324 0.030 . 2 . . . . 61 LYS HG2 . 10050 1 714 . 1 1 61 61 LYS HG3 H 1 1.239 0.030 . 2 . . . . 61 LYS HG3 . 10050 1 715 . 1 1 61 61 LYS HD2 H 1 1.599 0.030 . 1 . . . . 61 LYS HD2 . 10050 1 716 . 1 1 61 61 LYS HD3 H 1 1.599 0.030 . 1 . . . . 61 LYS HD3 . 10050 1 717 . 1 1 61 61 LYS HE2 H 1 2.813 0.030 . 1 . . . . 61 LYS HE2 . 10050 1 718 . 1 1 61 61 LYS HE3 H 1 2.813 0.030 . 1 . . . . 61 LYS HE3 . 10050 1 719 . 1 1 61 61 LYS C C 13 173.672 0.300 . 1 . . . . 61 LYS C . 10050 1 720 . 1 1 61 61 LYS CA C 13 54.502 0.300 . 1 . . . . 61 LYS CA . 10050 1 721 . 1 1 61 61 LYS CB C 13 36.246 0.300 . 1 . . . . 61 LYS CB . 10050 1 722 . 1 1 61 61 LYS CG C 13 24.812 0.300 . 1 . . . . 61 LYS CG . 10050 1 723 . 1 1 61 61 LYS CD C 13 29.680 0.300 . 1 . . . . 61 LYS CD . 10050 1 724 . 1 1 61 61 LYS CE C 13 42.120 0.300 . 1 . . . . 61 LYS CE . 10050 1 725 . 1 1 61 61 LYS N N 15 121.171 0.300 . 1 . . . . 61 LYS N . 10050 1 726 . 1 1 62 62 ILE H H 1 8.927 0.030 . 1 . . . . 62 ILE H . 10050 1 727 . 1 1 62 62 ILE HA H 1 5.050 0.030 . 1 . . . . 62 ILE HA . 10050 1 728 . 1 1 62 62 ILE HB H 1 1.859 0.030 . 1 . . . . 62 ILE HB . 10050 1 729 . 1 1 62 62 ILE HG12 H 1 1.278 0.030 . 2 . . . . 62 ILE HG12 . 10050 1 730 . 1 1 62 62 ILE HG13 H 1 1.194 0.030 . 2 . . . . 62 ILE HG13 . 10050 1 731 . 1 1 62 62 ILE HG21 H 1 0.702 0.030 . 1 . . . . 62 ILE HG2 . 10050 1 732 . 1 1 62 62 ILE HG22 H 1 0.702 0.030 . 1 . . . . 62 ILE HG2 . 10050 1 733 . 1 1 62 62 ILE HG23 H 1 0.702 0.030 . 1 . . . . 62 ILE HG2 . 10050 1 734 . 1 1 62 62 ILE HD11 H 1 0.767 0.030 . 1 . . . . 62 ILE HD1 . 10050 1 735 . 1 1 62 62 ILE HD12 H 1 0.767 0.030 . 1 . . . . 62 ILE HD1 . 10050 1 736 . 1 1 62 62 ILE HD13 H 1 0.767 0.030 . 1 . . . . 62 ILE HD1 . 10050 1 737 . 1 1 62 62 ILE C C 13 174.442 0.300 . 1 . . . . 62 ILE C . 10050 1 738 . 1 1 62 62 ILE CA C 13 58.947 0.300 . 1 . . . . 62 ILE CA . 10050 1 739 . 1 1 62 62 ILE CB C 13 38.183 0.300 . 1 . . . . 62 ILE CB . 10050 1 740 . 1 1 62 62 ILE CG1 C 13 28.439 0.300 . 1 . . . . 62 ILE CG1 . 10050 1 741 . 1 1 62 62 ILE CG2 C 13 18.390 0.300 . 1 . . . . 62 ILE CG2 . 10050 1 742 . 1 1 62 62 ILE CD1 C 13 13.686 0.300 . 1 . . . . 62 ILE CD1 . 10050 1 743 . 1 1 62 62 ILE N N 15 123.466 0.300 . 1 . . . . 62 ILE N . 10050 1 744 . 1 1 63 63 VAL H H 1 9.066 0.030 . 1 . . . . 63 VAL H . 10050 1 745 . 1 1 63 63 VAL HA H 1 4.519 0.030 . 1 . . . . 63 VAL HA . 10050 1 746 . 1 1 63 63 VAL HB H 1 1.827 0.030 . 1 . . . . 63 VAL HB . 10050 1 747 . 1 1 63 63 VAL HG11 H 1 0.673 0.030 . 1 . . . . 63 VAL HG1 . 10050 1 748 . 1 1 63 63 VAL HG12 H 1 0.673 0.030 . 1 . . . . 63 VAL HG1 . 10050 1 749 . 1 1 63 63 VAL HG13 H 1 0.673 0.030 . 1 . . . . 63 VAL HG1 . 10050 1 750 . 1 1 63 63 VAL HG21 H 1 0.783 0.030 . 1 . . . . 63 VAL HG2 . 10050 1 751 . 1 1 63 63 VAL HG22 H 1 0.783 0.030 . 1 . . . . 63 VAL HG2 . 10050 1 752 . 1 1 63 63 VAL HG23 H 1 0.783 0.030 . 1 . . . . 63 VAL HG2 . 10050 1 753 . 1 1 63 63 VAL C C 13 175.413 0.300 . 1 . . . . 63 VAL C . 10050 1 754 . 1 1 63 63 VAL CA C 13 61.346 0.300 . 1 . . . . 63 VAL CA . 10050 1 755 . 1 1 63 63 VAL CB C 13 34.102 0.300 . 1 . . . . 63 VAL CB . 10050 1 756 . 1 1 63 63 VAL CG1 C 13 20.701 0.300 . 2 . . . . 63 VAL CG1 . 10050 1 757 . 1 1 63 63 VAL CG2 C 13 21.124 0.300 . 2 . . . . 63 VAL CG2 . 10050 1 758 . 1 1 63 63 VAL N N 15 128.722 0.300 . 1 . . . . 63 VAL N . 10050 1 759 . 1 1 64 64 ILE H H 1 8.920 0.030 . 1 . . . . 64 ILE H . 10050 1 760 . 1 1 64 64 ILE HA H 1 4.673 0.030 . 1 . . . . 64 ILE HA . 10050 1 761 . 1 1 64 64 ILE HB H 1 1.675 0.030 . 1 . . . . 64 ILE HB . 10050 1 762 . 1 1 64 64 ILE HG12 H 1 1.519 0.030 . 2 . . . . 64 ILE HG12 . 10050 1 763 . 1 1 64 64 ILE HG13 H 1 0.991 0.030 . 2 . . . . 64 ILE HG13 . 10050 1 764 . 1 1 64 64 ILE HG21 H 1 0.900 0.030 . 1 . . . . 64 ILE HG2 . 10050 1 765 . 1 1 64 64 ILE HG22 H 1 0.900 0.030 . 1 . . . . 64 ILE HG2 . 10050 1 766 . 1 1 64 64 ILE HG23 H 1 0.900 0.030 . 1 . . . . 64 ILE HG2 . 10050 1 767 . 1 1 64 64 ILE HD11 H 1 0.713 0.030 . 1 . . . . 64 ILE HD1 . 10050 1 768 . 1 1 64 64 ILE HD12 H 1 0.713 0.030 . 1 . . . . 64 ILE HD1 . 10050 1 769 . 1 1 64 64 ILE HD13 H 1 0.713 0.030 . 1 . . . . 64 ILE HD1 . 10050 1 770 . 1 1 64 64 ILE C C 13 175.742 0.300 . 1 . . . . 64 ILE C . 10050 1 771 . 1 1 64 64 ILE CA C 13 59.776 0.300 . 1 . . . . 64 ILE CA . 10050 1 772 . 1 1 64 64 ILE CB C 13 40.985 0.300 . 1 . . . . 64 ILE CB . 10050 1 773 . 1 1 64 64 ILE CG1 C 13 27.852 0.300 . 1 . . . . 64 ILE CG1 . 10050 1 774 . 1 1 64 64 ILE CG2 C 13 17.372 0.300 . 1 . . . . 64 ILE CG2 . 10050 1 775 . 1 1 64 64 ILE CD1 C 13 14.252 0.300 . 1 . . . . 64 ILE CD1 . 10050 1 776 . 1 1 64 64 ILE N N 15 126.696 0.300 . 1 . . . . 64 ILE N . 10050 1 777 . 1 1 65 65 ASN H H 1 9.759 0.030 . 1 . . . . 65 ASN H . 10050 1 778 . 1 1 65 65 ASN HA H 1 4.411 0.030 . 1 . . . . 65 ASN HA . 10050 1 779 . 1 1 65 65 ASN HB2 H 1 3.142 0.030 . 2 . . . . 65 ASN HB2 . 10050 1 780 . 1 1 65 65 ASN HB3 H 1 2.789 0.030 . 2 . . . . 65 ASN HB3 . 10050 1 781 . 1 1 65 65 ASN HD21 H 1 7.915 0.030 . 2 . . . . 65 ASN HD21 . 10050 1 782 . 1 1 65 65 ASN HD22 H 1 6.928 0.030 . 2 . . . . 65 ASN HD22 . 10050 1 783 . 1 1 65 65 ASN C C 13 174.305 0.300 . 1 . . . . 65 ASN C . 10050 1 784 . 1 1 65 65 ASN CA C 13 54.648 0.300 . 1 . . . . 65 ASN CA . 10050 1 785 . 1 1 65 65 ASN CB C 13 36.891 0.300 . 1 . . . . 65 ASN CB . 10050 1 786 . 1 1 65 65 ASN N N 15 128.392 0.300 . 1 . . . . 65 ASN N . 10050 1 787 . 1 1 65 65 ASN ND2 N 15 112.912 0.300 . 1 . . . . 65 ASN ND2 . 10050 1 788 . 1 1 66 66 LYS H H 1 8.621 0.030 . 1 . . . . 66 LYS H . 10050 1 789 . 1 1 66 66 LYS HA H 1 3.545 0.030 . 1 . . . . 66 LYS HA . 10050 1 790 . 1 1 66 66 LYS HB2 H 1 2.176 0.030 . 2 . . . . 66 LYS HB2 . 10050 1 791 . 1 1 66 66 LYS HB3 H 1 2.001 0.030 . 2 . . . . 66 LYS HB3 . 10050 1 792 . 1 1 66 66 LYS HG2 H 1 1.337 0.030 . 1 . . . . 66 LYS HG2 . 10050 1 793 . 1 1 66 66 LYS HG3 H 1 1.337 0.030 . 1 . . . . 66 LYS HG3 . 10050 1 794 . 1 1 66 66 LYS HD2 H 1 1.640 0.030 . 1 . . . . 66 LYS HD2 . 10050 1 795 . 1 1 66 66 LYS HD3 H 1 1.640 0.030 . 1 . . . . 66 LYS HD3 . 10050 1 796 . 1 1 66 66 LYS HE2 H 1 2.980 0.030 . 1 . . . . 66 LYS HE2 . 10050 1 797 . 1 1 66 66 LYS HE3 H 1 2.980 0.030 . 1 . . . . 66 LYS HE3 . 10050 1 798 . 1 1 66 66 LYS CA C 13 58.439 0.300 . 1 . . . . 66 LYS CA . 10050 1 799 . 1 1 66 66 LYS CB C 13 30.252 0.300 . 1 . . . . 66 LYS CB . 10050 1 800 . 1 1 66 66 LYS CG C 13 25.637 0.300 . 1 . . . . 66 LYS CG . 10050 1 801 . 1 1 66 66 LYS CD C 13 29.510 0.300 . 1 . . . . 66 LYS CD . 10050 1 802 . 1 1 66 66 LYS CE C 13 42.285 0.300 . 1 . . . . 66 LYS CE . 10050 1 803 . 1 1 66 66 LYS N N 15 107.017 0.300 . 1 . . . . 66 LYS N . 10050 1 804 . 1 1 67 67 LYS H H 1 7.919 0.030 . 1 . . . . 67 LYS H . 10050 1 805 . 1 1 67 67 LYS HA H 1 4.705 0.030 . 1 . . . . 67 LYS HA . 10050 1 806 . 1 1 67 67 LYS HB2 H 1 1.850 0.030 . 1 . . . . 67 LYS HB2 . 10050 1 807 . 1 1 67 67 LYS HB3 H 1 1.850 0.030 . 1 . . . . 67 LYS HB3 . 10050 1 808 . 1 1 67 67 LYS HG2 H 1 1.531 0.030 . 2 . . . . 67 LYS HG2 . 10050 1 809 . 1 1 67 67 LYS HG3 H 1 1.478 0.030 . 2 . . . . 67 LYS HG3 . 10050 1 810 . 1 1 67 67 LYS HD2 H 1 1.784 0.030 . 1 . . . . 67 LYS HD2 . 10050 1 811 . 1 1 67 67 LYS HD3 H 1 1.784 0.030 . 1 . . . . 67 LYS HD3 . 10050 1 812 . 1 1 67 67 LYS HE2 H 1 3.097 0.030 . 1 . . . . 67 LYS HE2 . 10050 1 813 . 1 1 67 67 LYS HE3 H 1 3.097 0.030 . 1 . . . . 67 LYS HE3 . 10050 1 814 . 1 1 67 67 LYS C C 13 175.399 0.300 . 1 . . . . 67 LYS C . 10050 1 815 . 1 1 67 67 LYS CA C 13 54.730 0.300 . 1 . . . . 67 LYS CA . 10050 1 816 . 1 1 67 67 LYS CB C 13 35.085 0.300 . 1 . . . . 67 LYS CB . 10050 1 817 . 1 1 67 67 LYS CG C 13 24.565 0.300 . 1 . . . . 67 LYS CG . 10050 1 818 . 1 1 67 67 LYS CD C 13 29.149 0.300 . 1 . . . . 67 LYS CD . 10050 1 819 . 1 1 67 67 LYS CE C 13 42.285 0.300 . 1 . . . . 67 LYS CE . 10050 1 820 . 1 1 67 67 LYS N N 15 120.975 0.300 . 1 . . . . 67 LYS N . 10050 1 821 . 1 1 68 68 GLN H H 1 8.847 0.030 . 1 . . . . 68 GLN H . 10050 1 822 . 1 1 68 68 GLN HA H 1 4.371 0.030 . 1 . . . . 68 GLN HA . 10050 1 823 . 1 1 68 68 GLN HB2 H 1 2.054 0.030 . 2 . . . . 68 GLN HB2 . 10050 1 824 . 1 1 68 68 GLN HB3 H 1 2.011 0.030 . 2 . . . . 68 GLN HB3 . 10050 1 825 . 1 1 68 68 GLN HG2 H 1 2.467 0.030 . 2 . . . . 68 GLN HG2 . 10050 1 826 . 1 1 68 68 GLN HG3 H 1 2.355 0.030 . 2 . . . . 68 GLN HG3 . 10050 1 827 . 1 1 68 68 GLN C C 13 176.831 0.300 . 1 . . . . 68 GLN C . 10050 1 828 . 1 1 68 68 GLN CA C 13 56.521 0.300 . 1 . . . . 68 GLN CA . 10050 1 829 . 1 1 68 68 GLN CB C 13 28.622 0.300 . 1 . . . . 68 GLN CB . 10050 1 830 . 1 1 68 68 GLN CG C 13 34.208 0.300 . 1 . . . . 68 GLN CG . 10050 1 831 . 1 1 68 68 GLN N N 15 123.059 0.300 . 1 . . . . 68 GLN N . 10050 1 832 . 1 1 69 69 LEU H H 1 8.624 0.030 . 1 . . . . 69 LEU H . 10050 1 833 . 1 1 69 69 LEU HA H 1 4.076 0.030 . 1 . . . . 69 LEU HA . 10050 1 834 . 1 1 69 69 LEU HB2 H 1 1.885 0.030 . 2 . . . . 69 LEU HB2 . 10050 1 835 . 1 1 69 69 LEU HB3 H 1 1.213 0.030 . 2 . . . . 69 LEU HB3 . 10050 1 836 . 1 1 69 69 LEU HG H 1 1.369 0.030 . 1 . . . . 69 LEU HG . 10050 1 837 . 1 1 69 69 LEU HD11 H 1 0.825 0.030 . 1 . . . . 69 LEU HD1 . 10050 1 838 . 1 1 69 69 LEU HD12 H 1 0.825 0.030 . 1 . . . . 69 LEU HD1 . 10050 1 839 . 1 1 69 69 LEU HD13 H 1 0.825 0.030 . 1 . . . . 69 LEU HD1 . 10050 1 840 . 1 1 69 69 LEU HD21 H 1 0.869 0.030 . 1 . . . . 69 LEU HD2 . 10050 1 841 . 1 1 69 69 LEU HD22 H 1 0.869 0.030 . 1 . . . . 69 LEU HD2 . 10050 1 842 . 1 1 69 69 LEU HD23 H 1 0.869 0.030 . 1 . . . . 69 LEU HD2 . 10050 1 843 . 1 1 69 69 LEU C C 13 176.108 0.300 . 1 . . . . 69 LEU C . 10050 1 844 . 1 1 69 69 LEU CA C 13 55.692 0.300 . 1 . . . . 69 LEU CA . 10050 1 845 . 1 1 69 69 LEU CB C 13 43.779 0.300 . 1 . . . . 69 LEU CB . 10050 1 846 . 1 1 69 69 LEU CG C 13 26.630 0.300 . 1 . . . . 69 LEU CG . 10050 1 847 . 1 1 69 69 LEU CD1 C 13 23.184 0.300 . 2 . . . . 69 LEU CD1 . 10050 1 848 . 1 1 69 69 LEU CD2 C 13 26.873 0.300 . 2 . . . . 69 LEU CD2 . 10050 1 849 . 1 1 69 69 LEU N N 15 127.557 0.300 . 1 . . . . 69 LEU N . 10050 1 850 . 1 1 70 70 GLN H H 1 9.564 0.030 . 1 . . . . 70 GLN H . 10050 1 851 . 1 1 70 70 GLN HA H 1 4.563 0.030 . 1 . . . . 70 GLN HA . 10050 1 852 . 1 1 70 70 GLN HB2 H 1 2.211 0.030 . 2 . . . . 70 GLN HB2 . 10050 1 853 . 1 1 70 70 GLN HB3 H 1 1.721 0.030 . 2 . . . . 70 GLN HB3 . 10050 1 854 . 1 1 70 70 GLN HG2 H 1 2.473 0.030 . 2 . . . . 70 GLN HG2 . 10050 1 855 . 1 1 70 70 GLN HG3 H 1 2.420 0.030 . 2 . . . . 70 GLN HG3 . 10050 1 856 . 1 1 70 70 GLN C C 13 178.059 0.300 . 1 . . . . 70 GLN C . 10050 1 857 . 1 1 70 70 GLN CA C 13 54.872 0.300 . 1 . . . . 70 GLN CA . 10050 1 858 . 1 1 70 70 GLN CB C 13 28.540 0.300 . 1 . . . . 70 GLN CB . 10050 1 859 . 1 1 70 70 GLN CG C 13 33.961 0.300 . 1 . . . . 70 GLN CG . 10050 1 860 . 1 1 70 70 GLN N N 15 127.061 0.300 . 1 . . . . 70 GLN N . 10050 1 861 . 1 1 71 71 LEU H H 1 9.138 0.030 . 1 . . . . 71 LEU H . 10050 1 862 . 1 1 71 71 LEU HA H 1 3.946 0.030 . 1 . . . . 71 LEU HA . 10050 1 863 . 1 1 71 71 LEU HB2 H 1 1.945 0.030 . 2 . . . . 71 LEU HB2 . 10050 1 864 . 1 1 71 71 LEU HB3 H 1 1.246 0.030 . 2 . . . . 71 LEU HB3 . 10050 1 865 . 1 1 71 71 LEU HG H 1 1.867 0.030 . 1 . . . . 71 LEU HG . 10050 1 866 . 1 1 71 71 LEU HD11 H 1 0.948 0.030 . 1 . . . . 71 LEU HD1 . 10050 1 867 . 1 1 71 71 LEU HD12 H 1 0.948 0.030 . 1 . . . . 71 LEU HD1 . 10050 1 868 . 1 1 71 71 LEU HD13 H 1 0.948 0.030 . 1 . . . . 71 LEU HD1 . 10050 1 869 . 1 1 71 71 LEU HD21 H 1 0.623 0.030 . 1 . . . . 71 LEU HD2 . 10050 1 870 . 1 1 71 71 LEU HD22 H 1 0.623 0.030 . 1 . . . . 71 LEU HD2 . 10050 1 871 . 1 1 71 71 LEU HD23 H 1 0.623 0.030 . 1 . . . . 71 LEU HD2 . 10050 1 872 . 1 1 71 71 LEU C C 13 178.555 0.300 . 1 . . . . 71 LEU C . 10050 1 873 . 1 1 71 71 LEU CA C 13 57.123 0.300 . 1 . . . . 71 LEU CA . 10050 1 874 . 1 1 71 71 LEU CB C 13 41.155 0.300 . 1 . . . . 71 LEU CB . 10050 1 875 . 1 1 71 71 LEU CG C 13 26.560 0.300 . 1 . . . . 71 LEU CG . 10050 1 876 . 1 1 71 71 LEU CD1 C 13 25.355 0.300 . 2 . . . . 71 LEU CD1 . 10050 1 877 . 1 1 71 71 LEU CD2 C 13 21.133 0.300 . 2 . . . . 71 LEU CD2 . 10050 1 878 . 1 1 71 71 LEU N N 15 124.202 0.300 . 1 . . . . 71 LEU N . 10050 1 879 . 1 1 72 72 GLY HA2 H 1 4.371 0.030 . 2 . . . . 72 GLY HA2 . 10050 1 880 . 1 1 72 72 GLY HA3 H 1 3.738 0.030 . 2 . . . . 72 GLY HA3 . 10050 1 881 . 1 1 72 72 GLY C C 13 173.743 0.300 . 1 . . . . 72 GLY C . 10050 1 882 . 1 1 72 72 GLY CA C 13 45.087 0.300 . 1 . . . . 72 GLY CA . 10050 1 883 . 1 1 73 73 LYS H H 1 6.591 0.030 . 1 . . . . 73 LYS H . 10050 1 884 . 1 1 73 73 LYS HA H 1 4.810 0.030 . 1 . . . . 73 LYS HA . 10050 1 885 . 1 1 73 73 LYS HB2 H 1 1.925 0.030 . 2 . . . . 73 LYS HB2 . 10050 1 886 . 1 1 73 73 LYS HB3 H 1 1.478 0.030 . 2 . . . . 73 LYS HB3 . 10050 1 887 . 1 1 73 73 LYS HG2 H 1 1.475 0.030 . 2 . . . . 73 LYS HG2 . 10050 1 888 . 1 1 73 73 LYS HG3 H 1 1.392 0.030 . 2 . . . . 73 LYS HG3 . 10050 1 889 . 1 1 73 73 LYS HD2 H 1 1.604 0.030 . 1 . . . . 73 LYS HD2 . 10050 1 890 . 1 1 73 73 LYS HD3 H 1 1.604 0.030 . 1 . . . . 73 LYS HD3 . 10050 1 891 . 1 1 73 73 LYS HE2 H 1 2.980 0.030 . 1 . . . . 73 LYS HE2 . 10050 1 892 . 1 1 73 73 LYS HE3 H 1 2.980 0.030 . 1 . . . . 73 LYS HE3 . 10050 1 893 . 1 1 73 73 LYS C C 13 177.060 0.300 . 1 . . . . 73 LYS C . 10050 1 894 . 1 1 73 73 LYS CA C 13 53.678 0.300 . 1 . . . . 73 LYS CA . 10050 1 895 . 1 1 73 73 LYS CB C 13 36.287 0.300 . 1 . . . . 73 LYS CB . 10050 1 896 . 1 1 73 73 LYS CG C 13 25.305 0.300 . 1 . . . . 73 LYS CG . 10050 1 897 . 1 1 73 73 LYS CD C 13 29.181 0.300 . 1 . . . . 73 LYS CD . 10050 1 898 . 1 1 73 73 LYS CE C 13 42.367 0.300 . 1 . . . . 73 LYS CE . 10050 1 899 . 1 1 73 73 LYS N N 15 116.949 0.300 . 1 . . . . 73 LYS N . 10050 1 900 . 1 1 74 74 THR H H 1 9.790 0.030 . 1 . . . . 74 THR H . 10050 1 901 . 1 1 74 74 THR HA H 1 4.810 0.030 . 1 . . . . 74 THR HA . 10050 1 902 . 1 1 74 74 THR HB H 1 4.550 0.030 . 1 . . . . 74 THR HB . 10050 1 903 . 1 1 74 74 THR HG21 H 1 1.297 0.030 . 1 . . . . 74 THR HG2 . 10050 1 904 . 1 1 74 74 THR HG22 H 1 1.297 0.030 . 1 . . . . 74 THR HG2 . 10050 1 905 . 1 1 74 74 THR HG23 H 1 1.297 0.030 . 1 . . . . 74 THR HG2 . 10050 1 906 . 1 1 74 74 THR C C 13 177.492 0.300 . 1 . . . . 74 THR C . 10050 1 907 . 1 1 74 74 THR CA C 13 61.301 0.300 . 1 . . . . 74 THR CA . 10050 1 908 . 1 1 74 74 THR CB C 13 70.923 0.300 . 1 . . . . 74 THR CB . 10050 1 909 . 1 1 74 74 THR CG2 C 13 22.231 0.300 . 1 . . . . 74 THR CG2 . 10050 1 910 . 1 1 74 74 THR N N 15 114.335 0.300 . 1 . . . . 74 THR N . 10050 1 911 . 1 1 75 75 LEU H H 1 8.620 0.030 . 1 . . . . 75 LEU H . 10050 1 912 . 1 1 75 75 LEU HA H 1 3.936 0.030 . 1 . . . . 75 LEU HA . 10050 1 913 . 1 1 75 75 LEU HB2 H 1 2.245 0.030 . 2 . . . . 75 LEU HB2 . 10050 1 914 . 1 1 75 75 LEU HB3 H 1 1.130 0.030 . 2 . . . . 75 LEU HB3 . 10050 1 915 . 1 1 75 75 LEU HG H 1 1.977 0.030 . 1 . . . . 75 LEU HG . 10050 1 916 . 1 1 75 75 LEU HD11 H 1 0.868 0.030 . 1 . . . . 75 LEU HD1 . 10050 1 917 . 1 1 75 75 LEU HD12 H 1 0.868 0.030 . 1 . . . . 75 LEU HD1 . 10050 1 918 . 1 1 75 75 LEU HD13 H 1 0.868 0.030 . 1 . . . . 75 LEU HD1 . 10050 1 919 . 1 1 75 75 LEU HD21 H 1 0.659 0.030 . 1 . . . . 75 LEU HD2 . 10050 1 920 . 1 1 75 75 LEU HD22 H 1 0.659 0.030 . 1 . . . . 75 LEU HD2 . 10050 1 921 . 1 1 75 75 LEU HD23 H 1 0.659 0.030 . 1 . . . . 75 LEU HD2 . 10050 1 922 . 1 1 75 75 LEU C C 13 179.697 0.300 . 1 . . . . 75 LEU C . 10050 1 923 . 1 1 75 75 LEU CA C 13 58.252 0.300 . 1 . . . . 75 LEU CA . 10050 1 924 . 1 1 75 75 LEU CB C 13 39.006 0.300 . 1 . . . . 75 LEU CB . 10050 1 925 . 1 1 75 75 LEU CG C 13 26.184 0.300 . 1 . . . . 75 LEU CG . 10050 1 926 . 1 1 75 75 LEU CD1 C 13 26.790 0.300 . 2 . . . . 75 LEU CD1 . 10050 1 927 . 1 1 75 75 LEU CD2 C 13 22.093 0.300 . 2 . . . . 75 LEU CD2 . 10050 1 928 . 1 1 75 75 LEU N N 15 120.632 0.300 . 1 . . . . 75 LEU N . 10050 1 929 . 1 1 76 76 GLU H H 1 8.440 0.030 . 1 . . . . 76 GLU H . 10050 1 930 . 1 1 76 76 GLU HA H 1 4.140 0.030 . 1 . . . . 76 GLU HA . 10050 1 931 . 1 1 76 76 GLU HB2 H 1 2.035 0.030 . 2 . . . . 76 GLU HB2 . 10050 1 932 . 1 1 76 76 GLU HB3 H 1 1.955 0.030 . 2 . . . . 76 GLU HB3 . 10050 1 933 . 1 1 76 76 GLU HG2 H 1 2.234 0.030 . 1 . . . . 76 GLU HG2 . 10050 1 934 . 1 1 76 76 GLU HG3 H 1 2.234 0.030 . 1 . . . . 76 GLU HG3 . 10050 1 935 . 1 1 76 76 GLU C C 13 180.026 0.300 . 1 . . . . 76 GLU C . 10050 1 936 . 1 1 76 76 GLU CA C 13 59.237 0.300 . 1 . . . . 76 GLU CA . 10050 1 937 . 1 1 76 76 GLU CB C 13 29.479 0.300 . 1 . . . . 76 GLU CB . 10050 1 938 . 1 1 76 76 GLU CG C 13 35.444 0.300 . 1 . . . . 76 GLU CG . 10050 1 939 . 1 1 76 76 GLU N N 15 118.863 0.300 . 1 . . . . 76 GLU N . 10050 1 940 . 1 1 77 77 GLU H H 1 7.995 0.030 . 1 . . . . 77 GLU H . 10050 1 941 . 1 1 77 77 GLU HA H 1 4.223 0.030 . 1 . . . . 77 GLU HA . 10050 1 942 . 1 1 77 77 GLU HB2 H 1 2.382 0.030 . 2 . . . . 77 GLU HB2 . 10050 1 943 . 1 1 77 77 GLU HB3 H 1 1.945 0.030 . 2 . . . . 77 GLU HB3 . 10050 1 944 . 1 1 77 77 GLU HG2 H 1 2.531 0.030 . 2 . . . . 77 GLU HG2 . 10050 1 945 . 1 1 77 77 GLU HG3 H 1 2.266 0.030 . 2 . . . . 77 GLU HG3 . 10050 1 946 . 1 1 77 77 GLU C C 13 177.213 0.300 . 1 . . . . 77 GLU C . 10050 1 947 . 1 1 77 77 GLU CA C 13 58.350 0.300 . 1 . . . . 77 GLU CA . 10050 1 948 . 1 1 77 77 GLU CB C 13 29.817 0.300 . 1 . . . . 77 GLU CB . 10050 1 949 . 1 1 77 77 GLU CG C 13 36.928 0.300 . 1 . . . . 77 GLU CG . 10050 1 950 . 1 1 77 77 GLU N N 15 119.500 0.300 . 1 . . . . 77 GLU N . 10050 1 951 . 1 1 78 78 GLN H H 1 7.443 0.030 . 1 . . . . 78 GLN H . 10050 1 952 . 1 1 78 78 GLN HA H 1 4.810 0.030 . 1 . . . . 78 GLN HA . 10050 1 953 . 1 1 78 78 GLN HB2 H 1 2.414 0.030 . 2 . . . . 78 GLN HB2 . 10050 1 954 . 1 1 78 78 GLN HB3 H 1 1.887 0.030 . 2 . . . . 78 GLN HB3 . 10050 1 955 . 1 1 78 78 GLN HG2 H 1 2.758 0.030 . 2 . . . . 78 GLN HG2 . 10050 1 956 . 1 1 78 78 GLN HG3 H 1 2.347 0.030 . 2 . . . . 78 GLN HG3 . 10050 1 957 . 1 1 78 78 GLN HE21 H 1 7.428 0.030 . 2 . . . . 78 GLN HE21 . 10050 1 958 . 1 1 78 78 GLN HE22 H 1 6.383 0.030 . 2 . . . . 78 GLN HE22 . 10050 1 959 . 1 1 78 78 GLN C C 13 175.250 0.300 . 1 . . . . 78 GLN C . 10050 1 960 . 1 1 78 78 GLN CA C 13 54.336 0.300 . 1 . . . . 78 GLN CA . 10050 1 961 . 1 1 78 78 GLN CB C 13 30.938 0.300 . 1 . . . . 78 GLN CB . 10050 1 962 . 1 1 78 78 GLN CG C 13 34.208 0.300 . 1 . . . . 78 GLN CG . 10050 1 963 . 1 1 78 78 GLN N N 15 114.824 0.300 . 1 . . . . 78 GLN N . 10050 1 964 . 1 1 78 78 GLN NE2 N 15 113.041 0.300 . 1 . . . . 78 GLN NE2 . 10050 1 965 . 1 1 79 79 GLY H H 1 7.732 0.030 . 1 . . . . 79 GLY H . 10050 1 966 . 1 1 79 79 GLY HA2 H 1 4.091 0.030 . 2 . . . . 79 GLY HA2 . 10050 1 967 . 1 1 79 79 GLY HA3 H 1 3.812 0.030 . 2 . . . . 79 GLY HA3 . 10050 1 968 . 1 1 79 79 GLY C C 13 174.749 0.300 . 1 . . . . 79 GLY C . 10050 1 969 . 1 1 79 79 GLY CA C 13 46.219 0.300 . 1 . . . . 79 GLY CA . 10050 1 970 . 1 1 79 79 GLY N N 15 108.060 0.300 . 1 . . . . 79 GLY N . 10050 1 971 . 1 1 80 80 VAL H H 1 7.672 0.030 . 1 . . . . 80 VAL H . 10050 1 972 . 1 1 80 80 VAL HA H 1 3.569 0.030 . 1 . . . . 80 VAL HA . 10050 1 973 . 1 1 80 80 VAL HB H 1 1.706 0.030 . 1 . . . . 80 VAL HB . 10050 1 974 . 1 1 80 80 VAL HG11 H 1 0.766 0.030 . 1 . . . . 80 VAL HG1 . 10050 1 975 . 1 1 80 80 VAL HG12 H 1 0.766 0.030 . 1 . . . . 80 VAL HG1 . 10050 1 976 . 1 1 80 80 VAL HG13 H 1 0.766 0.030 . 1 . . . . 80 VAL HG1 . 10050 1 977 . 1 1 80 80 VAL HG21 H 1 0.838 0.030 . 1 . . . . 80 VAL HG2 . 10050 1 978 . 1 1 80 80 VAL HG22 H 1 0.838 0.030 . 1 . . . . 80 VAL HG2 . 10050 1 979 . 1 1 80 80 VAL HG23 H 1 0.838 0.030 . 1 . . . . 80 VAL HG2 . 10050 1 980 . 1 1 80 80 VAL C C 13 173.044 0.300 . 1 . . . . 80 VAL C . 10050 1 981 . 1 1 80 80 VAL CA C 13 64.145 0.300 . 1 . . . . 80 VAL CA . 10050 1 982 . 1 1 80 80 VAL CB C 13 30.710 0.300 . 1 . . . . 80 VAL CB . 10050 1 983 . 1 1 80 80 VAL CG1 C 13 21.833 0.300 . 2 . . . . 80 VAL CG1 . 10050 1 984 . 1 1 80 80 VAL CG2 C 13 22.437 0.300 . 2 . . . . 80 VAL CG2 . 10050 1 985 . 1 1 80 80 VAL N N 15 121.679 0.300 . 1 . . . . 80 VAL N . 10050 1 986 . 1 1 81 81 ALA H H 1 7.046 0.030 . 1 . . . . 81 ALA H . 10050 1 987 . 1 1 81 81 ALA HA H 1 4.478 0.030 . 1 . . . . 81 ALA HA . 10050 1 988 . 1 1 81 81 ALA HB1 H 1 1.342 0.030 . 1 . . . . 81 ALA HB . 10050 1 989 . 1 1 81 81 ALA HB2 H 1 1.342 0.030 . 1 . . . . 81 ALA HB . 10050 1 990 . 1 1 81 81 ALA HB3 H 1 1.342 0.030 . 1 . . . . 81 ALA HB . 10050 1 991 . 1 1 81 81 ALA C C 13 174.654 0.300 . 1 . . . . 81 ALA C . 10050 1 992 . 1 1 81 81 ALA CA C 13 50.746 0.300 . 1 . . . . 81 ALA CA . 10050 1 993 . 1 1 81 81 ALA CB C 13 21.823 0.300 . 1 . . . . 81 ALA CB . 10050 1 994 . 1 1 81 81 ALA N N 15 127.770 0.300 . 1 . . . . 81 ALA N . 10050 1 995 . 1 1 82 82 HIS H H 1 7.961 0.030 . 1 . . . . 82 HIS H . 10050 1 996 . 1 1 82 82 HIS HA H 1 4.342 0.030 . 1 . . . . 82 HIS HA . 10050 1 997 . 1 1 82 82 HIS HB2 H 1 2.998 0.030 . 2 . . . . 82 HIS HB2 . 10050 1 998 . 1 1 82 82 HIS HB3 H 1 2.826 0.030 . 2 . . . . 82 HIS HB3 . 10050 1 999 . 1 1 82 82 HIS HD2 H 1 6.963 0.030 . 1 . . . . 82 HIS HD2 . 10050 1 1000 . 1 1 82 82 HIS HE1 H 1 7.820 0.030 . 1 . . . . 82 HIS HE1 . 10050 1 1001 . 1 1 82 82 HIS C C 13 175.494 0.300 . 1 . . . . 82 HIS C . 10050 1 1002 . 1 1 82 82 HIS CA C 13 57.988 0.300 . 1 . . . . 82 HIS CA . 10050 1 1003 . 1 1 82 82 HIS CB C 13 31.177 0.300 . 1 . . . . 82 HIS CB . 10050 1 1004 . 1 1 82 82 HIS CD2 C 13 119.276 0.300 . 1 . . . . 82 HIS CD2 . 10050 1 1005 . 1 1 82 82 HIS CE1 C 13 139.052 0.300 . 1 . . . . 82 HIS CE1 . 10050 1 1006 . 1 1 82 82 HIS N N 15 114.934 0.300 . 1 . . . . 82 HIS N . 10050 1 1007 . 1 1 83 83 ASN H H 1 8.537 0.030 . 1 . . . . 83 ASN H . 10050 1 1008 . 1 1 83 83 ASN HA H 1 4.647 0.030 . 1 . . . . 83 ASN HA . 10050 1 1009 . 1 1 83 83 ASN HB2 H 1 2.889 0.030 . 2 . . . . 83 ASN HB2 . 10050 1 1010 . 1 1 83 83 ASN HB3 H 1 2.617 0.030 . 2 . . . . 83 ASN HB3 . 10050 1 1011 . 1 1 83 83 ASN HD21 H 1 7.468 0.030 . 2 . . . . 83 ASN HD21 . 10050 1 1012 . 1 1 83 83 ASN HD22 H 1 6.702 0.030 . 2 . . . . 83 ASN HD22 . 10050 1 1013 . 1 1 83 83 ASN C C 13 174.971 0.300 . 1 . . . . 83 ASN C . 10050 1 1014 . 1 1 83 83 ASN CA C 13 53.884 0.300 . 1 . . . . 83 ASN CA . 10050 1 1015 . 1 1 83 83 ASN CB C 13 37.729 0.300 . 1 . . . . 83 ASN CB . 10050 1 1016 . 1 1 83 83 ASN N N 15 119.677 0.300 . 1 . . . . 83 ASN N . 10050 1 1017 . 1 1 83 83 ASN ND2 N 15 111.418 0.300 . 1 . . . . 83 ASN ND2 . 10050 1 1018 . 1 1 84 84 VAL H H 1 7.769 0.030 . 1 . . . . 84 VAL H . 10050 1 1019 . 1 1 84 84 VAL HA H 1 4.494 0.030 . 1 . . . . 84 VAL HA . 10050 1 1020 . 1 1 84 84 VAL HB H 1 2.239 0.030 . 1 . . . . 84 VAL HB . 10050 1 1021 . 1 1 84 84 VAL HG11 H 1 1.008 0.030 . 1 . . . . 84 VAL HG1 . 10050 1 1022 . 1 1 84 84 VAL HG12 H 1 1.008 0.030 . 1 . . . . 84 VAL HG1 . 10050 1 1023 . 1 1 84 84 VAL HG13 H 1 1.008 0.030 . 1 . . . . 84 VAL HG1 . 10050 1 1024 . 1 1 84 84 VAL HG21 H 1 0.979 0.030 . 1 . . . . 84 VAL HG2 . 10050 1 1025 . 1 1 84 84 VAL HG22 H 1 0.979 0.030 . 1 . . . . 84 VAL HG2 . 10050 1 1026 . 1 1 84 84 VAL HG23 H 1 0.979 0.030 . 1 . . . . 84 VAL HG2 . 10050 1 1027 . 1 1 84 84 VAL C C 13 173.567 0.300 . 1 . . . . 84 VAL C . 10050 1 1028 . 1 1 84 84 VAL CA C 13 61.260 0.300 . 1 . . . . 84 VAL CA . 10050 1 1029 . 1 1 84 84 VAL CB C 13 34.178 0.300 . 1 . . . . 84 VAL CB . 10050 1 1030 . 1 1 84 84 VAL CG1 C 13 21.170 0.300 . 2 . . . . 84 VAL CG1 . 10050 1 1031 . 1 1 84 84 VAL CG2 C 13 22.079 0.300 . 2 . . . . 84 VAL CG2 . 10050 1 1032 . 1 1 84 84 VAL N N 15 116.347 0.300 . 1 . . . . 84 VAL N . 10050 1 1033 . 1 1 85 85 LYS H H 1 8.188 0.030 . 1 . . . . 85 LYS H . 10050 1 1034 . 1 1 85 85 LYS HA H 1 5.222 0.030 . 1 . . . . 85 LYS HA . 10050 1 1035 . 1 1 85 85 LYS HB2 H 1 1.823 0.030 . 2 . . . . 85 LYS HB2 . 10050 1 1036 . 1 1 85 85 LYS HB3 H 1 1.712 0.030 . 2 . . . . 85 LYS HB3 . 10050 1 1037 . 1 1 85 85 LYS HG2 H 1 1.592 0.030 . 2 . . . . 85 LYS HG2 . 10050 1 1038 . 1 1 85 85 LYS HG3 H 1 1.488 0.030 . 2 . . . . 85 LYS HG3 . 10050 1 1039 . 1 1 85 85 LYS HD2 H 1 1.601 0.030 . 1 . . . . 85 LYS HD2 . 10050 1 1040 . 1 1 85 85 LYS HD3 H 1 1.601 0.030 . 1 . . . . 85 LYS HD3 . 10050 1 1041 . 1 1 85 85 LYS HE2 H 1 2.968 0.030 . 1 . . . . 85 LYS HE2 . 10050 1 1042 . 1 1 85 85 LYS HE3 H 1 2.968 0.030 . 1 . . . . 85 LYS HE3 . 10050 1 1043 . 1 1 85 85 LYS C C 13 175.405 0.300 . 1 . . . . 85 LYS C . 10050 1 1044 . 1 1 85 85 LYS CA C 13 55.110 0.300 . 1 . . . . 85 LYS CA . 10050 1 1045 . 1 1 85 85 LYS CB C 13 34.091 0.300 . 1 . . . . 85 LYS CB . 10050 1 1046 . 1 1 85 85 LYS CG C 13 25.719 0.300 . 1 . . . . 85 LYS CG . 10050 1 1047 . 1 1 85 85 LYS CD C 13 29.452 0.300 . 1 . . . . 85 LYS CD . 10050 1 1048 . 1 1 85 85 LYS CE C 13 42.450 0.300 . 1 . . . . 85 LYS CE . 10050 1 1049 . 1 1 85 85 LYS N N 15 121.921 0.300 . 1 . . . . 85 LYS N . 10050 1 1050 . 1 1 86 86 ALA H H 1 9.469 0.030 . 1 . . . . 86 ALA H . 10050 1 1051 . 1 1 86 86 ALA HA H 1 5.106 0.030 . 1 . . . . 86 ALA HA . 10050 1 1052 . 1 1 86 86 ALA HB1 H 1 1.030 0.030 . 1 . . . . 86 ALA HB . 10050 1 1053 . 1 1 86 86 ALA HB2 H 1 1.030 0.030 . 1 . . . . 86 ALA HB . 10050 1 1054 . 1 1 86 86 ALA HB3 H 1 1.030 0.030 . 1 . . . . 86 ALA HB . 10050 1 1055 . 1 1 86 86 ALA C C 13 174.694 0.300 . 1 . . . . 86 ALA C . 10050 1 1056 . 1 1 86 86 ALA CA C 13 50.014 0.300 . 1 . . . . 86 ALA CA . 10050 1 1057 . 1 1 86 86 ALA CB C 13 21.204 0.300 . 1 . . . . 86 ALA CB . 10050 1 1058 . 1 1 86 86 ALA N N 15 126.084 0.300 . 1 . . . . 86 ALA N . 10050 1 1059 . 1 1 87 87 MET H H 1 9.203 0.030 . 1 . . . . 87 MET H . 10050 1 1060 . 1 1 87 87 MET HA H 1 4.990 0.030 . 1 . . . . 87 MET HA . 10050 1 1061 . 1 1 87 87 MET HB2 H 1 2.052 0.030 . 1 . . . . 87 MET HB2 . 10050 1 1062 . 1 1 87 87 MET HB3 H 1 2.052 0.030 . 1 . . . . 87 MET HB3 . 10050 1 1063 . 1 1 87 87 MET HG2 H 1 2.562 0.030 . 2 . . . . 87 MET HG2 . 10050 1 1064 . 1 1 87 87 MET HG3 H 1 2.519 0.030 . 2 . . . . 87 MET HG3 . 10050 1 1065 . 1 1 87 87 MET HE1 H 1 1.848 0.030 . 1 . . . . 87 MET HE . 10050 1 1066 . 1 1 87 87 MET HE2 H 1 1.848 0.030 . 1 . . . . 87 MET HE . 10050 1 1067 . 1 1 87 87 MET HE3 H 1 1.848 0.030 . 1 . . . . 87 MET HE . 10050 1 1068 . 1 1 87 87 MET C C 13 174.802 0.300 . 1 . . . . 87 MET C . 10050 1 1069 . 1 1 87 87 MET CA C 13 54.426 0.300 . 1 . . . . 87 MET CA . 10050 1 1070 . 1 1 87 87 MET CB C 13 32.945 0.300 . 1 . . . . 87 MET CB . 10050 1 1071 . 1 1 87 87 MET CG C 13 32.471 0.300 . 1 . . . . 87 MET CG . 10050 1 1072 . 1 1 87 87 MET CE C 13 16.824 0.300 . 1 . . . . 87 MET CE . 10050 1 1073 . 1 1 87 87 MET N N 15 122.813 0.300 . 1 . . . . 87 MET N . 10050 1 1074 . 1 1 88 88 VAL H H 1 8.316 0.030 . 1 . . . . 88 VAL H . 10050 1 1075 . 1 1 88 88 VAL HA H 1 4.505 0.030 . 1 . . . . 88 VAL HA . 10050 1 1076 . 1 1 88 88 VAL HB H 1 2.122 0.030 . 1 . . . . 88 VAL HB . 10050 1 1077 . 1 1 88 88 VAL HG11 H 1 0.752 0.030 . 1 . . . . 88 VAL HG1 . 10050 1 1078 . 1 1 88 88 VAL HG12 H 1 0.752 0.030 . 1 . . . . 88 VAL HG1 . 10050 1 1079 . 1 1 88 88 VAL HG13 H 1 0.752 0.030 . 1 . . . . 88 VAL HG1 . 10050 1 1080 . 1 1 88 88 VAL HG21 H 1 0.750 0.030 . 1 . . . . 88 VAL HG2 . 10050 1 1081 . 1 1 88 88 VAL HG22 H 1 0.750 0.030 . 1 . . . . 88 VAL HG2 . 10050 1 1082 . 1 1 88 88 VAL HG23 H 1 0.750 0.030 . 1 . . . . 88 VAL HG2 . 10050 1 1083 . 1 1 88 88 VAL C C 13 174.099 0.300 . 1 . . . . 88 VAL C . 10050 1 1084 . 1 1 88 88 VAL CA C 13 61.929 0.300 . 1 . . . . 88 VAL CA . 10050 1 1085 . 1 1 88 88 VAL CB C 13 32.537 0.300 . 1 . . . . 88 VAL CB . 10050 1 1086 . 1 1 88 88 VAL CG1 C 13 22.056 0.300 . 2 . . . . 88 VAL CG1 . 10050 1 1087 . 1 1 88 88 VAL CG2 C 13 21.735 0.300 . 2 . . . . 88 VAL CG2 . 10050 1 1088 . 1 1 88 88 VAL N N 15 124.019 0.300 . 1 . . . . 88 VAL N . 10050 1 1089 . 1 1 89 89 LEU H H 1 9.042 0.030 . 1 . . . . 89 LEU H . 10050 1 1090 . 1 1 89 89 LEU HA H 1 4.786 0.030 . 1 . . . . 89 LEU HA . 10050 1 1091 . 1 1 89 89 LEU HB2 H 1 1.582 0.030 . 2 . . . . 89 LEU HB2 . 10050 1 1092 . 1 1 89 89 LEU HB3 H 1 1.511 0.030 . 2 . . . . 89 LEU HB3 . 10050 1 1093 . 1 1 89 89 LEU HG H 1 1.576 0.030 . 1 . . . . 89 LEU HG . 10050 1 1094 . 1 1 89 89 LEU HD11 H 1 0.833 0.030 . 1 . . . . 89 LEU HD1 . 10050 1 1095 . 1 1 89 89 LEU HD12 H 1 0.833 0.030 . 1 . . . . 89 LEU HD1 . 10050 1 1096 . 1 1 89 89 LEU HD13 H 1 0.833 0.030 . 1 . . . . 89 LEU HD1 . 10050 1 1097 . 1 1 89 89 LEU HD21 H 1 0.875 0.030 . 1 . . . . 89 LEU HD2 . 10050 1 1098 . 1 1 89 89 LEU HD22 H 1 0.875 0.030 . 1 . . . . 89 LEU HD2 . 10050 1 1099 . 1 1 89 89 LEU HD23 H 1 0.875 0.030 . 1 . . . . 89 LEU HD2 . 10050 1 1100 . 1 1 89 89 LEU C C 13 176.391 0.300 . 1 . . . . 89 LEU C . 10050 1 1101 . 1 1 89 89 LEU CA C 13 53.141 0.300 . 1 . . . . 89 LEU CA . 10050 1 1102 . 1 1 89 89 LEU CB C 13 44.158 0.300 . 1 . . . . 89 LEU CB . 10050 1 1103 . 1 1 89 89 LEU CG C 13 27.840 0.300 . 1 . . . . 89 LEU CG . 10050 1 1104 . 1 1 89 89 LEU CD1 C 13 25.389 0.300 . 2 . . . . 89 LEU CD1 . 10050 1 1105 . 1 1 89 89 LEU CD2 C 13 24.159 0.300 . 2 . . . . 89 LEU CD2 . 10050 1 1106 . 1 1 89 89 LEU N N 15 128.126 0.300 . 1 . . . . 89 LEU N . 10050 1 1107 . 1 1 90 90 GLU H H 1 8.805 0.030 . 1 . . . . 90 GLU H . 10050 1 1108 . 1 1 90 90 GLU HA H 1 4.833 0.030 . 1 . . . . 90 GLU HA . 10050 1 1109 . 1 1 90 90 GLU HB2 H 1 2.129 0.030 . 2 . . . . 90 GLU HB2 . 10050 1 1110 . 1 1 90 90 GLU HB3 H 1 1.972 0.030 . 2 . . . . 90 GLU HB3 . 10050 1 1111 . 1 1 90 90 GLU HG2 H 1 2.304 0.030 . 2 . . . . 90 GLU HG2 . 10050 1 1112 . 1 1 90 90 GLU HG3 H 1 2.149 0.030 . 2 . . . . 90 GLU HG3 . 10050 1 1113 . 1 1 90 90 GLU C C 13 176.379 0.300 . 1 . . . . 90 GLU C . 10050 1 1114 . 1 1 90 90 GLU CA C 13 56.191 0.300 . 1 . . . . 90 GLU CA . 10050 1 1115 . 1 1 90 90 GLU CB C 13 31.754 0.300 . 1 . . . . 90 GLU CB . 10050 1 1116 . 1 1 90 90 GLU CG C 13 38.329 0.300 . 1 . . . . 90 GLU CG . 10050 1 1117 . 1 1 90 90 GLU N N 15 119.801 0.300 . 1 . . . . 90 GLU N . 10050 1 1118 . 1 1 91 91 LEU H H 1 8.411 0.030 . 1 . . . . 91 LEU H . 10050 1 1119 . 1 1 91 91 LEU HA H 1 4.460 0.030 . 1 . . . . 91 LEU HA . 10050 1 1120 . 1 1 91 91 LEU HB2 H 1 1.670 0.030 . 2 . . . . 91 LEU HB2 . 10050 1 1121 . 1 1 91 91 LEU HB3 H 1 1.494 0.030 . 2 . . . . 91 LEU HB3 . 10050 1 1122 . 1 1 91 91 LEU HG H 1 1.418 0.030 . 1 . . . . 91 LEU HG . 10050 1 1123 . 1 1 91 91 LEU HD11 H 1 0.832 0.030 . 1 . . . . 91 LEU HD1 . 10050 1 1124 . 1 1 91 91 LEU HD12 H 1 0.832 0.030 . 1 . . . . 91 LEU HD1 . 10050 1 1125 . 1 1 91 91 LEU HD13 H 1 0.832 0.030 . 1 . . . . 91 LEU HD1 . 10050 1 1126 . 1 1 91 91 LEU HD21 H 1 0.828 0.030 . 1 . . . . 91 LEU HD2 . 10050 1 1127 . 1 1 91 91 LEU HD22 H 1 0.828 0.030 . 1 . . . . 91 LEU HD2 . 10050 1 1128 . 1 1 91 91 LEU HD23 H 1 0.828 0.030 . 1 . . . . 91 LEU HD2 . 10050 1 1129 . 1 1 91 91 LEU C C 13 176.476 0.300 . 1 . . . . 91 LEU C . 10050 1 1130 . 1 1 91 91 LEU CA C 13 54.172 0.300 . 1 . . . . 91 LEU CA . 10050 1 1131 . 1 1 91 91 LEU CB C 13 43.024 0.300 . 1 . . . . 91 LEU CB . 10050 1 1132 . 1 1 91 91 LEU CG C 13 27.367 0.300 . 1 . . . . 91 LEU CG . 10050 1 1133 . 1 1 91 91 LEU CD1 C 13 25.205 0.300 . 2 . . . . 91 LEU CD1 . 10050 1 1134 . 1 1 91 91 LEU CD2 C 13 23.329 0.300 . 2 . . . . 91 LEU CD2 . 10050 1 1135 . 1 1 91 91 LEU N N 15 124.672 0.300 . 1 . . . . 91 LEU N . 10050 1 1136 . 1 1 92 92 LYS H H 1 8.290 0.030 . 1 . . . . 92 LYS H . 10050 1 1137 . 1 1 92 92 LYS HA H 1 4.288 0.030 . 1 . . . . 92 LYS HA . 10050 1 1138 . 1 1 92 92 LYS HB2 H 1 1.781 0.030 . 2 . . . . 92 LYS HB2 . 10050 1 1139 . 1 1 92 92 LYS HB3 H 1 1.703 0.030 . 2 . . . . 92 LYS HB3 . 10050 1 1140 . 1 1 92 92 LYS HG2 H 1 1.403 0.030 . 1 . . . . 92 LYS HG2 . 10050 1 1141 . 1 1 92 92 LYS HG3 H 1 1.403 0.030 . 1 . . . . 92 LYS HG3 . 10050 1 1142 . 1 1 92 92 LYS HD2 H 1 1.617 0.030 . 1 . . . . 92 LYS HD2 . 10050 1 1143 . 1 1 92 92 LYS HD3 H 1 1.617 0.030 . 1 . . . . 92 LYS HD3 . 10050 1 1144 . 1 1 92 92 LYS HE2 H 1 2.937 0.030 . 1 . . . . 92 LYS HE2 . 10050 1 1145 . 1 1 92 92 LYS HE3 H 1 2.937 0.030 . 1 . . . . 92 LYS HE3 . 10050 1 1146 . 1 1 92 92 LYS C C 13 176.296 0.300 . 1 . . . . 92 LYS C . 10050 1 1147 . 1 1 92 92 LYS CA C 13 56.273 0.300 . 1 . . . . 92 LYS CA . 10050 1 1148 . 1 1 92 92 LYS CB C 13 33.338 0.300 . 1 . . . . 92 LYS CB . 10050 1 1149 . 1 1 92 92 LYS CG C 13 24.784 0.300 . 1 . . . . 92 LYS CG . 10050 1 1150 . 1 1 92 92 LYS N N 15 120.772 0.300 . 1 . . . . 92 LYS N . 10050 1 stop_ save_