data_11139 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11139 _Entry.Title ; Solution structure of the 1st KH type I domain from human Vigilin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date 2011-04-01 _Entry.Original_release_date 2011-04-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 11139 2 T. Kigawa . . . 11139 3 S. Koshiba . . . 11139 4 M. Inoue . . . 11139 5 S. Yokoyama . . . 11139 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11139 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11139 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 390 11139 '15N chemical shifts' 89 11139 '1H chemical shifts' 633 11139 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 . . 2011-04-01 2010-03-31 original author . 11139 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CTE 'BMRB Entry Tracking System' 11139 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11139 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the 1st KH type I domain from human Vigilin' _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 T. Tomizawa . . . 11139 1 2 T. Kigawa . . . 11139 1 3 S. Koshiba . . . 11139 1 4 M. Inoue . . . 11139 1 5 S. Yokoyama . . . 11139 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11139 _Assembly.ID 1 _Assembly.Name Vigilin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'KH domain' 1 $entity_1 A . yes native no no . . . 11139 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 yes PDB 2cte . . . . . . 11139 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11139 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'KH domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGDIVARLQTQASAT VAIPKEHHRFVIGKNGEKLQ DLELKTATKIQIPRPDDPSN QIKITGTKEGIEKARHEVLL ISAEQDKRSGPSSG ; _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2CTE . "Solution Structure Of The 1st Kh Type I Domain From Human Vigilin" . . . . . 100.00 94 100.00 100.00 4.44e-59 . . . . 11139 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'KH domain' . 11139 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 . 11139 1 2 . SER . 11139 1 3 . SER . 11139 1 4 . GLY . 11139 1 5 . SER . 11139 1 6 . SER . 11139 1 7 . GLY . 11139 1 8 . ASP . 11139 1 9 . ILE . 11139 1 10 . VAL . 11139 1 11 . ALA . 11139 1 12 . ARG . 11139 1 13 . LEU . 11139 1 14 . GLN . 11139 1 15 . THR . 11139 1 16 . GLN . 11139 1 17 . ALA . 11139 1 18 . SER . 11139 1 19 . ALA . 11139 1 20 . THR . 11139 1 21 . VAL . 11139 1 22 . ALA . 11139 1 23 . ILE . 11139 1 24 . PRO . 11139 1 25 . LYS . 11139 1 26 . GLU . 11139 1 27 . HIS . 11139 1 28 . HIS . 11139 1 29 . ARG . 11139 1 30 . PHE . 11139 1 31 . VAL . 11139 1 32 . ILE . 11139 1 33 . GLY . 11139 1 34 . LYS . 11139 1 35 . ASN . 11139 1 36 . GLY . 11139 1 37 . GLU . 11139 1 38 . LYS . 11139 1 39 . LEU . 11139 1 40 . GLN . 11139 1 41 . ASP . 11139 1 42 . LEU . 11139 1 43 . GLU . 11139 1 44 . LEU . 11139 1 45 . LYS . 11139 1 46 . THR . 11139 1 47 . ALA . 11139 1 48 . THR . 11139 1 49 . LYS . 11139 1 50 . ILE . 11139 1 51 . GLN . 11139 1 52 . ILE . 11139 1 53 . PRO . 11139 1 54 . ARG . 11139 1 55 . PRO . 11139 1 56 . ASP . 11139 1 57 . ASP . 11139 1 58 . PRO . 11139 1 59 . SER . 11139 1 60 . ASN . 11139 1 61 . GLN . 11139 1 62 . ILE . 11139 1 63 . LYS . 11139 1 64 . ILE . 11139 1 65 . THR . 11139 1 66 . GLY . 11139 1 67 . THR . 11139 1 68 . LYS . 11139 1 69 . GLU . 11139 1 70 . GLY . 11139 1 71 . ILE . 11139 1 72 . GLU . 11139 1 73 . LYS . 11139 1 74 . ALA . 11139 1 75 . ARG . 11139 1 76 . HIS . 11139 1 77 . GLU . 11139 1 78 . VAL . 11139 1 79 . LEU . 11139 1 80 . LEU . 11139 1 81 . ILE . 11139 1 82 . SER . 11139 1 83 . ALA . 11139 1 84 . GLU . 11139 1 85 . GLN . 11139 1 86 . ASP . 11139 1 87 . LYS . 11139 1 88 . ARG . 11139 1 89 . SER . 11139 1 90 . GLY . 11139 1 91 . PRO . 11139 1 92 . SER . 11139 1 93 . SER . 11139 1 94 . GLY . 11139 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 11139 1 . SER 2 2 11139 1 . SER 3 3 11139 1 . GLY 4 4 11139 1 . SER 5 5 11139 1 . SER 6 6 11139 1 . GLY 7 7 11139 1 . ASP 8 8 11139 1 . ILE 9 9 11139 1 . VAL 10 10 11139 1 . ALA 11 11 11139 1 . ARG 12 12 11139 1 . LEU 13 13 11139 1 . GLN 14 14 11139 1 . THR 15 15 11139 1 . GLN 16 16 11139 1 . ALA 17 17 11139 1 . SER 18 18 11139 1 . ALA 19 19 11139 1 . THR 20 20 11139 1 . VAL 21 21 11139 1 . ALA 22 22 11139 1 . ILE 23 23 11139 1 . PRO 24 24 11139 1 . LYS 25 25 11139 1 . GLU 26 26 11139 1 . HIS 27 27 11139 1 . HIS 28 28 11139 1 . ARG 29 29 11139 1 . PHE 30 30 11139 1 . VAL 31 31 11139 1 . ILE 32 32 11139 1 . GLY 33 33 11139 1 . LYS 34 34 11139 1 . ASN 35 35 11139 1 . GLY 36 36 11139 1 . GLU 37 37 11139 1 . LYS 38 38 11139 1 . LEU 39 39 11139 1 . GLN 40 40 11139 1 . ASP 41 41 11139 1 . LEU 42 42 11139 1 . GLU 43 43 11139 1 . LEU 44 44 11139 1 . LYS 45 45 11139 1 . THR 46 46 11139 1 . ALA 47 47 11139 1 . THR 48 48 11139 1 . LYS 49 49 11139 1 . ILE 50 50 11139 1 . GLN 51 51 11139 1 . ILE 52 52 11139 1 . PRO 53 53 11139 1 . ARG 54 54 11139 1 . PRO 55 55 11139 1 . ASP 56 56 11139 1 . ASP 57 57 11139 1 . PRO 58 58 11139 1 . SER 59 59 11139 1 . ASN 60 60 11139 1 . GLN 61 61 11139 1 . ILE 62 62 11139 1 . LYS 63 63 11139 1 . ILE 64 64 11139 1 . THR 65 65 11139 1 . GLY 66 66 11139 1 . THR 67 67 11139 1 . LYS 68 68 11139 1 . GLU 69 69 11139 1 . GLY 70 70 11139 1 . ILE 71 71 11139 1 . GLU 72 72 11139 1 . LYS 73 73 11139 1 . ALA 74 74 11139 1 . ARG 75 75 11139 1 . HIS 76 76 11139 1 . GLU 77 77 11139 1 . VAL 78 78 11139 1 . LEU 79 79 11139 1 . LEU 80 80 11139 1 . ILE 81 81 11139 1 . SER 82 82 11139 1 . ALA 83 83 11139 1 . GLU 84 84 11139 1 . GLN 85 85 11139 1 . ASP 86 86 11139 1 . LYS 87 87 11139 1 . ARG 88 88 11139 1 . SER 89 89 11139 1 . GLY 90 90 11139 1 . PRO 91 91 11139 1 . SER 92 92 11139 1 . SER 93 93 11139 1 . GLY 94 94 11139 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 11139 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11139 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 11139 _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' 'E. coli - cell free' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P050131-12 . . . . . . 11139 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11139 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.05mM KH domain {U-15N,13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.05 . . mM . . . . 11139 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11139 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11139 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11139 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11139 1 6 H2O . . . . . . solvent 90 . . % . . . . 11139 1 7 D2O . . . . . . solvent 10 . . % . . . . 11139 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 11139 _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 11139 1 pH 7.0 0.05 pH 11139 1 pressure 1 0.001 atm 11139 1 temperature 298 0.1 K 11139 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11139 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11139 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11139 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11139 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11139 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11139 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11139 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11139 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11139 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11139 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'obayashi, N.' . . 11139 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11139 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11139 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11139 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11139 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 11139 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11139 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11139 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11139 _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 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11139 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11139 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11139 _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 . . . . . . . . . 11139 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11139 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11139 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 11139 _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 11139 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11139 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11139 1 2 $NMRPipe . . 11139 1 3 $NMRview . . 11139 1 4 $Kujira . . 11139 1 5 $CYANA . . 11139 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.746 0.030 . 1 . . . . 1 GLY HA2 . 11139 1 2 . 1 1 1 1 GLY HA3 H 1 3.746 0.030 . 1 . . . . 1 GLY HA3 . 11139 1 3 . 1 1 1 1 GLY CA C 13 41.409 0.300 . 1 . . . . 1 GLY CA . 11139 1 4 . 1 1 6 6 SER HA H 1 4.347 0.030 . 1 . . . . 6 SER HA . 11139 1 5 . 1 1 6 6 SER HB2 H 1 3.798 0.030 . 1 . . . . 6 SER HB2 . 11139 1 6 . 1 1 6 6 SER HB3 H 1 3.798 0.030 . 1 . . . . 6 SER HB3 . 11139 1 7 . 1 1 6 6 SER C C 13 172.789 0.300 . 1 . . . . 6 SER C . 11139 1 8 . 1 1 6 6 SER CA C 13 56.554 0.300 . 1 . . . . 6 SER CA . 11139 1 9 . 1 1 6 6 SER CB C 13 61.375 0.300 . 1 . . . . 6 SER CB . 11139 1 10 . 1 1 7 7 GLY H H 1 8.311 0.030 . 1 . . . . 7 GLY H . 11139 1 11 . 1 1 7 7 GLY HA2 H 1 3.852 0.030 . 1 . . . . 7 GLY HA2 . 11139 1 12 . 1 1 7 7 GLY HA3 H 1 3.852 0.030 . 1 . . . . 7 GLY HA3 . 11139 1 13 . 1 1 7 7 GLY C C 13 171.716 0.300 . 1 . . . . 7 GLY C . 11139 1 14 . 1 1 7 7 GLY CA C 13 43.090 0.300 . 1 . . . . 7 GLY CA . 11139 1 15 . 1 1 7 7 GLY N N 15 110.103 0.300 . 1 . . . . 7 GLY N . 11139 1 16 . 1 1 8 8 ASP H H 1 8.071 0.030 . 1 . . . . 8 ASP H . 11139 1 17 . 1 1 8 8 ASP HA H 1 4.478 0.030 . 1 . . . . 8 ASP HA . 11139 1 18 . 1 1 8 8 ASP HB2 H 1 2.570 0.030 . 2 . . . . 8 ASP HB2 . 11139 1 19 . 1 1 8 8 ASP HB3 H 1 2.486 0.030 . 2 . . . . 8 ASP HB3 . 11139 1 20 . 1 1 8 8 ASP C C 13 174.113 0.300 . 1 . . . . 8 ASP C . 11139 1 21 . 1 1 8 8 ASP CA C 13 52.229 0.300 . 1 . . . . 8 ASP CA . 11139 1 22 . 1 1 8 8 ASP CB C 13 38.768 0.300 . 1 . . . . 8 ASP CB . 11139 1 23 . 1 1 8 8 ASP N N 15 120.282 0.300 . 1 . . . . 8 ASP N . 11139 1 24 . 1 1 9 9 ILE H H 1 7.977 0.030 . 1 . . . . 9 ILE H . 11139 1 25 . 1 1 9 9 ILE HA H 1 3.973 0.030 . 1 . . . . 9 ILE HA . 11139 1 26 . 1 1 9 9 ILE HB H 1 1.782 0.030 . 1 . . . . 9 ILE HB . 11139 1 27 . 1 1 9 9 ILE HD11 H 1 0.748 0.030 . 1 . . . . 9 ILE HD1 . 11139 1 28 . 1 1 9 9 ILE HD12 H 1 0.748 0.030 . 1 . . . . 9 ILE HD1 . 11139 1 29 . 1 1 9 9 ILE HD13 H 1 0.748 0.030 . 1 . . . . 9 ILE HD1 . 11139 1 30 . 1 1 9 9 ILE HG12 H 1 1.376 0.030 . 2 . . . . 9 ILE HG12 . 11139 1 31 . 1 1 9 9 ILE HG13 H 1 1.091 0.030 . 2 . . . . 9 ILE HG13 . 11139 1 32 . 1 1 9 9 ILE HG21 H 1 0.788 0.030 . 1 . . . . 9 ILE HG2 . 11139 1 33 . 1 1 9 9 ILE HG22 H 1 0.788 0.030 . 1 . . . . 9 ILE HG2 . 11139 1 34 . 1 1 9 9 ILE HG23 H 1 0.788 0.030 . 1 . . . . 9 ILE HG2 . 11139 1 35 . 1 1 9 9 ILE C C 13 174.249 0.300 . 1 . . . . 9 ILE C . 11139 1 36 . 1 1 9 9 ILE CA C 13 59.509 0.300 . 1 . . . . 9 ILE CA . 11139 1 37 . 1 1 9 9 ILE CB C 13 36.088 0.300 . 1 . . . . 9 ILE CB . 11139 1 38 . 1 1 9 9 ILE CD1 C 13 10.572 0.300 . 1 . . . . 9 ILE CD1 . 11139 1 39 . 1 1 9 9 ILE CG1 C 13 25.144 0.300 . 1 . . . . 9 ILE CG1 . 11139 1 40 . 1 1 9 9 ILE CG2 C 13 15.158 0.300 . 1 . . . . 9 ILE CG2 . 11139 1 41 . 1 1 9 9 ILE N N 15 120.611 0.300 . 1 . . . . 9 ILE N . 11139 1 42 . 1 1 10 10 VAL H H 1 7.965 0.030 . 1 . . . . 10 VAL H . 11139 1 43 . 1 1 10 10 VAL HA H 1 3.872 0.030 . 1 . . . . 10 VAL HA . 11139 1 44 . 1 1 10 10 VAL HB H 1 1.951 0.030 . 1 . . . . 10 VAL HB . 11139 1 45 . 1 1 10 10 VAL HG11 H 1 0.839 0.030 . 1 . . . . 10 VAL HG1 . 11139 1 46 . 1 1 10 10 VAL HG12 H 1 0.839 0.030 . 1 . . . . 10 VAL HG1 . 11139 1 47 . 1 1 10 10 VAL HG13 H 1 0.839 0.030 . 1 . . . . 10 VAL HG1 . 11139 1 48 . 1 1 10 10 VAL HG21 H 1 0.811 0.030 . 1 . . . . 10 VAL HG2 . 11139 1 49 . 1 1 10 10 VAL HG22 H 1 0.811 0.030 . 1 . . . . 10 VAL HG2 . 11139 1 50 . 1 1 10 10 VAL HG23 H 1 0.811 0.030 . 1 . . . . 10 VAL HG2 . 11139 1 51 . 1 1 10 10 VAL C C 13 174.020 0.300 . 1 . . . . 10 VAL C . 11139 1 52 . 1 1 10 10 VAL CA C 13 60.730 0.300 . 1 . . . . 10 VAL CA . 11139 1 53 . 1 1 10 10 VAL CB C 13 30.018 0.300 . 1 . . . . 10 VAL CB . 11139 1 54 . 1 1 10 10 VAL CG1 C 13 18.708 0.300 . 2 . . . . 10 VAL CG1 . 11139 1 55 . 1 1 10 10 VAL CG2 C 13 18.793 0.300 . 2 . . . . 10 VAL CG2 . 11139 1 56 . 1 1 10 10 VAL N N 15 123.300 0.300 . 1 . . . . 10 VAL N . 11139 1 57 . 1 1 11 11 ALA H H 1 8.141 0.030 . 1 . . . . 11 ALA H . 11139 1 58 . 1 1 11 11 ALA HA H 1 4.147 0.030 . 1 . . . . 11 ALA HA . 11139 1 59 . 1 1 11 11 ALA HB1 H 1 1.279 0.030 . 1 . . . . 11 ALA HB . 11139 1 60 . 1 1 11 11 ALA HB2 H 1 1.279 0.030 . 1 . . . . 11 ALA HB . 11139 1 61 . 1 1 11 11 ALA HB3 H 1 1.279 0.030 . 1 . . . . 11 ALA HB . 11139 1 62 . 1 1 11 11 ALA C C 13 175.788 0.300 . 1 . . . . 11 ALA C . 11139 1 63 . 1 1 11 11 ALA CA C 13 50.624 0.300 . 1 . . . . 11 ALA CA . 11139 1 64 . 1 1 11 11 ALA CB C 13 16.601 0.300 . 1 . . . . 11 ALA CB . 11139 1 65 . 1 1 11 11 ALA N N 15 126.415 0.300 . 1 . . . . 11 ALA N . 11139 1 66 . 1 1 12 12 ARG H H 1 8.068 0.030 . 1 . . . . 12 ARG H . 11139 1 67 . 1 1 12 12 ARG HA H 1 4.172 0.030 . 1 . . . . 12 ARG HA . 11139 1 68 . 1 1 12 12 ARG HB2 H 1 1.679 0.030 . 2 . . . . 12 ARG HB2 . 11139 1 69 . 1 1 12 12 ARG HB3 H 1 1.741 0.030 . 2 . . . . 12 ARG HB3 . 11139 1 70 . 1 1 12 12 ARG HD2 H 1 3.087 0.030 . 1 . . . . 12 ARG HD2 . 11139 1 71 . 1 1 12 12 ARG HD3 H 1 3.087 0.030 . 1 . . . . 12 ARG HD3 . 11139 1 72 . 1 1 12 12 ARG HG2 H 1 1.550 0.030 . 2 . . . . 12 ARG HG2 . 11139 1 73 . 1 1 12 12 ARG HG3 H 1 1.508 0.030 . 2 . . . . 12 ARG HG3 . 11139 1 74 . 1 1 12 12 ARG C C 13 174.310 0.300 . 1 . . . . 12 ARG C . 11139 1 75 . 1 1 12 12 ARG CA C 13 54.148 0.300 . 1 . . . . 12 ARG CA . 11139 1 76 . 1 1 12 12 ARG CB C 13 28.279 0.300 . 1 . . . . 12 ARG CB . 11139 1 77 . 1 1 12 12 ARG CD C 13 41.053 0.300 . 1 . . . . 12 ARG CD . 11139 1 78 . 1 1 12 12 ARG CG C 13 24.767 0.300 . 1 . . . . 12 ARG CG . 11139 1 79 . 1 1 12 12 ARG N N 15 119.316 0.300 . 1 . . . . 12 ARG N . 11139 1 80 . 1 1 13 13 LEU H H 1 8.072 0.030 . 1 . . . . 13 LEU H . 11139 1 81 . 1 1 13 13 LEU HA H 1 4.218 0.030 . 1 . . . . 13 LEU HA . 11139 1 82 . 1 1 13 13 LEU HB2 H 1 1.594 0.030 . 2 . . . . 13 LEU HB2 . 11139 1 83 . 1 1 13 13 LEU HB3 H 1 1.479 0.030 . 2 . . . . 13 LEU HB3 . 11139 1 84 . 1 1 13 13 LEU HD11 H 1 0.814 0.030 . 1 . . . . 13 LEU HD1 . 11139 1 85 . 1 1 13 13 LEU HD12 H 1 0.814 0.030 . 1 . . . . 13 LEU HD1 . 11139 1 86 . 1 1 13 13 LEU HD13 H 1 0.814 0.030 . 1 . . . . 13 LEU HD1 . 11139 1 87 . 1 1 13 13 LEU HD21 H 1 0.756 0.030 . 1 . . . . 13 LEU HD2 . 11139 1 88 . 1 1 13 13 LEU HD22 H 1 0.756 0.030 . 1 . . . . 13 LEU HD2 . 11139 1 89 . 1 1 13 13 LEU HD23 H 1 0.756 0.030 . 1 . . . . 13 LEU HD2 . 11139 1 90 . 1 1 13 13 LEU HG H 1 1.551 0.030 . 1 . . . . 13 LEU HG . 11139 1 91 . 1 1 13 13 LEU C C 13 175.301 0.300 . 1 . . . . 13 LEU C . 11139 1 92 . 1 1 13 13 LEU CA C 13 53.136 0.300 . 1 . . . . 13 LEU CA . 11139 1 93 . 1 1 13 13 LEU CB C 13 39.942 0.300 . 1 . . . . 13 LEU CB . 11139 1 94 . 1 1 13 13 LEU CD1 C 13 22.597 0.300 . 2 . . . . 13 LEU CD1 . 11139 1 95 . 1 1 13 13 LEU CD2 C 13 21.014 0.300 . 2 . . . . 13 LEU CD2 . 11139 1 96 . 1 1 13 13 LEU CG C 13 24.569 0.300 . 1 . . . . 13 LEU CG . 11139 1 97 . 1 1 13 13 LEU N N 15 122.006 0.300 . 1 . . . . 13 LEU N . 11139 1 98 . 1 1 14 14 GLN H H 1 8.238 0.030 . 1 . . . . 14 GLN H . 11139 1 99 . 1 1 14 14 GLN HA H 1 4.307 0.030 . 1 . . . . 14 GLN HA . 11139 1 100 . 1 1 14 14 GLN HB2 H 1 1.925 0.030 . 2 . . . . 14 GLN HB2 . 11139 1 101 . 1 1 14 14 GLN HB3 H 1 2.061 0.030 . 2 . . . . 14 GLN HB3 . 11139 1 102 . 1 1 14 14 GLN HE21 H 1 6.820 0.030 . 2 . . . . 14 GLN HE21 . 11139 1 103 . 1 1 14 14 GLN HE22 H 1 7.459 0.030 . 2 . . . . 14 GLN HE22 . 11139 1 104 . 1 1 14 14 GLN HG2 H 1 2.308 0.030 . 1 . . . . 14 GLN HG2 . 11139 1 105 . 1 1 14 14 GLN HG3 H 1 2.308 0.030 . 1 . . . . 14 GLN HG3 . 11139 1 106 . 1 1 14 14 GLN C C 13 173.784 0.300 . 1 . . . . 14 GLN C . 11139 1 107 . 1 1 14 14 GLN CA C 13 53.615 0.300 . 1 . . . . 14 GLN CA . 11139 1 108 . 1 1 14 14 GLN CB C 13 27.033 0.300 . 1 . . . . 14 GLN CB . 11139 1 109 . 1 1 14 14 GLN CG C 13 31.617 0.300 . 1 . . . . 14 GLN CG . 11139 1 110 . 1 1 14 14 GLN N N 15 120.272 0.300 . 1 . . . . 14 GLN N . 11139 1 111 . 1 1 14 14 GLN NE2 N 15 112.173 0.300 . 1 . . . . 14 GLN NE2 . 11139 1 112 . 1 1 15 15 THR H H 1 7.987 0.030 . 1 . . . . 15 THR H . 11139 1 113 . 1 1 15 15 THR HA H 1 4.189 0.030 . 1 . . . . 15 THR HA . 11139 1 114 . 1 1 15 15 THR HB H 1 4.132 0.030 . 1 . . . . 15 THR HB . 11139 1 115 . 1 1 15 15 THR HG21 H 1 1.125 0.030 . 1 . . . . 15 THR HG2 . 11139 1 116 . 1 1 15 15 THR HG22 H 1 1.125 0.030 . 1 . . . . 15 THR HG2 . 11139 1 117 . 1 1 15 15 THR HG23 H 1 1.125 0.030 . 1 . . . . 15 THR HG2 . 11139 1 118 . 1 1 15 15 THR C C 13 172.003 0.300 . 1 . . . . 15 THR C . 11139 1 119 . 1 1 15 15 THR CA C 13 59.769 0.300 . 1 . . . . 15 THR CA . 11139 1 120 . 1 1 15 15 THR CB C 13 67.465 0.300 . 1 . . . . 15 THR CB . 11139 1 121 . 1 1 15 15 THR CG2 C 13 19.473 0.300 . 1 . . . . 15 THR CG2 . 11139 1 122 . 1 1 15 15 THR N N 15 114.422 0.300 . 1 . . . . 15 THR N . 11139 1 123 . 1 1 16 16 GLN H H 1 8.187 0.030 . 1 . . . . 16 GLN H . 11139 1 124 . 1 1 16 16 GLN HA H 1 4.250 0.030 . 1 . . . . 16 GLN HA . 11139 1 125 . 1 1 16 16 GLN HB2 H 1 1.823 0.030 . 2 . . . . 16 GLN HB2 . 11139 1 126 . 1 1 16 16 GLN HB3 H 1 1.957 0.030 . 2 . . . . 16 GLN HB3 . 11139 1 127 . 1 1 16 16 GLN HE21 H 1 6.753 0.030 . 2 . . . . 16 GLN HE21 . 11139 1 128 . 1 1 16 16 GLN HE22 H 1 7.413 0.030 . 2 . . . . 16 GLN HE22 . 11139 1 129 . 1 1 16 16 GLN HG2 H 1 2.170 0.030 . 2 . . . . 16 GLN HG2 . 11139 1 130 . 1 1 16 16 GLN HG3 H 1 2.243 0.030 . 2 . . . . 16 GLN HG3 . 11139 1 131 . 1 1 16 16 GLN C C 13 172.561 0.300 . 1 . . . . 16 GLN C . 11139 1 132 . 1 1 16 16 GLN CA C 13 53.349 0.300 . 1 . . . . 16 GLN CA . 11139 1 133 . 1 1 16 16 GLN CB C 13 27.900 0.300 . 1 . . . . 16 GLN CB . 11139 1 134 . 1 1 16 16 GLN CG C 13 31.864 0.300 . 1 . . . . 16 GLN CG . 11139 1 135 . 1 1 16 16 GLN N N 15 122.388 0.300 . 1 . . . . 16 GLN N . 11139 1 136 . 1 1 16 16 GLN NE2 N 15 111.874 0.300 . 1 . . . . 16 GLN NE2 . 11139 1 137 . 1 1 17 17 ALA H H 1 8.586 0.030 . 1 . . . . 17 ALA H . 11139 1 138 . 1 1 17 17 ALA HA H 1 4.498 0.030 . 1 . . . . 17 ALA HA . 11139 1 139 . 1 1 17 17 ALA HB1 H 1 1.293 0.030 . 1 . . . . 17 ALA HB . 11139 1 140 . 1 1 17 17 ALA HB2 H 1 1.293 0.030 . 1 . . . . 17 ALA HB . 11139 1 141 . 1 1 17 17 ALA HB3 H 1 1.293 0.030 . 1 . . . . 17 ALA HB . 11139 1 142 . 1 1 17 17 ALA C C 13 172.789 0.300 . 1 . . . . 17 ALA C . 11139 1 143 . 1 1 17 17 ALA CA C 13 49.121 0.300 . 1 . . . . 17 ALA CA . 11139 1 144 . 1 1 17 17 ALA CB C 13 18.644 0.300 . 1 . . . . 17 ALA CB . 11139 1 145 . 1 1 17 17 ALA N N 15 126.700 0.300 . 1 . . . . 17 ALA N . 11139 1 146 . 1 1 18 18 SER H H 1 7.951 0.030 . 1 . . . . 18 SER H . 11139 1 147 . 1 1 18 18 SER HA H 1 5.526 0.030 . 1 . . . . 18 SER HA . 11139 1 148 . 1 1 18 18 SER HB2 H 1 3.605 0.030 . 2 . . . . 18 SER HB2 . 11139 1 149 . 1 1 18 18 SER HB3 H 1 3.502 0.030 . 2 . . . . 18 SER HB3 . 11139 1 150 . 1 1 18 18 SER C C 13 171.078 0.300 . 1 . . . . 18 SER C . 11139 1 151 . 1 1 18 18 SER CA C 13 54.855 0.300 . 1 . . . . 18 SER CA . 11139 1 152 . 1 1 18 18 SER CB C 13 64.286 0.300 . 1 . . . . 18 SER CB . 11139 1 153 . 1 1 18 18 SER N N 15 110.631 0.300 . 1 . . . . 18 SER N . 11139 1 154 . 1 1 19 19 ALA H H 1 9.060 0.030 . 1 . . . . 19 ALA H . 11139 1 155 . 1 1 19 19 ALA HA H 1 4.649 0.030 . 1 . . . . 19 ALA HA . 11139 1 156 . 1 1 19 19 ALA HB1 H 1 1.259 0.030 . 1 . . . . 19 ALA HB . 11139 1 157 . 1 1 19 19 ALA HB2 H 1 1.259 0.030 . 1 . . . . 19 ALA HB . 11139 1 158 . 1 1 19 19 ALA HB3 H 1 1.259 0.030 . 1 . . . . 19 ALA HB . 11139 1 159 . 1 1 19 19 ALA C C 13 173.355 0.300 . 1 . . . . 19 ALA C . 11139 1 160 . 1 1 19 19 ALA CA C 13 48.886 0.300 . 1 . . . . 19 ALA CA . 11139 1 161 . 1 1 19 19 ALA CB C 13 21.261 0.300 . 1 . . . . 19 ALA CB . 11139 1 162 . 1 1 19 19 ALA N N 15 124.690 0.300 . 1 . . . . 19 ALA N . 11139 1 163 . 1 1 20 20 THR H H 1 8.283 0.030 . 1 . . . . 20 THR H . 11139 1 164 . 1 1 20 20 THR HA H 1 5.327 0.030 . 1 . . . . 20 THR HA . 11139 1 165 . 1 1 20 20 THR HB H 1 3.814 0.030 . 1 . . . . 20 THR HB . 11139 1 166 . 1 1 20 20 THR HG21 H 1 0.943 0.030 . 1 . . . . 20 THR HG2 . 11139 1 167 . 1 1 20 20 THR HG22 H 1 0.943 0.030 . 1 . . . . 20 THR HG2 . 11139 1 168 . 1 1 20 20 THR HG23 H 1 0.943 0.030 . 1 . . . . 20 THR HG2 . 11139 1 169 . 1 1 20 20 THR C C 13 171.988 0.300 . 1 . . . . 20 THR C . 11139 1 170 . 1 1 20 20 THR CA C 13 57.738 0.300 . 1 . . . . 20 THR CA . 11139 1 171 . 1 1 20 20 THR CB C 13 69.081 0.300 . 1 . . . . 20 THR CB . 11139 1 172 . 1 1 20 20 THR CG2 C 13 19.440 0.300 . 1 . . . . 20 THR CG2 . 11139 1 173 . 1 1 20 20 THR N N 15 111.522 0.300 . 1 . . . . 20 THR N . 11139 1 174 . 1 1 21 21 VAL H H 1 9.062 0.030 . 1 . . . . 21 VAL H . 11139 1 175 . 1 1 21 21 VAL HA H 1 4.341 0.030 . 1 . . . . 21 VAL HA . 11139 1 176 . 1 1 21 21 VAL HB H 1 1.747 0.030 . 1 . . . . 21 VAL HB . 11139 1 177 . 1 1 21 21 VAL HG11 H 1 0.747 0.030 . 1 . . . . 21 VAL HG1 . 11139 1 178 . 1 1 21 21 VAL HG12 H 1 0.747 0.030 . 1 . . . . 21 VAL HG1 . 11139 1 179 . 1 1 21 21 VAL HG13 H 1 0.747 0.030 . 1 . . . . 21 VAL HG1 . 11139 1 180 . 1 1 21 21 VAL HG21 H 1 0.760 0.030 . 1 . . . . 21 VAL HG2 . 11139 1 181 . 1 1 21 21 VAL HG22 H 1 0.760 0.030 . 1 . . . . 21 VAL HG2 . 11139 1 182 . 1 1 21 21 VAL HG23 H 1 0.760 0.030 . 1 . . . . 21 VAL HG2 . 11139 1 183 . 1 1 21 21 VAL C C 13 170.074 0.300 . 1 . . . . 21 VAL C . 11139 1 184 . 1 1 21 21 VAL CA C 13 57.679 0.300 . 1 . . . . 21 VAL CA . 11139 1 185 . 1 1 21 21 VAL CB C 13 32.812 0.300 . 1 . . . . 21 VAL CB . 11139 1 186 . 1 1 21 21 VAL CG1 C 13 18.278 0.300 . 2 . . . . 21 VAL CG1 . 11139 1 187 . 1 1 21 21 VAL CG2 C 13 18.947 0.300 . 2 . . . . 21 VAL CG2 . 11139 1 188 . 1 1 21 21 VAL N N 15 122.718 0.300 . 1 . . . . 21 VAL N . 11139 1 189 . 1 1 22 22 ALA H H 1 8.459 0.030 . 1 . . . . 22 ALA H . 11139 1 190 . 1 1 22 22 ALA HA H 1 4.742 0.030 . 1 . . . . 22 ALA HA . 11139 1 191 . 1 1 22 22 ALA HB1 H 1 1.142 0.030 . 1 . . . . 22 ALA HB . 11139 1 192 . 1 1 22 22 ALA HB2 H 1 1.142 0.030 . 1 . . . . 22 ALA HB . 11139 1 193 . 1 1 22 22 ALA HB3 H 1 1.142 0.030 . 1 . . . . 22 ALA HB . 11139 1 194 . 1 1 22 22 ALA C C 13 174.118 0.300 . 1 . . . . 22 ALA C . 11139 1 195 . 1 1 22 22 ALA CA C 13 48.874 0.300 . 1 . . . . 22 ALA CA . 11139 1 196 . 1 1 22 22 ALA CB C 13 17.158 0.300 . 1 . . . . 22 ALA CB . 11139 1 197 . 1 1 22 22 ALA N N 15 130.288 0.300 . 1 . . . . 22 ALA N . 11139 1 198 . 1 1 23 23 ILE H H 1 7.642 0.030 . 1 . . . . 23 ILE H . 11139 1 199 . 1 1 23 23 ILE HA H 1 4.668 0.030 . 1 . . . . 23 ILE HA . 11139 1 200 . 1 1 23 23 ILE HB H 1 2.049 0.030 . 1 . . . . 23 ILE HB . 11139 1 201 . 1 1 23 23 ILE HD11 H 1 0.662 0.030 . 1 . . . . 23 ILE HD1 . 11139 1 202 . 1 1 23 23 ILE HD12 H 1 0.662 0.030 . 1 . . . . 23 ILE HD1 . 11139 1 203 . 1 1 23 23 ILE HD13 H 1 0.662 0.030 . 1 . . . . 23 ILE HD1 . 11139 1 204 . 1 1 23 23 ILE HG12 H 1 1.385 0.030 . 2 . . . . 23 ILE HG12 . 11139 1 205 . 1 1 23 23 ILE HG13 H 1 0.837 0.030 . 2 . . . . 23 ILE HG13 . 11139 1 206 . 1 1 23 23 ILE HG21 H 1 0.886 0.030 . 1 . . . . 23 ILE HG2 . 11139 1 207 . 1 1 23 23 ILE HG22 H 1 0.886 0.030 . 1 . . . . 23 ILE HG2 . 11139 1 208 . 1 1 23 23 ILE HG23 H 1 0.886 0.030 . 1 . . . . 23 ILE HG2 . 11139 1 209 . 1 1 23 23 ILE C C 13 169.970 0.300 . 1 . . . . 23 ILE C . 11139 1 210 . 1 1 23 23 ILE CA C 13 55.184 0.300 . 1 . . . . 23 ILE CA . 11139 1 211 . 1 1 23 23 ILE CB C 13 37.115 0.300 . 1 . . . . 23 ILE CB . 11139 1 212 . 1 1 23 23 ILE CD1 C 13 11.367 0.300 . 1 . . . . 23 ILE CD1 . 11139 1 213 . 1 1 23 23 ILE CG1 C 13 22.954 0.300 . 1 . . . . 23 ILE CG1 . 11139 1 214 . 1 1 23 23 ILE CG2 C 13 16.067 0.300 . 1 . . . . 23 ILE CG2 . 11139 1 215 . 1 1 23 23 ILE N N 15 116.985 0.300 . 1 . . . . 23 ILE N . 11139 1 216 . 1 1 24 24 PRO HA H 1 4.011 0.030 . 1 . . . . 24 PRO HA . 11139 1 217 . 1 1 24 24 PRO HB2 H 1 1.911 0.030 . 2 . . . . 24 PRO HB2 . 11139 1 218 . 1 1 24 24 PRO HB3 H 1 0.599 0.030 . 2 . . . . 24 PRO HB3 . 11139 1 219 . 1 1 24 24 PRO HD2 H 1 3.542 0.030 . 2 . . . . 24 PRO HD2 . 11139 1 220 . 1 1 24 24 PRO HD3 H 1 3.617 0.030 . 2 . . . . 24 PRO HD3 . 11139 1 221 . 1 1 24 24 PRO HG2 H 1 1.668 0.030 . 1 . . . . 24 PRO HG2 . 11139 1 222 . 1 1 24 24 PRO HG3 H 1 1.668 0.030 . 1 . . . . 24 PRO HG3 . 11139 1 223 . 1 1 24 24 PRO CA C 13 61.374 0.300 . 1 . . . . 24 PRO CA . 11139 1 224 . 1 1 24 24 PRO CB C 13 29.013 0.300 . 1 . . . . 24 PRO CB . 11139 1 225 . 1 1 24 24 PRO CD C 13 47.845 0.300 . 1 . . . . 24 PRO CD . 11139 1 226 . 1 1 24 24 PRO CG C 13 25.780 0.300 . 1 . . . . 24 PRO CG . 11139 1 227 . 1 1 25 25 LYS H H 1 8.661 0.030 . 1 . . . . 25 LYS H . 11139 1 228 . 1 1 25 25 LYS HA H 1 2.653 0.030 . 1 . . . . 25 LYS HA . 11139 1 229 . 1 1 25 25 LYS HB2 H 1 1.682 0.030 . 2 . . . . 25 LYS HB2 . 11139 1 230 . 1 1 25 25 LYS HB3 H 1 1.478 0.030 . 2 . . . . 25 LYS HB3 . 11139 1 231 . 1 1 25 25 LYS HD2 H 1 1.089 0.030 . 1 . . . . 25 LYS HD2 . 11139 1 232 . 1 1 25 25 LYS HD3 H 1 1.089 0.030 . 1 . . . . 25 LYS HD3 . 11139 1 233 . 1 1 25 25 LYS HE2 H 1 2.923 0.030 . 2 . . . . 25 LYS HE2 . 11139 1 234 . 1 1 25 25 LYS HE3 H 1 2.753 0.030 . 2 . . . . 25 LYS HE3 . 11139 1 235 . 1 1 25 25 LYS HG2 H 1 1.031 0.030 . 2 . . . . 25 LYS HG2 . 11139 1 236 . 1 1 25 25 LYS HG3 H 1 1.173 0.030 . 2 . . . . 25 LYS HG3 . 11139 1 237 . 1 1 25 25 LYS C C 13 176.760 0.300 . 1 . . . . 25 LYS C . 11139 1 238 . 1 1 25 25 LYS CA C 13 55.967 0.300 . 1 . . . . 25 LYS CA . 11139 1 239 . 1 1 25 25 LYS CB C 13 31.070 0.300 . 1 . . . . 25 LYS CB . 11139 1 240 . 1 1 25 25 LYS CD C 13 26.713 0.300 . 1 . . . . 25 LYS CD . 11139 1 241 . 1 1 25 25 LYS CE C 13 40.767 0.300 . 1 . . . . 25 LYS CE . 11139 1 242 . 1 1 25 25 LYS CG C 13 21.890 0.300 . 1 . . . . 25 LYS CG . 11139 1 243 . 1 1 25 25 LYS N N 15 126.975 0.300 . 1 . . . . 25 LYS N . 11139 1 244 . 1 1 26 26 GLU H H 1 9.643 0.030 . 1 . . . . 26 GLU H . 11139 1 245 . 1 1 26 26 GLU HA H 1 4.103 0.030 . 1 . . . . 26 GLU HA . 11139 1 246 . 1 1 26 26 GLU HB2 H 1 2.002 0.030 . 1 . . . . 26 GLU HB2 . 11139 1 247 . 1 1 26 26 GLU HB3 H 1 2.002 0.030 . 1 . . . . 26 GLU HB3 . 11139 1 248 . 1 1 26 26 GLU HG2 H 1 2.248 0.030 . 2 . . . . 26 GLU HG2 . 11139 1 249 . 1 1 26 26 GLU HG3 H 1 2.077 0.030 . 2 . . . . 26 GLU HG3 . 11139 1 250 . 1 1 26 26 GLU C C 13 174.510 0.300 . 1 . . . . 26 GLU C . 11139 1 251 . 1 1 26 26 GLU CA C 13 56.206 0.300 . 1 . . . . 26 GLU CA . 11139 1 252 . 1 1 26 26 GLU CB C 13 26.011 0.300 . 1 . . . . 26 GLU CB . 11139 1 253 . 1 1 26 26 GLU CG C 13 33.789 0.300 . 1 . . . . 26 GLU CG . 11139 1 254 . 1 1 26 26 GLU N N 15 116.804 0.300 . 1 . . . . 26 GLU N . 11139 1 255 . 1 1 27 27 HIS H H 1 8.402 0.030 . 1 . . . . 27 HIS H . 11139 1 256 . 1 1 27 27 HIS HA H 1 5.188 0.030 . 1 . . . . 27 HIS HA . 11139 1 257 . 1 1 27 27 HIS HB2 H 1 3.405 0.030 . 2 . . . . 27 HIS HB2 . 11139 1 258 . 1 1 27 27 HIS HB3 H 1 3.131 0.030 . 2 . . . . 27 HIS HB3 . 11139 1 259 . 1 1 27 27 HIS HD2 H 1 6.708 0.030 . 1 . . . . 27 HIS HD2 . 11139 1 260 . 1 1 27 27 HIS HE1 H 1 7.733 0.030 . 1 . . . . 27 HIS HE1 . 11139 1 261 . 1 1 27 27 HIS C C 13 176.108 0.300 . 1 . . . . 27 HIS C . 11139 1 262 . 1 1 27 27 HIS CA C 13 51.846 0.300 . 1 . . . . 27 HIS CA . 11139 1 263 . 1 1 27 27 HIS CB C 13 30.092 0.300 . 1 . . . . 27 HIS CB . 11139 1 264 . 1 1 27 27 HIS CD2 C 13 112.160 0.300 . 1 . . . . 27 HIS CD2 . 11139 1 265 . 1 1 27 27 HIS CE1 C 13 137.946 0.300 . 1 . . . . 27 HIS CE1 . 11139 1 266 . 1 1 27 27 HIS N N 15 115.629 0.300 . 1 . . . . 27 HIS N . 11139 1 267 . 1 1 28 28 HIS H H 1 8.327 0.030 . 1 . . . . 28 HIS H . 11139 1 268 . 1 1 28 28 HIS HA H 1 4.020 0.030 . 1 . . . . 28 HIS HA . 11139 1 269 . 1 1 28 28 HIS HB2 H 1 3.305 0.030 . 2 . . . . 28 HIS HB2 . 11139 1 270 . 1 1 28 28 HIS HB3 H 1 2.883 0.030 . 2 . . . . 28 HIS HB3 . 11139 1 271 . 1 1 28 28 HIS HD2 H 1 6.808 0.030 . 1 . . . . 28 HIS HD2 . 11139 1 272 . 1 1 28 28 HIS HE1 H 1 7.099 0.030 . 1 . . . . 28 HIS HE1 . 11139 1 273 . 1 1 28 28 HIS C C 13 176.197 0.300 . 1 . . . . 28 HIS C . 11139 1 274 . 1 1 28 28 HIS CA C 13 58.442 0.300 . 1 . . . . 28 HIS CA . 11139 1 275 . 1 1 28 28 HIS CB C 13 28.545 0.300 . 1 . . . . 28 HIS CB . 11139 1 276 . 1 1 28 28 HIS CD2 C 13 114.717 0.300 . 1 . . . . 28 HIS CD2 . 11139 1 277 . 1 1 28 28 HIS CE1 C 13 134.101 0.300 . 1 . . . . 28 HIS CE1 . 11139 1 278 . 1 1 28 28 HIS N N 15 121.558 0.300 . 1 . . . . 28 HIS N . 11139 1 279 . 1 1 29 29 ARG H H 1 8.543 0.030 . 1 . . . . 29 ARG H . 11139 1 280 . 1 1 29 29 ARG HA H 1 4.008 0.030 . 1 . . . . 29 ARG HA . 11139 1 281 . 1 1 29 29 ARG HB2 H 1 1.573 0.030 . 2 . . . . 29 ARG HB2 . 11139 1 282 . 1 1 29 29 ARG HB3 H 1 1.490 0.030 . 2 . . . . 29 ARG HB3 . 11139 1 283 . 1 1 29 29 ARG HD2 H 1 2.808 0.030 . 1 . . . . 29 ARG HD2 . 11139 1 284 . 1 1 29 29 ARG HD3 H 1 2.808 0.030 . 1 . . . . 29 ARG HD3 . 11139 1 285 . 1 1 29 29 ARG HG2 H 1 1.104 0.030 . 2 . . . . 29 ARG HG2 . 11139 1 286 . 1 1 29 29 ARG HG3 H 1 0.296 0.030 . 2 . . . . 29 ARG HG3 . 11139 1 287 . 1 1 29 29 ARG C C 13 175.447 0.300 . 1 . . . . 29 ARG C . 11139 1 288 . 1 1 29 29 ARG CA C 13 56.037 0.300 . 1 . . . . 29 ARG CA . 11139 1 289 . 1 1 29 29 ARG CB C 13 26.233 0.300 . 1 . . . . 29 ARG CB . 11139 1 290 . 1 1 29 29 ARG CD C 13 41.024 0.300 . 1 . . . . 29 ARG CD . 11139 1 291 . 1 1 29 29 ARG CG C 13 22.879 0.300 . 1 . . . . 29 ARG CG . 11139 1 292 . 1 1 29 29 ARG N N 15 114.852 0.300 . 1 . . . . 29 ARG N . 11139 1 293 . 1 1 30 30 PHE H H 1 7.377 0.030 . 1 . . . . 30 PHE H . 11139 1 294 . 1 1 30 30 PHE HA H 1 4.244 0.030 . 1 . . . . 30 PHE HA . 11139 1 295 . 1 1 30 30 PHE HB2 H 1 3.091 0.030 . 2 . . . . 30 PHE HB2 . 11139 1 296 . 1 1 30 30 PHE HB3 H 1 2.676 0.030 . 2 . . . . 30 PHE HB3 . 11139 1 297 . 1 1 30 30 PHE HD1 H 1 7.141 0.030 . 1 . . . . 30 PHE HD1 . 11139 1 298 . 1 1 30 30 PHE HD2 H 1 7.141 0.030 . 1 . . . . 30 PHE HD2 . 11139 1 299 . 1 1 30 30 PHE HE1 H 1 7.280 0.030 . 1 . . . . 30 PHE HE1 . 11139 1 300 . 1 1 30 30 PHE HE2 H 1 7.280 0.030 . 1 . . . . 30 PHE HE2 . 11139 1 301 . 1 1 30 30 PHE HZ H 1 7.197 0.030 . 1 . . . . 30 PHE HZ . 11139 1 302 . 1 1 30 30 PHE C C 13 173.798 0.300 . 1 . . . . 30 PHE C . 11139 1 303 . 1 1 30 30 PHE CA C 13 57.523 0.300 . 1 . . . . 30 PHE CA . 11139 1 304 . 1 1 30 30 PHE CB C 13 36.293 0.300 . 1 . . . . 30 PHE CB . 11139 1 305 . 1 1 30 30 PHE CD1 C 13 128.725 0.300 . 1 . . . . 30 PHE CD1 . 11139 1 306 . 1 1 30 30 PHE CD2 C 13 128.725 0.300 . 1 . . . . 30 PHE CD2 . 11139 1 307 . 1 1 30 30 PHE CE1 C 13 129.482 0.300 . 1 . . . . 30 PHE CE1 . 11139 1 308 . 1 1 30 30 PHE CE2 C 13 129.482 0.300 . 1 . . . . 30 PHE CE2 . 11139 1 309 . 1 1 30 30 PHE CZ C 13 127.866 0.300 . 1 . . . . 30 PHE CZ . 11139 1 310 . 1 1 30 30 PHE N N 15 120.032 0.300 . 1 . . . . 30 PHE N . 11139 1 311 . 1 1 31 31 VAL H H 1 7.373 0.030 . 1 . . . . 31 VAL H . 11139 1 312 . 1 1 31 31 VAL HA H 1 3.569 0.030 . 1 . . . . 31 VAL HA . 11139 1 313 . 1 1 31 31 VAL HB H 1 2.102 0.030 . 1 . . . . 31 VAL HB . 11139 1 314 . 1 1 31 31 VAL HG11 H 1 0.700 0.030 . 1 . . . . 31 VAL HG1 . 11139 1 315 . 1 1 31 31 VAL HG12 H 1 0.700 0.030 . 1 . . . . 31 VAL HG1 . 11139 1 316 . 1 1 31 31 VAL HG13 H 1 0.700 0.030 . 1 . . . . 31 VAL HG1 . 11139 1 317 . 1 1 31 31 VAL HG21 H 1 0.830 0.030 . 1 . . . . 31 VAL HG2 . 11139 1 318 . 1 1 31 31 VAL HG22 H 1 0.830 0.030 . 1 . . . . 31 VAL HG2 . 11139 1 319 . 1 1 31 31 VAL HG23 H 1 0.830 0.030 . 1 . . . . 31 VAL HG2 . 11139 1 320 . 1 1 31 31 VAL C C 13 171.907 0.300 . 1 . . . . 31 VAL C . 11139 1 321 . 1 1 31 31 VAL CA C 13 62.116 0.300 . 1 . . . . 31 VAL CA . 11139 1 322 . 1 1 31 31 VAL CB C 13 29.202 0.300 . 1 . . . . 31 VAL CB . 11139 1 323 . 1 1 31 31 VAL CG1 C 13 20.159 0.300 . 2 . . . . 31 VAL CG1 . 11139 1 324 . 1 1 31 31 VAL CG2 C 13 20.245 0.300 . 2 . . . . 31 VAL CG2 . 11139 1 325 . 1 1 31 31 VAL N N 15 119.200 0.300 . 1 . . . . 31 VAL N . 11139 1 326 . 1 1 32 32 ILE H H 1 6.831 0.030 . 1 . . . . 32 ILE H . 11139 1 327 . 1 1 32 32 ILE HA H 1 3.666 0.030 . 1 . . . . 32 ILE HA . 11139 1 328 . 1 1 32 32 ILE HB H 1 1.626 0.030 . 1 . . . . 32 ILE HB . 11139 1 329 . 1 1 32 32 ILE HD11 H 1 0.781 0.030 . 1 . . . . 32 ILE HD1 . 11139 1 330 . 1 1 32 32 ILE HD12 H 1 0.781 0.030 . 1 . . . . 32 ILE HD1 . 11139 1 331 . 1 1 32 32 ILE HD13 H 1 0.781 0.030 . 1 . . . . 32 ILE HD1 . 11139 1 332 . 1 1 32 32 ILE HG12 H 1 0.888 0.030 . 2 . . . . 32 ILE HG12 . 11139 1 333 . 1 1 32 32 ILE HG13 H 1 1.658 0.030 . 2 . . . . 32 ILE HG13 . 11139 1 334 . 1 1 32 32 ILE HG21 H 1 1.016 0.030 . 1 . . . . 32 ILE HG2 . 11139 1 335 . 1 1 32 32 ILE HG22 H 1 1.016 0.030 . 1 . . . . 32 ILE HG2 . 11139 1 336 . 1 1 32 32 ILE HG23 H 1 1.016 0.030 . 1 . . . . 32 ILE HG2 . 11139 1 337 . 1 1 32 32 ILE C C 13 176.735 0.300 . 1 . . . . 32 ILE C . 11139 1 338 . 1 1 32 32 ILE CA C 13 62.404 0.300 . 1 . . . . 32 ILE CA . 11139 1 339 . 1 1 32 32 ILE CB C 13 37.608 0.300 . 1 . . . . 32 ILE CB . 11139 1 340 . 1 1 32 32 ILE CD1 C 13 11.386 0.300 . 1 . . . . 32 ILE CD1 . 11139 1 341 . 1 1 32 32 ILE CG1 C 13 27.012 0.300 . 1 . . . . 32 ILE CG1 . 11139 1 342 . 1 1 32 32 ILE CG2 C 13 15.642 0.300 . 1 . . . . 32 ILE CG2 . 11139 1 343 . 1 1 32 32 ILE N N 15 113.792 0.300 . 1 . . . . 32 ILE N . 11139 1 344 . 1 1 33 33 GLY H H 1 7.458 0.030 . 1 . . . . 33 GLY H . 11139 1 345 . 1 1 33 33 GLY HA2 H 1 4.061 0.030 . 2 . . . . 33 GLY HA2 . 11139 1 346 . 1 1 33 33 GLY HA3 H 1 3.729 0.030 . 2 . . . . 33 GLY HA3 . 11139 1 347 . 1 1 33 33 GLY C C 13 171.618 0.300 . 1 . . . . 33 GLY C . 11139 1 348 . 1 1 33 33 GLY CA C 13 41.392 0.300 . 1 . . . . 33 GLY CA . 11139 1 349 . 1 1 33 33 GLY N N 15 103.336 0.300 . 1 . . . . 33 GLY N . 11139 1 350 . 1 1 34 34 LYS H H 1 8.962 0.030 . 1 . . . . 34 LYS H . 11139 1 351 . 1 1 34 34 LYS HA H 1 3.948 0.030 . 1 . . . . 34 LYS HA . 11139 1 352 . 1 1 34 34 LYS HB2 H 1 1.702 0.030 . 1 . . . . 34 LYS HB2 . 11139 1 353 . 1 1 34 34 LYS HB3 H 1 1.702 0.030 . 1 . . . . 34 LYS HB3 . 11139 1 354 . 1 1 34 34 LYS HD2 H 1 1.585 0.030 . 1 . . . . 34 LYS HD2 . 11139 1 355 . 1 1 34 34 LYS HD3 H 1 1.585 0.030 . 1 . . . . 34 LYS HD3 . 11139 1 356 . 1 1 34 34 LYS HE2 H 1 2.890 0.030 . 1 . . . . 34 LYS HE2 . 11139 1 357 . 1 1 34 34 LYS HE3 H 1 2.890 0.030 . 1 . . . . 34 LYS HE3 . 11139 1 358 . 1 1 34 34 LYS HG2 H 1 1.252 0.030 . 2 . . . . 34 LYS HG2 . 11139 1 359 . 1 1 34 34 LYS HG3 H 1 1.356 0.030 . 2 . . . . 34 LYS HG3 . 11139 1 360 . 1 1 34 34 LYS C C 13 175.799 0.300 . 1 . . . . 34 LYS C . 11139 1 361 . 1 1 34 34 LYS CA C 13 56.019 0.300 . 1 . . . . 34 LYS CA . 11139 1 362 . 1 1 34 34 LYS CB C 13 29.721 0.300 . 1 . . . . 34 LYS CB . 11139 1 363 . 1 1 34 34 LYS CD C 13 27.042 0.300 . 1 . . . . 34 LYS CD . 11139 1 364 . 1 1 34 34 LYS CE C 13 39.592 0.300 . 1 . . . . 34 LYS CE . 11139 1 365 . 1 1 34 34 LYS CG C 13 22.213 0.300 . 1 . . . . 34 LYS CG . 11139 1 366 . 1 1 34 34 LYS N N 15 123.060 0.300 . 1 . . . . 34 LYS N . 11139 1 367 . 1 1 35 35 ASN HA H 1 4.525 0.030 . 1 . . . . 35 ASN HA . 11139 1 368 . 1 1 35 35 ASN HB2 H 1 2.982 0.030 . 2 . . . . 35 ASN HB2 . 11139 1 369 . 1 1 35 35 ASN HB3 H 1 2.725 0.030 . 2 . . . . 35 ASN HB3 . 11139 1 370 . 1 1 35 35 ASN HD21 H 1 6.860 0.030 . 2 . . . . 35 ASN HD21 . 11139 1 371 . 1 1 35 35 ASN HD22 H 1 7.678 0.030 . 2 . . . . 35 ASN HD22 . 11139 1 372 . 1 1 35 35 ASN C C 13 173.142 0.300 . 1 . . . . 35 ASN C . 11139 1 373 . 1 1 35 35 ASN CA C 13 51.439 0.300 . 1 . . . . 35 ASN CA . 11139 1 374 . 1 1 35 35 ASN CB C 13 36.276 0.300 . 1 . . . . 35 ASN CB . 11139 1 375 . 1 1 35 35 ASN ND2 N 15 113.414 0.300 . 1 . . . . 35 ASN ND2 . 11139 1 376 . 1 1 36 36 GLY H H 1 7.339 0.030 . 1 . . . . 36 GLY H . 11139 1 377 . 1 1 36 36 GLY HA2 H 1 3.781 0.030 . 2 . . . . 36 GLY HA2 . 11139 1 378 . 1 1 36 36 GLY HA3 H 1 4.017 0.030 . 2 . . . . 36 GLY HA3 . 11139 1 379 . 1 1 36 36 GLY C C 13 174.002 0.300 . 1 . . . . 36 GLY C . 11139 1 380 . 1 1 36 36 GLY CA C 13 43.992 0.300 . 1 . . . . 36 GLY CA . 11139 1 381 . 1 1 36 36 GLY N N 15 104.581 0.300 . 1 . . . . 36 GLY N . 11139 1 382 . 1 1 37 37 GLU HA H 1 3.961 0.030 . 1 . . . . 37 GLU HA . 11139 1 383 . 1 1 37 37 GLU HB2 H 1 2.019 0.030 . 1 . . . . 37 GLU HB2 . 11139 1 384 . 1 1 37 37 GLU HB3 H 1 2.019 0.030 . 1 . . . . 37 GLU HB3 . 11139 1 385 . 1 1 37 37 GLU HG2 H 1 2.328 0.030 . 1 . . . . 37 GLU HG2 . 11139 1 386 . 1 1 37 37 GLU HG3 H 1 2.328 0.030 . 1 . . . . 37 GLU HG3 . 11139 1 387 . 1 1 37 37 GLU C C 13 176.176 0.300 . 1 . . . . 37 GLU C . 11139 1 388 . 1 1 37 37 GLU CA C 13 56.868 0.300 . 1 . . . . 37 GLU CA . 11139 1 389 . 1 1 37 37 GLU CB C 13 26.753 0.300 . 1 . . . . 37 GLU CB . 11139 1 390 . 1 1 37 37 GLU CG C 13 33.911 0.300 . 1 . . . . 37 GLU CG . 11139 1 391 . 1 1 38 38 LYS H H 1 7.486 0.030 . 1 . . . . 38 LYS H . 11139 1 392 . 1 1 38 38 LYS HA H 1 4.208 0.030 . 1 . . . . 38 LYS HA . 11139 1 393 . 1 1 38 38 LYS HB2 H 1 1.594 0.030 . 2 . . . . 38 LYS HB2 . 11139 1 394 . 1 1 38 38 LYS HB3 H 1 1.538 0.030 . 2 . . . . 38 LYS HB3 . 11139 1 395 . 1 1 38 38 LYS HD2 H 1 1.727 0.030 . 2 . . . . 38 LYS HD2 . 11139 1 396 . 1 1 38 38 LYS HD3 H 1 1.670 0.030 . 2 . . . . 38 LYS HD3 . 11139 1 397 . 1 1 38 38 LYS HE2 H 1 2.812 0.030 . 2 . . . . 38 LYS HE2 . 11139 1 398 . 1 1 38 38 LYS HE3 H 1 2.917 0.030 . 2 . . . . 38 LYS HE3 . 11139 1 399 . 1 1 38 38 LYS HG2 H 1 1.407 0.030 . 2 . . . . 38 LYS HG2 . 11139 1 400 . 1 1 38 38 LYS HG3 H 1 1.525 0.030 . 2 . . . . 38 LYS HG3 . 11139 1 401 . 1 1 38 38 LYS C C 13 175.657 0.300 . 1 . . . . 38 LYS C . 11139 1 402 . 1 1 38 38 LYS CA C 13 55.431 0.300 . 1 . . . . 38 LYS CA . 11139 1 403 . 1 1 38 38 LYS CB C 13 28.196 0.300 . 1 . . . . 38 LYS CB . 11139 1 404 . 1 1 38 38 LYS CD C 13 25.847 0.300 . 1 . . . . 38 LYS CD . 11139 1 405 . 1 1 38 38 LYS CE C 13 40.007 0.300 . 1 . . . . 38 LYS CE . 11139 1 406 . 1 1 38 38 LYS CG C 13 21.868 0.300 . 1 . . . . 38 LYS CG . 11139 1 407 . 1 1 38 38 LYS N N 15 121.650 0.300 . 1 . . . . 38 LYS N . 11139 1 408 . 1 1 39 39 LEU H H 1 7.393 0.030 . 1 . . . . 39 LEU H . 11139 1 409 . 1 1 39 39 LEU HA H 1 3.867 0.030 . 1 . . . . 39 LEU HA . 11139 1 410 . 1 1 39 39 LEU HB2 H 1 1.782 0.030 . 2 . . . . 39 LEU HB2 . 11139 1 411 . 1 1 39 39 LEU HB3 H 1 1.607 0.030 . 2 . . . . 39 LEU HB3 . 11139 1 412 . 1 1 39 39 LEU HD11 H 1 0.782 0.030 . 1 . . . . 39 LEU HD1 . 11139 1 413 . 1 1 39 39 LEU HD12 H 1 0.782 0.030 . 1 . . . . 39 LEU HD1 . 11139 1 414 . 1 1 39 39 LEU HD13 H 1 0.782 0.030 . 1 . . . . 39 LEU HD1 . 11139 1 415 . 1 1 39 39 LEU HD21 H 1 0.842 0.030 . 1 . . . . 39 LEU HD2 . 11139 1 416 . 1 1 39 39 LEU HD22 H 1 0.842 0.030 . 1 . . . . 39 LEU HD2 . 11139 1 417 . 1 1 39 39 LEU HD23 H 1 0.842 0.030 . 1 . . . . 39 LEU HD2 . 11139 1 418 . 1 1 39 39 LEU HG H 1 1.434 0.030 . 1 . . . . 39 LEU HG . 11139 1 419 . 1 1 39 39 LEU C C 13 175.701 0.300 . 1 . . . . 39 LEU C . 11139 1 420 . 1 1 39 39 LEU CA C 13 55.790 0.300 . 1 . . . . 39 LEU CA . 11139 1 421 . 1 1 39 39 LEU CB C 13 40.590 0.300 . 1 . . . . 39 LEU CB . 11139 1 422 . 1 1 39 39 LEU CD1 C 13 22.135 0.300 . 2 . . . . 39 LEU CD1 . 11139 1 423 . 1 1 39 39 LEU CD2 C 13 23.603 0.300 . 2 . . . . 39 LEU CD2 . 11139 1 424 . 1 1 39 39 LEU CG C 13 24.936 0.300 . 1 . . . . 39 LEU CG . 11139 1 425 . 1 1 39 39 LEU N N 15 123.118 0.300 . 1 . . . . 39 LEU N . 11139 1 426 . 1 1 40 40 GLN H H 1 7.698 0.030 . 1 . . . . 40 GLN H . 11139 1 427 . 1 1 40 40 GLN HA H 1 4.072 0.030 . 1 . . . . 40 GLN HA . 11139 1 428 . 1 1 40 40 GLN HB2 H 1 2.022 0.030 . 1 . . . . 40 GLN HB2 . 11139 1 429 . 1 1 40 40 GLN HB3 H 1 2.022 0.030 . 1 . . . . 40 GLN HB3 . 11139 1 430 . 1 1 40 40 GLN HE21 H 1 6.781 0.030 . 2 . . . . 40 GLN HE21 . 11139 1 431 . 1 1 40 40 GLN HE22 H 1 7.392 0.030 . 2 . . . . 40 GLN HE22 . 11139 1 432 . 1 1 40 40 GLN HG2 H 1 2.328 0.030 . 2 . . . . 40 GLN HG2 . 11139 1 433 . 1 1 40 40 GLN HG3 H 1 2.417 0.030 . 2 . . . . 40 GLN HG3 . 11139 1 434 . 1 1 40 40 GLN C C 13 176.142 0.300 . 1 . . . . 40 GLN C . 11139 1 435 . 1 1 40 40 GLN CA C 13 56.603 0.300 . 1 . . . . 40 GLN CA . 11139 1 436 . 1 1 40 40 GLN CB C 13 26.507 0.300 . 1 . . . . 40 GLN CB . 11139 1 437 . 1 1 40 40 GLN CG C 13 31.836 0.300 . 1 . . . . 40 GLN CG . 11139 1 438 . 1 1 40 40 GLN N N 15 115.476 0.300 . 1 . . . . 40 GLN N . 11139 1 439 . 1 1 40 40 GLN NE2 N 15 111.220 0.300 . 1 . . . . 40 GLN NE2 . 11139 1 440 . 1 1 41 41 ASP H H 1 7.588 0.030 . 1 . . . . 41 ASP H . 11139 1 441 . 1 1 41 41 ASP HA H 1 4.368 0.030 . 1 . . . . 41 ASP HA . 11139 1 442 . 1 1 41 41 ASP HB2 H 1 2.692 0.030 . 2 . . . . 41 ASP HB2 . 11139 1 443 . 1 1 41 41 ASP HB3 H 1 2.768 0.030 . 2 . . . . 41 ASP HB3 . 11139 1 444 . 1 1 41 41 ASP C C 13 175.643 0.300 . 1 . . . . 41 ASP C . 11139 1 445 . 1 1 41 41 ASP CA C 13 55.272 0.300 . 1 . . . . 41 ASP CA . 11139 1 446 . 1 1 41 41 ASP CB C 13 39.675 0.300 . 1 . . . . 41 ASP CB . 11139 1 447 . 1 1 41 41 ASP N N 15 118.932 0.300 . 1 . . . . 41 ASP N . 11139 1 448 . 1 1 42 42 LEU H H 1 8.308 0.030 . 1 . . . . 42 LEU H . 11139 1 449 . 1 1 42 42 LEU HA H 1 3.911 0.030 . 1 . . . . 42 LEU HA . 11139 1 450 . 1 1 42 42 LEU HB2 H 1 1.762 0.030 . 2 . . . . 42 LEU HB2 . 11139 1 451 . 1 1 42 42 LEU HB3 H 1 1.294 0.030 . 2 . . . . 42 LEU HB3 . 11139 1 452 . 1 1 42 42 LEU HD11 H 1 0.735 0.030 . 1 . . . . 42 LEU HD1 . 11139 1 453 . 1 1 42 42 LEU HD12 H 1 0.735 0.030 . 1 . . . . 42 LEU HD1 . 11139 1 454 . 1 1 42 42 LEU HD13 H 1 0.735 0.030 . 1 . . . . 42 LEU HD1 . 11139 1 455 . 1 1 42 42 LEU HD21 H 1 0.682 0.030 . 1 . . . . 42 LEU HD2 . 11139 1 456 . 1 1 42 42 LEU HD22 H 1 0.682 0.030 . 1 . . . . 42 LEU HD2 . 11139 1 457 . 1 1 42 42 LEU HD23 H 1 0.682 0.030 . 1 . . . . 42 LEU HD2 . 11139 1 458 . 1 1 42 42 LEU HG H 1 1.561 0.030 . 1 . . . . 42 LEU HG . 11139 1 459 . 1 1 42 42 LEU C C 13 178.632 0.300 . 1 . . . . 42 LEU C . 11139 1 460 . 1 1 42 42 LEU CA C 13 55.895 0.300 . 1 . . . . 42 LEU CA . 11139 1 461 . 1 1 42 42 LEU CB C 13 40.268 0.300 . 1 . . . . 42 LEU CB . 11139 1 462 . 1 1 42 42 LEU CD1 C 13 22.902 0.300 . 2 . . . . 42 LEU CD1 . 11139 1 463 . 1 1 42 42 LEU CD2 C 13 22.296 0.300 . 2 . . . . 42 LEU CD2 . 11139 1 464 . 1 1 42 42 LEU CG C 13 24.610 0.300 . 1 . . . . 42 LEU CG . 11139 1 465 . 1 1 42 42 LEU N N 15 119.567 0.300 . 1 . . . . 42 LEU N . 11139 1 466 . 1 1 43 43 GLU H H 1 8.607 0.030 . 1 . . . . 43 GLU H . 11139 1 467 . 1 1 43 43 GLU HA H 1 3.708 0.030 . 1 . . . . 43 GLU HA . 11139 1 468 . 1 1 43 43 GLU HB2 H 1 2.093 0.030 . 1 . . . . 43 GLU HB2 . 11139 1 469 . 1 1 43 43 GLU HB3 H 1 2.093 0.030 . 1 . . . . 43 GLU HB3 . 11139 1 470 . 1 1 43 43 GLU HG2 H 1 1.894 0.030 . 2 . . . . 43 GLU HG2 . 11139 1 471 . 1 1 43 43 GLU HG3 H 1 2.554 0.030 . 2 . . . . 43 GLU HG3 . 11139 1 472 . 1 1 43 43 GLU C C 13 177.314 0.300 . 1 . . . . 43 GLU C . 11139 1 473 . 1 1 43 43 GLU CA C 13 58.301 0.300 . 1 . . . . 43 GLU CA . 11139 1 474 . 1 1 43 43 GLU CB C 13 28.051 0.300 . 1 . . . . 43 GLU CB . 11139 1 475 . 1 1 43 43 GLU CG C 13 35.881 0.300 . 1 . . . . 43 GLU CG . 11139 1 476 . 1 1 43 43 GLU N N 15 121.416 0.300 . 1 . . . . 43 GLU N . 11139 1 477 . 1 1 44 44 LEU H H 1 7.938 0.030 . 1 . . . . 44 LEU H . 11139 1 478 . 1 1 44 44 LEU HA H 1 4.098 0.030 . 1 . . . . 44 LEU HA . 11139 1 479 . 1 1 44 44 LEU HB2 H 1 1.803 0.030 . 2 . . . . 44 LEU HB2 . 11139 1 480 . 1 1 44 44 LEU HB3 H 1 1.692 0.030 . 2 . . . . 44 LEU HB3 . 11139 1 481 . 1 1 44 44 LEU HD11 H 1 0.851 0.030 . 1 . . . . 44 LEU HD1 . 11139 1 482 . 1 1 44 44 LEU HD12 H 1 0.851 0.030 . 1 . . . . 44 LEU HD1 . 11139 1 483 . 1 1 44 44 LEU HD13 H 1 0.851 0.030 . 1 . . . . 44 LEU HD1 . 11139 1 484 . 1 1 44 44 LEU HD21 H 1 0.850 0.030 . 1 . . . . 44 LEU HD2 . 11139 1 485 . 1 1 44 44 LEU HD22 H 1 0.850 0.030 . 1 . . . . 44 LEU HD2 . 11139 1 486 . 1 1 44 44 LEU HD23 H 1 0.850 0.030 . 1 . . . . 44 LEU HD2 . 11139 1 487 . 1 1 44 44 LEU HG H 1 1.640 0.030 . 1 . . . . 44 LEU HG . 11139 1 488 . 1 1 44 44 LEU C C 13 178.275 0.300 . 1 . . . . 44 LEU C . 11139 1 489 . 1 1 44 44 LEU CA C 13 55.524 0.300 . 1 . . . . 44 LEU CA . 11139 1 490 . 1 1 44 44 LEU CB C 13 39.733 0.300 . 1 . . . . 44 LEU CB . 11139 1 491 . 1 1 44 44 LEU CD1 C 13 22.143 0.300 . 2 . . . . 44 LEU CD1 . 11139 1 492 . 1 1 44 44 LEU CD2 C 13 22.008 0.300 . 2 . . . . 44 LEU CD2 . 11139 1 493 . 1 1 44 44 LEU CG C 13 24.775 0.300 . 1 . . . . 44 LEU CG . 11139 1 494 . 1 1 44 44 LEU N N 15 118.476 0.300 . 1 . . . . 44 LEU N . 11139 1 495 . 1 1 45 45 LYS H H 1 8.421 0.030 . 1 . . . . 45 LYS H . 11139 1 496 . 1 1 45 45 LYS HA H 1 4.019 0.030 . 1 . . . . 45 LYS HA . 11139 1 497 . 1 1 45 45 LYS HB2 H 1 1.914 0.030 . 2 . . . . 45 LYS HB2 . 11139 1 498 . 1 1 45 45 LYS HB3 H 1 1.727 0.030 . 2 . . . . 45 LYS HB3 . 11139 1 499 . 1 1 45 45 LYS HD2 H 1 1.504 0.030 . 1 . . . . 45 LYS HD2 . 11139 1 500 . 1 1 45 45 LYS HD3 H 1 1.504 0.030 . 1 . . . . 45 LYS HD3 . 11139 1 501 . 1 1 45 45 LYS HE2 H 1 2.818 0.030 . 1 . . . . 45 LYS HE2 . 11139 1 502 . 1 1 45 45 LYS HE3 H 1 2.818 0.030 . 1 . . . . 45 LYS HE3 . 11139 1 503 . 1 1 45 45 LYS HG2 H 1 1.432 0.030 . 1 . . . . 45 LYS HG2 . 11139 1 504 . 1 1 45 45 LYS HG3 H 1 1.432 0.030 . 1 . . . . 45 LYS HG3 . 11139 1 505 . 1 1 45 45 LYS C C 13 176.043 0.300 . 1 . . . . 45 LYS C . 11139 1 506 . 1 1 45 45 LYS CA C 13 56.514 0.300 . 1 . . . . 45 LYS CA . 11139 1 507 . 1 1 45 45 LYS CB C 13 30.747 0.300 . 1 . . . . 45 LYS CB . 11139 1 508 . 1 1 45 45 LYS CD C 13 26.798 0.300 . 1 . . . . 45 LYS CD . 11139 1 509 . 1 1 45 45 LYS CE C 13 39.695 0.300 . 1 . . . . 45 LYS CE . 11139 1 510 . 1 1 45 45 LYS CG C 13 23.279 0.300 . 1 . . . . 45 LYS CG . 11139 1 511 . 1 1 45 45 LYS N N 15 117.159 0.300 . 1 . . . . 45 LYS N . 11139 1 512 . 1 1 46 46 THR H H 1 7.496 0.030 . 1 . . . . 46 THR H . 11139 1 513 . 1 1 46 46 THR HA H 1 4.190 0.030 . 1 . . . . 46 THR HA . 11139 1 514 . 1 1 46 46 THR HB H 1 4.425 0.030 . 1 . . . . 46 THR HB . 11139 1 515 . 1 1 46 46 THR HG21 H 1 0.979 0.030 . 1 . . . . 46 THR HG2 . 11139 1 516 . 1 1 46 46 THR HG22 H 1 0.979 0.030 . 1 . . . . 46 THR HG2 . 11139 1 517 . 1 1 46 46 THR HG23 H 1 0.979 0.030 . 1 . . . . 46 THR HG2 . 11139 1 518 . 1 1 46 46 THR C C 13 171.374 0.300 . 1 . . . . 46 THR C . 11139 1 519 . 1 1 46 46 THR CA C 13 59.680 0.300 . 1 . . . . 46 THR CA . 11139 1 520 . 1 1 46 46 THR CB C 13 68.002 0.300 . 1 . . . . 46 THR CB . 11139 1 521 . 1 1 46 46 THR CG2 C 13 19.473 0.300 . 1 . . . . 46 THR CG2 . 11139 1 522 . 1 1 46 46 THR N N 15 105.041 0.300 . 1 . . . . 46 THR N . 11139 1 523 . 1 1 47 47 ALA H H 1 7.969 0.030 . 1 . . . . 47 ALA H . 11139 1 524 . 1 1 47 47 ALA HA H 1 4.122 0.030 . 1 . . . . 47 ALA HA . 11139 1 525 . 1 1 47 47 ALA HB1 H 1 1.396 0.030 . 1 . . . . 47 ALA HB . 11139 1 526 . 1 1 47 47 ALA HB2 H 1 1.396 0.030 . 1 . . . . 47 ALA HB . 11139 1 527 . 1 1 47 47 ALA HB3 H 1 1.396 0.030 . 1 . . . . 47 ALA HB . 11139 1 528 . 1 1 47 47 ALA C C 13 174.748 0.300 . 1 . . . . 47 ALA C . 11139 1 529 . 1 1 47 47 ALA CA C 13 50.554 0.300 . 1 . . . . 47 ALA CA . 11139 1 530 . 1 1 47 47 ALA CB C 13 14.378 0.300 . 1 . . . . 47 ALA CB . 11139 1 531 . 1 1 47 47 ALA N N 15 124.854 0.300 . 1 . . . . 47 ALA N . 11139 1 532 . 1 1 48 48 THR H H 1 7.673 0.030 . 1 . . . . 48 THR H . 11139 1 533 . 1 1 48 48 THR HA H 1 4.925 0.030 . 1 . . . . 48 THR HA . 11139 1 534 . 1 1 48 48 THR HB H 1 3.719 0.030 . 1 . . . . 48 THR HB . 11139 1 535 . 1 1 48 48 THR HG21 H 1 0.721 0.030 . 1 . . . . 48 THR HG2 . 11139 1 536 . 1 1 48 48 THR HG22 H 1 0.721 0.030 . 1 . . . . 48 THR HG2 . 11139 1 537 . 1 1 48 48 THR HG23 H 1 0.721 0.030 . 1 . . . . 48 THR HG2 . 11139 1 538 . 1 1 48 48 THR C C 13 172.272 0.300 . 1 . . . . 48 THR C . 11139 1 539 . 1 1 48 48 THR CA C 13 57.470 0.300 . 1 . . . . 48 THR CA . 11139 1 540 . 1 1 48 48 THR CB C 13 70.457 0.300 . 1 . . . . 48 THR CB . 11139 1 541 . 1 1 48 48 THR CG2 C 13 19.347 0.300 . 1 . . . . 48 THR CG2 . 11139 1 542 . 1 1 48 48 THR N N 15 108.169 0.300 . 1 . . . . 48 THR N . 11139 1 543 . 1 1 49 49 LYS H H 1 8.227 0.030 . 1 . . . . 49 LYS H . 11139 1 544 . 1 1 49 49 LYS HA H 1 4.707 0.030 . 1 . . . . 49 LYS HA . 11139 1 545 . 1 1 49 49 LYS HB2 H 1 1.541 0.030 . 2 . . . . 49 LYS HB2 . 11139 1 546 . 1 1 49 49 LYS HB3 H 1 1.497 0.030 . 2 . . . . 49 LYS HB3 . 11139 1 547 . 1 1 49 49 LYS HD2 H 1 1.573 0.030 . 1 . . . . 49 LYS HD2 . 11139 1 548 . 1 1 49 49 LYS HD3 H 1 1.573 0.030 . 1 . . . . 49 LYS HD3 . 11139 1 549 . 1 1 49 49 LYS HE2 H 1 2.813 0.030 . 2 . . . . 49 LYS HE2 . 11139 1 550 . 1 1 49 49 LYS HE3 H 1 2.893 0.030 . 2 . . . . 49 LYS HE3 . 11139 1 551 . 1 1 49 49 LYS HG2 H 1 1.246 0.030 . 1 . . . . 49 LYS HG2 . 11139 1 552 . 1 1 49 49 LYS HG3 H 1 1.246 0.030 . 1 . . . . 49 LYS HG3 . 11139 1 553 . 1 1 49 49 LYS C C 13 174.052 0.300 . 1 . . . . 49 LYS C . 11139 1 554 . 1 1 49 49 LYS CA C 13 51.236 0.300 . 1 . . . . 49 LYS CA . 11139 1 555 . 1 1 49 49 LYS CB C 13 31.284 0.300 . 1 . . . . 49 LYS CB . 11139 1 556 . 1 1 49 49 LYS CD C 13 25.682 0.300 . 1 . . . . 49 LYS CD . 11139 1 557 . 1 1 49 49 LYS CE C 13 39.613 0.300 . 1 . . . . 49 LYS CE . 11139 1 558 . 1 1 49 49 LYS CG C 13 21.708 0.300 . 1 . . . . 49 LYS CG . 11139 1 559 . 1 1 49 49 LYS N N 15 116.309 0.300 . 1 . . . . 49 LYS N . 11139 1 560 . 1 1 50 50 ILE H H 1 10.100 0.030 . 1 . . . . 50 ILE H . 11139 1 561 . 1 1 50 50 ILE HA H 1 4.511 0.030 . 1 . . . . 50 ILE HA . 11139 1 562 . 1 1 50 50 ILE HB H 1 1.529 0.030 . 1 . . . . 50 ILE HB . 11139 1 563 . 1 1 50 50 ILE HD11 H 1 0.473 0.030 . 1 . . . . 50 ILE HD1 . 11139 1 564 . 1 1 50 50 ILE HD12 H 1 0.473 0.030 . 1 . . . . 50 ILE HD1 . 11139 1 565 . 1 1 50 50 ILE HD13 H 1 0.473 0.030 . 1 . . . . 50 ILE HD1 . 11139 1 566 . 1 1 50 50 ILE HG12 H 1 1.533 0.030 . 2 . . . . 50 ILE HG12 . 11139 1 567 . 1 1 50 50 ILE HG13 H 1 0.526 0.030 . 2 . . . . 50 ILE HG13 . 11139 1 568 . 1 1 50 50 ILE HG21 H 1 0.386 0.030 . 1 . . . . 50 ILE HG2 . 11139 1 569 . 1 1 50 50 ILE HG22 H 1 0.386 0.030 . 1 . . . . 50 ILE HG2 . 11139 1 570 . 1 1 50 50 ILE HG23 H 1 0.386 0.030 . 1 . . . . 50 ILE HG2 . 11139 1 571 . 1 1 50 50 ILE C C 13 172.101 0.300 . 1 . . . . 50 ILE C . 11139 1 572 . 1 1 50 50 ILE CA C 13 58.664 0.300 . 1 . . . . 50 ILE CA . 11139 1 573 . 1 1 50 50 ILE CB C 13 36.937 0.300 . 1 . . . . 50 ILE CB . 11139 1 574 . 1 1 50 50 ILE CD1 C 13 11.349 0.300 . 1 . . . . 50 ILE CD1 . 11139 1 575 . 1 1 50 50 ILE CG1 C 13 25.970 0.300 . 1 . . . . 50 ILE CG1 . 11139 1 576 . 1 1 50 50 ILE CG2 C 13 14.837 0.300 . 1 . . . . 50 ILE CG2 . 11139 1 577 . 1 1 50 50 ILE N N 15 128.869 0.300 . 1 . . . . 50 ILE N . 11139 1 578 . 1 1 51 51 GLN H H 1 9.267 0.030 . 1 . . . . 51 GLN H . 11139 1 579 . 1 1 51 51 GLN HA H 1 4.454 0.030 . 1 . . . . 51 GLN HA . 11139 1 580 . 1 1 51 51 GLN HB2 H 1 1.961 0.030 . 2 . . . . 51 GLN HB2 . 11139 1 581 . 1 1 51 51 GLN HB3 H 1 1.796 0.030 . 2 . . . . 51 GLN HB3 . 11139 1 582 . 1 1 51 51 GLN HE21 H 1 6.747 0.030 . 2 . . . . 51 GLN HE21 . 11139 1 583 . 1 1 51 51 GLN HE22 H 1 7.438 0.030 . 2 . . . . 51 GLN HE22 . 11139 1 584 . 1 1 51 51 GLN HG2 H 1 2.059 0.030 . 1 . . . . 51 GLN HG2 . 11139 1 585 . 1 1 51 51 GLN HG3 H 1 2.059 0.030 . 1 . . . . 51 GLN HG3 . 11139 1 586 . 1 1 51 51 GLN C C 13 171.997 0.300 . 1 . . . . 51 GLN C . 11139 1 587 . 1 1 51 51 GLN CA C 13 52.376 0.300 . 1 . . . . 51 GLN CA . 11139 1 588 . 1 1 51 51 GLN CB C 13 28.451 0.300 . 1 . . . . 51 GLN CB . 11139 1 589 . 1 1 51 51 GLN CG C 13 31.667 0.300 . 1 . . . . 51 GLN CG . 11139 1 590 . 1 1 51 51 GLN N N 15 127.145 0.300 . 1 . . . . 51 GLN N . 11139 1 591 . 1 1 51 51 GLN NE2 N 15 111.748 0.300 . 1 . . . . 51 GLN NE2 . 11139 1 592 . 1 1 52 52 ILE H H 1 8.681 0.030 . 1 . . . . 52 ILE H . 11139 1 593 . 1 1 52 52 ILE HA H 1 4.390 0.030 . 1 . . . . 52 ILE HA . 11139 1 594 . 1 1 52 52 ILE HB H 1 1.710 0.030 . 1 . . . . 52 ILE HB . 11139 1 595 . 1 1 52 52 ILE HD11 H 1 0.567 0.030 . 1 . . . . 52 ILE HD1 . 11139 1 596 . 1 1 52 52 ILE HD12 H 1 0.567 0.030 . 1 . . . . 52 ILE HD1 . 11139 1 597 . 1 1 52 52 ILE HD13 H 1 0.567 0.030 . 1 . . . . 52 ILE HD1 . 11139 1 598 . 1 1 52 52 ILE HG12 H 1 1.329 0.030 . 2 . . . . 52 ILE HG12 . 11139 1 599 . 1 1 52 52 ILE HG13 H 1 0.817 0.030 . 2 . . . . 52 ILE HG13 . 11139 1 600 . 1 1 52 52 ILE HG21 H 1 0.915 0.030 . 1 . . . . 52 ILE HG2 . 11139 1 601 . 1 1 52 52 ILE HG22 H 1 0.915 0.030 . 1 . . . . 52 ILE HG2 . 11139 1 602 . 1 1 52 52 ILE HG23 H 1 0.915 0.030 . 1 . . . . 52 ILE HG2 . 11139 1 603 . 1 1 52 52 ILE C C 13 171.840 0.300 . 1 . . . . 52 ILE C . 11139 1 604 . 1 1 52 52 ILE CA C 13 55.276 0.300 . 1 . . . . 52 ILE CA . 11139 1 605 . 1 1 52 52 ILE CB C 13 36.771 0.300 . 1 . . . . 52 ILE CB . 11139 1 606 . 1 1 52 52 ILE CD1 C 13 11.331 0.300 . 1 . . . . 52 ILE CD1 . 11139 1 607 . 1 1 52 52 ILE CG1 C 13 25.905 0.300 . 1 . . . . 52 ILE CG1 . 11139 1 608 . 1 1 52 52 ILE CG2 C 13 14.468 0.300 . 1 . . . . 52 ILE CG2 . 11139 1 609 . 1 1 52 52 ILE N N 15 129.000 0.300 . 1 . . . . 52 ILE N . 11139 1 610 . 1 1 53 53 PRO HA H 1 4.505 0.030 . 1 . . . . 53 PRO HA . 11139 1 611 . 1 1 53 53 PRO HB2 H 1 2.347 0.030 . 2 . . . . 53 PRO HB2 . 11139 1 612 . 1 1 53 53 PRO HB3 H 1 1.671 0.030 . 2 . . . . 53 PRO HB3 . 11139 1 613 . 1 1 53 53 PRO HD2 H 1 3.562 0.030 . 2 . . . . 53 PRO HD2 . 11139 1 614 . 1 1 53 53 PRO HD3 H 1 4.015 0.030 . 2 . . . . 53 PRO HD3 . 11139 1 615 . 1 1 53 53 PRO HG2 H 1 1.919 0.030 . 2 . . . . 53 PRO HG2 . 11139 1 616 . 1 1 53 53 PRO HG3 H 1 1.997 0.030 . 2 . . . . 53 PRO HG3 . 11139 1 617 . 1 1 53 53 PRO C C 13 174.622 0.300 . 1 . . . . 53 PRO C . 11139 1 618 . 1 1 53 53 PRO CA C 13 60.459 0.300 . 1 . . . . 53 PRO CA . 11139 1 619 . 1 1 53 53 PRO CB C 13 30.100 0.300 . 1 . . . . 53 PRO CB . 11139 1 620 . 1 1 53 53 PRO CD C 13 49.675 0.300 . 1 . . . . 53 PRO CD . 11139 1 621 . 1 1 53 53 PRO CG C 13 25.889 0.300 . 1 . . . . 53 PRO CG . 11139 1 622 . 1 1 54 54 ARG H H 1 9.152 0.030 . 1 . . . . 54 ARG H . 11139 1 623 . 1 1 54 54 ARG HA H 1 4.341 0.030 . 1 . . . . 54 ARG HA . 11139 1 624 . 1 1 54 54 ARG HB2 H 1 1.625 0.030 . 2 . . . . 54 ARG HB2 . 11139 1 625 . 1 1 54 54 ARG HB3 H 1 1.994 0.030 . 2 . . . . 54 ARG HB3 . 11139 1 626 . 1 1 54 54 ARG HD2 H 1 3.238 0.030 . 1 . . . . 54 ARG HD2 . 11139 1 627 . 1 1 54 54 ARG HD3 H 1 3.238 0.030 . 1 . . . . 54 ARG HD3 . 11139 1 628 . 1 1 54 54 ARG HG2 H 1 1.742 0.030 . 2 . . . . 54 ARG HG2 . 11139 1 629 . 1 1 54 54 ARG HG3 H 1 1.831 0.030 . 2 . . . . 54 ARG HG3 . 11139 1 630 . 1 1 54 54 ARG C C 13 174.026 0.300 . 1 . . . . 54 ARG C . 11139 1 631 . 1 1 54 54 ARG CA C 13 53.144 0.300 . 1 . . . . 54 ARG CA . 11139 1 632 . 1 1 54 54 ARG CB C 13 27.578 0.300 . 1 . . . . 54 ARG CB . 11139 1 633 . 1 1 54 54 ARG CD C 13 40.831 0.300 . 1 . . . . 54 ARG CD . 11139 1 634 . 1 1 54 54 ARG CG C 13 25.424 0.300 . 1 . . . . 54 ARG CG . 11139 1 635 . 1 1 54 54 ARG N N 15 122.878 0.300 . 1 . . . . 54 ARG N . 11139 1 636 . 1 1 55 55 PRO HA H 1 4.051 0.030 . 1 . . . . 55 PRO HA . 11139 1 637 . 1 1 55 55 PRO HB2 H 1 2.277 0.030 . 2 . . . . 55 PRO HB2 . 11139 1 638 . 1 1 55 55 PRO HB3 H 1 1.827 0.030 . 2 . . . . 55 PRO HB3 . 11139 1 639 . 1 1 55 55 PRO HD2 H 1 3.625 0.030 . 2 . . . . 55 PRO HD2 . 11139 1 640 . 1 1 55 55 PRO HD3 H 1 3.849 0.030 . 2 . . . . 55 PRO HD3 . 11139 1 641 . 1 1 55 55 PRO HG2 H 1 1.996 0.030 . 1 . . . . 55 PRO HG2 . 11139 1 642 . 1 1 55 55 PRO HG3 H 1 1.996 0.030 . 1 . . . . 55 PRO HG3 . 11139 1 643 . 1 1 55 55 PRO C C 13 174.706 0.300 . 1 . . . . 55 PRO C . 11139 1 644 . 1 1 55 55 PRO CA C 13 63.236 0.300 . 1 . . . . 55 PRO CA . 11139 1 645 . 1 1 55 55 PRO CB C 13 29.514 0.300 . 1 . . . . 55 PRO CB . 11139 1 646 . 1 1 55 55 PRO CD C 13 48.021 0.300 . 1 . . . . 55 PRO CD . 11139 1 647 . 1 1 55 55 PRO CG C 13 25.390 0.300 . 1 . . . . 55 PRO CG . 11139 1 648 . 1 1 56 56 ASP H H 1 7.951 0.030 . 1 . . . . 56 ASP H . 11139 1 649 . 1 1 56 56 ASP HA H 1 4.288 0.030 . 1 . . . . 56 ASP HA . 11139 1 650 . 1 1 56 56 ASP HB2 H 1 2.699 0.030 . 2 . . . . 56 ASP HB2 . 11139 1 651 . 1 1 56 56 ASP HB3 H 1 2.471 0.030 . 2 . . . . 56 ASP HB3 . 11139 1 652 . 1 1 56 56 ASP C C 13 172.721 0.300 . 1 . . . . 56 ASP C . 11139 1 653 . 1 1 56 56 ASP CA C 13 50.902 0.300 . 1 . . . . 56 ASP CA . 11139 1 654 . 1 1 56 56 ASP CB C 13 37.058 0.300 . 1 . . . . 56 ASP CB . 11139 1 655 . 1 1 56 56 ASP N N 15 110.680 0.300 . 1 . . . . 56 ASP N . 11139 1 656 . 1 1 57 57 ASP H H 1 7.340 0.030 . 1 . . . . 57 ASP H . 11139 1 657 . 1 1 57 57 ASP HA H 1 4.758 0.030 . 1 . . . . 57 ASP HA . 11139 1 658 . 1 1 57 57 ASP HB2 H 1 2.422 0.030 . 2 . . . . 57 ASP HB2 . 11139 1 659 . 1 1 57 57 ASP HB3 H 1 3.072 0.030 . 2 . . . . 57 ASP HB3 . 11139 1 660 . 1 1 57 57 ASP C C 13 172.520 0.300 . 1 . . . . 57 ASP C . 11139 1 661 . 1 1 57 57 ASP CA C 13 47.939 0.300 . 1 . . . . 57 ASP CA . 11139 1 662 . 1 1 57 57 ASP CB C 13 40.602 0.300 . 1 . . . . 57 ASP CB . 11139 1 663 . 1 1 57 57 ASP N N 15 123.889 0.300 . 1 . . . . 57 ASP N . 11139 1 664 . 1 1 58 58 PRO HA H 1 4.207 0.030 . 1 . . . . 58 PRO HA . 11139 1 665 . 1 1 58 58 PRO HB2 H 1 2.135 0.030 . 2 . . . . 58 PRO HB2 . 11139 1 666 . 1 1 58 58 PRO HB3 H 1 1.876 0.030 . 2 . . . . 58 PRO HB3 . 11139 1 667 . 1 1 58 58 PRO HD2 H 1 3.677 0.030 . 2 . . . . 58 PRO HD2 . 11139 1 668 . 1 1 58 58 PRO HD3 H 1 3.799 0.030 . 2 . . . . 58 PRO HD3 . 11139 1 669 . 1 1 58 58 PRO HG2 H 1 1.825 0.030 . 2 . . . . 58 PRO HG2 . 11139 1 670 . 1 1 58 58 PRO HG3 H 1 1.876 0.030 . 2 . . . . 58 PRO HG3 . 11139 1 671 . 1 1 58 58 PRO C C 13 174.819 0.300 . 1 . . . . 58 PRO C . 11139 1 672 . 1 1 58 58 PRO CA C 13 61.188 0.300 . 1 . . . . 58 PRO CA . 11139 1 673 . 1 1 58 58 PRO CB C 13 29.721 0.300 . 1 . . . . 58 PRO CB . 11139 1 674 . 1 1 58 58 PRO CD C 13 48.189 0.300 . 1 . . . . 58 PRO CD . 11139 1 675 . 1 1 58 58 PRO CG C 13 24.503 0.300 . 1 . . . . 58 PRO CG . 11139 1 676 . 1 1 59 59 SER H H 1 8.213 0.030 . 1 . . . . 59 SER H . 11139 1 677 . 1 1 59 59 SER HA H 1 4.095 0.030 . 1 . . . . 59 SER HA . 11139 1 678 . 1 1 59 59 SER HB2 H 1 3.908 0.030 . 2 . . . . 59 SER HB2 . 11139 1 679 . 1 1 59 59 SER HB3 H 1 3.468 0.030 . 2 . . . . 59 SER HB3 . 11139 1 680 . 1 1 59 59 SER C C 13 172.784 0.300 . 1 . . . . 59 SER C . 11139 1 681 . 1 1 59 59 SER CA C 13 56.532 0.300 . 1 . . . . 59 SER CA . 11139 1 682 . 1 1 59 59 SER CB C 13 62.019 0.300 . 1 . . . . 59 SER CB . 11139 1 683 . 1 1 59 59 SER N N 15 113.092 0.300 . 1 . . . . 59 SER N . 11139 1 684 . 1 1 60 60 ASN H H 1 8.287 0.030 . 1 . . . . 60 ASN H . 11139 1 685 . 1 1 60 60 ASN HA H 1 4.727 0.030 . 1 . . . . 60 ASN HA . 11139 1 686 . 1 1 60 60 ASN HB2 H 1 3.748 0.030 . 2 . . . . 60 ASN HB2 . 11139 1 687 . 1 1 60 60 ASN HB3 H 1 2.553 0.030 . 2 . . . . 60 ASN HB3 . 11139 1 688 . 1 1 60 60 ASN HD21 H 1 6.763 0.030 . 2 . . . . 60 ASN HD21 . 11139 1 689 . 1 1 60 60 ASN HD22 H 1 6.657 0.030 . 2 . . . . 60 ASN HD22 . 11139 1 690 . 1 1 60 60 ASN C C 13 172.994 0.300 . 1 . . . . 60 ASN C . 11139 1 691 . 1 1 60 60 ASN CA C 13 49.669 0.300 . 1 . . . . 60 ASN CA . 11139 1 692 . 1 1 60 60 ASN CB C 13 35.497 0.300 . 1 . . . . 60 ASN CB . 11139 1 693 . 1 1 60 60 ASN N N 15 124.084 0.300 . 1 . . . . 60 ASN N . 11139 1 694 . 1 1 60 60 ASN ND2 N 15 109.188 0.300 . 1 . . . . 60 ASN ND2 . 11139 1 695 . 1 1 61 61 GLN H H 1 8.196 0.030 . 1 . . . . 61 GLN H . 11139 1 696 . 1 1 61 61 GLN HA H 1 4.328 0.030 . 1 . . . . 61 GLN HA . 11139 1 697 . 1 1 61 61 GLN HB2 H 1 1.777 0.030 . 2 . . . . 61 GLN HB2 . 11139 1 698 . 1 1 61 61 GLN HB3 H 1 1.609 0.030 . 2 . . . . 61 GLN HB3 . 11139 1 699 . 1 1 61 61 GLN HE21 H 1 6.677 0.030 . 2 . . . . 61 GLN HE21 . 11139 1 700 . 1 1 61 61 GLN HE22 H 1 7.421 0.030 . 2 . . . . 61 GLN HE22 . 11139 1 701 . 1 1 61 61 GLN HG2 H 1 2.388 0.030 . 2 . . . . 61 GLN HG2 . 11139 1 702 . 1 1 61 61 GLN HG3 H 1 1.981 0.030 . 2 . . . . 61 GLN HG3 . 11139 1 703 . 1 1 61 61 GLN C C 13 172.473 0.300 . 1 . . . . 61 GLN C . 11139 1 704 . 1 1 61 61 GLN CA C 13 53.958 0.300 . 1 . . . . 61 GLN CA . 11139 1 705 . 1 1 61 61 GLN CB C 13 27.642 0.300 . 1 . . . . 61 GLN CB . 11139 1 706 . 1 1 61 61 GLN CG C 13 31.864 0.300 . 1 . . . . 61 GLN CG . 11139 1 707 . 1 1 61 61 GLN N N 15 119.905 0.300 . 1 . . . . 61 GLN N . 11139 1 708 . 1 1 61 61 GLN NE2 N 15 110.944 0.300 . 1 . . . . 61 GLN NE2 . 11139 1 709 . 1 1 62 62 ILE H H 1 8.814 0.030 . 1 . . . . 62 ILE H . 11139 1 710 . 1 1 62 62 ILE HA H 1 4.105 0.030 . 1 . . . . 62 ILE HA . 11139 1 711 . 1 1 62 62 ILE HB H 1 1.612 0.030 . 1 . . . . 62 ILE HB . 11139 1 712 . 1 1 62 62 ILE HD11 H 1 0.153 0.030 . 1 . . . . 62 ILE HD1 . 11139 1 713 . 1 1 62 62 ILE HD12 H 1 0.153 0.030 . 1 . . . . 62 ILE HD1 . 11139 1 714 . 1 1 62 62 ILE HD13 H 1 0.153 0.030 . 1 . . . . 62 ILE HD1 . 11139 1 715 . 1 1 62 62 ILE HG12 H 1 1.267 0.030 . 2 . . . . 62 ILE HG12 . 11139 1 716 . 1 1 62 62 ILE HG13 H 1 0.533 0.030 . 2 . . . . 62 ILE HG13 . 11139 1 717 . 1 1 62 62 ILE HG21 H 1 0.449 0.030 . 1 . . . . 62 ILE HG2 . 11139 1 718 . 1 1 62 62 ILE HG22 H 1 0.449 0.030 . 1 . . . . 62 ILE HG2 . 11139 1 719 . 1 1 62 62 ILE HG23 H 1 0.449 0.030 . 1 . . . . 62 ILE HG2 . 11139 1 720 . 1 1 62 62 ILE C C 13 172.023 0.300 . 1 . . . . 62 ILE C . 11139 1 721 . 1 1 62 62 ILE CA C 13 58.554 0.300 . 1 . . . . 62 ILE CA . 11139 1 722 . 1 1 62 62 ILE CB C 13 37.469 0.300 . 1 . . . . 62 ILE CB . 11139 1 723 . 1 1 62 62 ILE CD1 C 13 11.171 0.300 . 1 . . . . 62 ILE CD1 . 11139 1 724 . 1 1 62 62 ILE CG1 C 13 26.217 0.300 . 1 . . . . 62 ILE CG1 . 11139 1 725 . 1 1 62 62 ILE CG2 C 13 14.439 0.300 . 1 . . . . 62 ILE CG2 . 11139 1 726 . 1 1 62 62 ILE N N 15 124.020 0.300 . 1 . . . . 62 ILE N . 11139 1 727 . 1 1 63 63 LYS H H 1 8.023 0.030 . 1 . . . . 63 LYS H . 11139 1 728 . 1 1 63 63 LYS HA H 1 4.937 0.030 . 1 . . . . 63 LYS HA . 11139 1 729 . 1 1 63 63 LYS HB2 H 1 1.689 0.030 . 2 . . . . 63 LYS HB2 . 11139 1 730 . 1 1 63 63 LYS HB3 H 1 1.560 0.030 . 2 . . . . 63 LYS HB3 . 11139 1 731 . 1 1 63 63 LYS HD2 H 1 1.457 0.030 . 1 . . . . 63 LYS HD2 . 11139 1 732 . 1 1 63 63 LYS HD3 H 1 1.457 0.030 . 1 . . . . 63 LYS HD3 . 11139 1 733 . 1 1 63 63 LYS HE2 H 1 2.707 0.030 . 1 . . . . 63 LYS HE2 . 11139 1 734 . 1 1 63 63 LYS HE3 H 1 2.707 0.030 . 1 . . . . 63 LYS HE3 . 11139 1 735 . 1 1 63 63 LYS HG2 H 1 1.195 0.030 . 1 . . . . 63 LYS HG2 . 11139 1 736 . 1 1 63 63 LYS HG3 H 1 1.195 0.030 . 1 . . . . 63 LYS HG3 . 11139 1 737 . 1 1 63 63 LYS C C 13 172.391 0.300 . 1 . . . . 63 LYS C . 11139 1 738 . 1 1 63 63 LYS CA C 13 52.887 0.300 . 1 . . . . 63 LYS CA . 11139 1 739 . 1 1 63 63 LYS CB C 13 32.689 0.300 . 1 . . . . 63 LYS CB . 11139 1 740 . 1 1 63 63 LYS CD C 13 27.035 0.300 . 1 . . . . 63 LYS CD . 11139 1 741 . 1 1 63 63 LYS CE C 13 39.581 0.300 . 1 . . . . 63 LYS CE . 11139 1 742 . 1 1 63 63 LYS CG C 13 22.797 0.300 . 1 . . . . 63 LYS CG . 11139 1 743 . 1 1 63 63 LYS N N 15 127.476 0.300 . 1 . . . . 63 LYS N . 11139 1 744 . 1 1 64 64 ILE H H 1 9.049 0.030 . 1 . . . . 64 ILE H . 11139 1 745 . 1 1 64 64 ILE HA H 1 4.740 0.030 . 1 . . . . 64 ILE HA . 11139 1 746 . 1 1 64 64 ILE HB H 1 1.462 0.030 . 1 . . . . 64 ILE HB . 11139 1 747 . 1 1 64 64 ILE HD11 H 1 0.537 0.030 . 1 . . . . 64 ILE HD1 . 11139 1 748 . 1 1 64 64 ILE HD12 H 1 0.537 0.030 . 1 . . . . 64 ILE HD1 . 11139 1 749 . 1 1 64 64 ILE HD13 H 1 0.537 0.030 . 1 . . . . 64 ILE HD1 . 11139 1 750 . 1 1 64 64 ILE HG12 H 1 0.671 0.030 . 2 . . . . 64 ILE HG12 . 11139 1 751 . 1 1 64 64 ILE HG13 H 1 1.469 0.030 . 2 . . . . 64 ILE HG13 . 11139 1 752 . 1 1 64 64 ILE HG21 H 1 0.765 0.030 . 1 . . . . 64 ILE HG2 . 11139 1 753 . 1 1 64 64 ILE HG22 H 1 0.765 0.030 . 1 . . . . 64 ILE HG2 . 11139 1 754 . 1 1 64 64 ILE HG23 H 1 0.765 0.030 . 1 . . . . 64 ILE HG2 . 11139 1 755 . 1 1 64 64 ILE C C 13 172.489 0.300 . 1 . . . . 64 ILE C . 11139 1 756 . 1 1 64 64 ILE CA C 13 58.407 0.300 . 1 . . . . 64 ILE CA . 11139 1 757 . 1 1 64 64 ILE CB C 13 38.768 0.300 . 1 . . . . 64 ILE CB . 11139 1 758 . 1 1 64 64 ILE CD1 C 13 11.208 0.300 . 1 . . . . 64 ILE CD1 . 11139 1 759 . 1 1 64 64 ILE CG1 C 13 24.965 0.300 . 1 . . . . 64 ILE CG1 . 11139 1 760 . 1 1 64 64 ILE CG2 C 13 16.907 0.300 . 1 . . . . 64 ILE CG2 . 11139 1 761 . 1 1 64 64 ILE N N 15 126.415 0.300 . 1 . . . . 64 ILE N . 11139 1 762 . 1 1 65 65 THR H H 1 8.816 0.030 . 1 . . . . 65 THR H . 11139 1 763 . 1 1 65 65 THR HA H 1 5.215 0.030 . 1 . . . . 65 THR HA . 11139 1 764 . 1 1 65 65 THR HB H 1 3.861 0.030 . 1 . . . . 65 THR HB . 11139 1 765 . 1 1 65 65 THR HG21 H 1 1.089 0.030 . 1 . . . . 65 THR HG2 . 11139 1 766 . 1 1 65 65 THR HG22 H 1 1.089 0.030 . 1 . . . . 65 THR HG2 . 11139 1 767 . 1 1 65 65 THR HG23 H 1 1.089 0.030 . 1 . . . . 65 THR HG2 . 11139 1 768 . 1 1 65 65 THR C C 13 171.697 0.300 . 1 . . . . 65 THR C . 11139 1 769 . 1 1 65 65 THR CA C 13 58.505 0.300 . 1 . . . . 65 THR CA . 11139 1 770 . 1 1 65 65 THR CB C 13 69.210 0.300 . 1 . . . . 65 THR CB . 11139 1 771 . 1 1 65 65 THR CG2 C 13 18.855 0.300 . 1 . . . . 65 THR CG2 . 11139 1 772 . 1 1 65 65 THR N N 15 120.798 0.300 . 1 . . . . 65 THR N . 11139 1 773 . 1 1 66 66 GLY H H 1 8.337 0.030 . 1 . . . . 66 GLY H . 11139 1 774 . 1 1 66 66 GLY HA2 H 1 4.134 0.030 . 2 . . . . 66 GLY HA2 . 11139 1 775 . 1 1 66 66 GLY HA3 H 1 4.062 0.030 . 2 . . . . 66 GLY HA3 . 11139 1 776 . 1 1 66 66 GLY C C 13 169.832 0.300 . 1 . . . . 66 GLY C . 11139 1 777 . 1 1 66 66 GLY CA C 13 43.444 0.300 . 1 . . . . 66 GLY CA . 11139 1 778 . 1 1 66 66 GLY N N 15 111.810 0.300 . 1 . . . . 66 GLY N . 11139 1 779 . 1 1 67 67 THR H H 1 8.667 0.030 . 1 . . . . 67 THR H . 11139 1 780 . 1 1 67 67 THR HA H 1 4.561 0.030 . 1 . . . . 67 THR HA . 11139 1 781 . 1 1 67 67 THR HB H 1 4.629 0.030 . 1 . . . . 67 THR HB . 11139 1 782 . 1 1 67 67 THR HG21 H 1 1.295 0.030 . 1 . . . . 67 THR HG2 . 11139 1 783 . 1 1 67 67 THR HG22 H 1 1.295 0.030 . 1 . . . . 67 THR HG2 . 11139 1 784 . 1 1 67 67 THR HG23 H 1 1.295 0.030 . 1 . . . . 67 THR HG2 . 11139 1 785 . 1 1 67 67 THR C C 13 172.839 0.300 . 1 . . . . 67 THR C . 11139 1 786 . 1 1 67 67 THR CA C 13 58.633 0.300 . 1 . . . . 67 THR CA . 11139 1 787 . 1 1 67 67 THR CB C 13 68.770 0.300 . 1 . . . . 67 THR CB . 11139 1 788 . 1 1 67 67 THR CG2 C 13 19.744 0.300 . 1 . . . . 67 THR CG2 . 11139 1 789 . 1 1 67 67 THR N N 15 111.687 0.300 . 1 . . . . 67 THR N . 11139 1 790 . 1 1 68 68 LYS H H 1 8.874 0.030 . 1 . . . . 68 LYS H . 11139 1 791 . 1 1 68 68 LYS HA H 1 3.729 0.030 . 1 . . . . 68 LYS HA . 11139 1 792 . 1 1 68 68 LYS HB2 H 1 1.790 0.030 . 2 . . . . 68 LYS HB2 . 11139 1 793 . 1 1 68 68 LYS HB3 H 1 1.697 0.030 . 2 . . . . 68 LYS HB3 . 11139 1 794 . 1 1 68 68 LYS HD2 H 1 1.598 0.030 . 1 . . . . 68 LYS HD2 . 11139 1 795 . 1 1 68 68 LYS HD3 H 1 1.598 0.030 . 1 . . . . 68 LYS HD3 . 11139 1 796 . 1 1 68 68 LYS HE2 H 1 2.902 0.030 . 1 . . . . 68 LYS HE2 . 11139 1 797 . 1 1 68 68 LYS HE3 H 1 2.902 0.030 . 1 . . . . 68 LYS HE3 . 11139 1 798 . 1 1 68 68 LYS HG2 H 1 1.412 0.030 . 2 . . . . 68 LYS HG2 . 11139 1 799 . 1 1 68 68 LYS HG3 H 1 1.271 0.030 . 2 . . . . 68 LYS HG3 . 11139 1 800 . 1 1 68 68 LYS C C 13 176.489 0.300 . 1 . . . . 68 LYS C . 11139 1 801 . 1 1 68 68 LYS CA C 13 58.284 0.300 . 1 . . . . 68 LYS CA . 11139 1 802 . 1 1 68 68 LYS CB C 13 29.845 0.300 . 1 . . . . 68 LYS CB . 11139 1 803 . 1 1 68 68 LYS CD C 13 27.083 0.300 . 1 . . . . 68 LYS CD . 11139 1 804 . 1 1 68 68 LYS CE C 13 39.778 0.300 . 1 . . . . 68 LYS CE . 11139 1 805 . 1 1 68 68 LYS CG C 13 22.714 0.300 . 1 . . . . 68 LYS CG . 11139 1 806 . 1 1 68 68 LYS N N 15 120.609 0.300 . 1 . . . . 68 LYS N . 11139 1 807 . 1 1 69 69 GLU H H 1 8.594 0.030 . 1 . . . . 69 GLU H . 11139 1 808 . 1 1 69 69 GLU HA H 1 3.954 0.030 . 1 . . . . 69 GLU HA . 11139 1 809 . 1 1 69 69 GLU HB2 H 1 1.938 0.030 . 2 . . . . 69 GLU HB2 . 11139 1 810 . 1 1 69 69 GLU HB3 H 1 1.815 0.030 . 2 . . . . 69 GLU HB3 . 11139 1 811 . 1 1 69 69 GLU HG2 H 1 2.260 0.030 . 2 . . . . 69 GLU HG2 . 11139 1 812 . 1 1 69 69 GLU HG3 H 1 2.175 0.030 . 2 . . . . 69 GLU HG3 . 11139 1 813 . 1 1 69 69 GLU C C 13 176.964 0.300 . 1 . . . . 69 GLU C . 11139 1 814 . 1 1 69 69 GLU CA C 13 57.378 0.300 . 1 . . . . 69 GLU CA . 11139 1 815 . 1 1 69 69 GLU CB C 13 26.839 0.300 . 1 . . . . 69 GLU CB . 11139 1 816 . 1 1 69 69 GLU CG C 13 34.502 0.300 . 1 . . . . 69 GLU CG . 11139 1 817 . 1 1 69 69 GLU N N 15 116.737 0.300 . 1 . . . . 69 GLU N . 11139 1 818 . 1 1 70 70 GLY H H 1 7.998 0.030 . 1 . . . . 70 GLY H . 11139 1 819 . 1 1 70 70 GLY HA2 H 1 3.919 0.030 . 2 . . . . 70 GLY HA2 . 11139 1 820 . 1 1 70 70 GLY HA3 H 1 3.687 0.030 . 2 . . . . 70 GLY HA3 . 11139 1 821 . 1 1 70 70 GLY C C 13 173.811 0.300 . 1 . . . . 70 GLY C . 11139 1 822 . 1 1 70 70 GLY CA C 13 45.524 0.300 . 1 . . . . 70 GLY CA . 11139 1 823 . 1 1 70 70 GLY N N 15 110.592 0.300 . 1 . . . . 70 GLY N . 11139 1 824 . 1 1 71 71 ILE H H 1 8.707 0.030 . 1 . . . . 71 ILE H . 11139 1 825 . 1 1 71 71 ILE HA H 1 3.401 0.030 . 1 . . . . 71 ILE HA . 11139 1 826 . 1 1 71 71 ILE HB H 1 1.613 0.030 . 1 . . . . 71 ILE HB . 11139 1 827 . 1 1 71 71 ILE HD11 H 1 0.499 0.030 . 1 . . . . 71 ILE HD1 . 11139 1 828 . 1 1 71 71 ILE HD12 H 1 0.499 0.030 . 1 . . . . 71 ILE HD1 . 11139 1 829 . 1 1 71 71 ILE HD13 H 1 0.499 0.030 . 1 . . . . 71 ILE HD1 . 11139 1 830 . 1 1 71 71 ILE HG12 H 1 1.337 0.030 . 2 . . . . 71 ILE HG12 . 11139 1 831 . 1 1 71 71 ILE HG13 H 1 0.648 0.030 . 2 . . . . 71 ILE HG13 . 11139 1 832 . 1 1 71 71 ILE HG21 H 1 0.597 0.030 . 1 . . . . 71 ILE HG2 . 11139 1 833 . 1 1 71 71 ILE HG22 H 1 0.597 0.030 . 1 . . . . 71 ILE HG2 . 11139 1 834 . 1 1 71 71 ILE HG23 H 1 0.597 0.030 . 1 . . . . 71 ILE HG2 . 11139 1 835 . 1 1 71 71 ILE C C 13 175.455 0.300 . 1 . . . . 71 ILE C . 11139 1 836 . 1 1 71 71 ILE CA C 13 63.300 0.300 . 1 . . . . 71 ILE CA . 11139 1 837 . 1 1 71 71 ILE CB C 13 35.615 0.300 . 1 . . . . 71 ILE CB . 11139 1 838 . 1 1 71 71 ILE CD1 C 13 12.118 0.300 . 1 . . . . 71 ILE CD1 . 11139 1 839 . 1 1 71 71 ILE CG1 C 13 26.120 0.300 . 1 . . . . 71 ILE CG1 . 11139 1 840 . 1 1 71 71 ILE CG2 C 13 15.543 0.300 . 1 . . . . 71 ILE CG2 . 11139 1 841 . 1 1 71 71 ILE N N 15 119.644 0.300 . 1 . . . . 71 ILE N . 11139 1 842 . 1 1 72 72 GLU H H 1 7.490 0.030 . 1 . . . . 72 GLU H . 11139 1 843 . 1 1 72 72 GLU HA H 1 3.896 0.030 . 1 . . . . 72 GLU HA . 11139 1 844 . 1 1 72 72 GLU HB2 H 1 1.966 0.030 . 2 . . . . 72 GLU HB2 . 11139 1 845 . 1 1 72 72 GLU HB3 H 1 2.000 0.030 . 2 . . . . 72 GLU HB3 . 11139 1 846 . 1 1 72 72 GLU HG2 H 1 2.279 0.030 . 2 . . . . 72 GLU HG2 . 11139 1 847 . 1 1 72 72 GLU HG3 H 1 2.230 0.030 . 2 . . . . 72 GLU HG3 . 11139 1 848 . 1 1 72 72 GLU C C 13 177.211 0.300 . 1 . . . . 72 GLU C . 11139 1 849 . 1 1 72 72 GLU CA C 13 56.815 0.300 . 1 . . . . 72 GLU CA . 11139 1 850 . 1 1 72 72 GLU CB C 13 26.765 0.300 . 1 . . . . 72 GLU CB . 11139 1 851 . 1 1 72 72 GLU CG C 13 33.513 0.300 . 1 . . . . 72 GLU CG . 11139 1 852 . 1 1 72 72 GLU N N 15 117.795 0.300 . 1 . . . . 72 GLU N . 11139 1 853 . 1 1 73 73 LYS H H 1 7.546 0.030 . 1 . . . . 73 LYS H . 11139 1 854 . 1 1 73 73 LYS HA H 1 4.061 0.030 . 1 . . . . 73 LYS HA . 11139 1 855 . 1 1 73 73 LYS HB2 H 1 1.829 0.030 . 2 . . . . 73 LYS HB2 . 11139 1 856 . 1 1 73 73 LYS HB3 H 1 1.880 0.030 . 2 . . . . 73 LYS HB3 . 11139 1 857 . 1 1 73 73 LYS HD2 H 1 1.582 0.030 . 1 . . . . 73 LYS HD2 . 11139 1 858 . 1 1 73 73 LYS HD3 H 1 1.582 0.030 . 1 . . . . 73 LYS HD3 . 11139 1 859 . 1 1 73 73 LYS HE2 H 1 2.810 0.030 . 1 . . . . 73 LYS HE2 . 11139 1 860 . 1 1 73 73 LYS HE3 H 1 2.810 0.030 . 1 . . . . 73 LYS HE3 . 11139 1 861 . 1 1 73 73 LYS HG2 H 1 1.342 0.030 . 2 . . . . 73 LYS HG2 . 11139 1 862 . 1 1 73 73 LYS HG3 H 1 1.584 0.030 . 2 . . . . 73 LYS HG3 . 11139 1 863 . 1 1 73 73 LYS C C 13 176.767 0.300 . 1 . . . . 73 LYS C . 11139 1 864 . 1 1 73 73 LYS CA C 13 57.081 0.300 . 1 . . . . 73 LYS CA . 11139 1 865 . 1 1 73 73 LYS CB C 13 30.563 0.300 . 1 . . . . 73 LYS CB . 11139 1 866 . 1 1 73 73 LYS CD C 13 27.061 0.300 . 1 . . . . 73 LYS CD . 11139 1 867 . 1 1 73 73 LYS CE C 13 39.778 0.300 . 1 . . . . 73 LYS CE . 11139 1 868 . 1 1 73 73 LYS CG C 13 23.174 0.300 . 1 . . . . 73 LYS CG . 11139 1 869 . 1 1 73 73 LYS N N 15 119.047 0.300 . 1 . . . . 73 LYS N . 11139 1 870 . 1 1 74 74 ALA H H 1 8.670 0.030 . 1 . . . . 74 ALA H . 11139 1 871 . 1 1 74 74 ALA HA H 1 3.823 0.030 . 1 . . . . 74 ALA HA . 11139 1 872 . 1 1 74 74 ALA HB1 H 1 1.327 0.030 . 1 . . . . 74 ALA HB . 11139 1 873 . 1 1 74 74 ALA HB2 H 1 1.327 0.030 . 1 . . . . 74 ALA HB . 11139 1 874 . 1 1 74 74 ALA HB3 H 1 1.327 0.030 . 1 . . . . 74 ALA HB . 11139 1 875 . 1 1 74 74 ALA C C 13 176.276 0.300 . 1 . . . . 74 ALA C . 11139 1 876 . 1 1 74 74 ALA CA C 13 53.550 0.300 . 1 . . . . 74 ALA CA . 11139 1 877 . 1 1 74 74 ALA CB C 13 16.691 0.300 . 1 . . . . 74 ALA CB . 11139 1 878 . 1 1 74 74 ALA N N 15 121.647 0.300 . 1 . . . . 74 ALA N . 11139 1 879 . 1 1 75 75 ARG H H 1 9.012 0.030 . 1 . . . . 75 ARG H . 11139 1 880 . 1 1 75 75 ARG HA H 1 3.436 0.030 . 1 . . . . 75 ARG HA . 11139 1 881 . 1 1 75 75 ARG HB2 H 1 1.844 0.030 . 2 . . . . 75 ARG HB2 . 11139 1 882 . 1 1 75 75 ARG HB3 H 1 1.539 0.030 . 2 . . . . 75 ARG HB3 . 11139 1 883 . 1 1 75 75 ARG HD2 H 1 3.034 0.030 . 1 . . . . 75 ARG HD2 . 11139 1 884 . 1 1 75 75 ARG HD3 H 1 3.034 0.030 . 1 . . . . 75 ARG HD3 . 11139 1 885 . 1 1 75 75 ARG HG2 H 1 1.330 0.030 . 2 . . . . 75 ARG HG2 . 11139 1 886 . 1 1 75 75 ARG HG3 H 1 1.419 0.030 . 2 . . . . 75 ARG HG3 . 11139 1 887 . 1 1 75 75 ARG C C 13 174.744 0.300 . 1 . . . . 75 ARG C . 11139 1 888 . 1 1 75 75 ARG CA C 13 57.943 0.300 . 1 . . . . 75 ARG CA . 11139 1 889 . 1 1 75 75 ARG CB C 13 27.948 0.300 . 1 . . . . 75 ARG CB . 11139 1 890 . 1 1 75 75 ARG CD C 13 41.342 0.300 . 1 . . . . 75 ARG CD . 11139 1 891 . 1 1 75 75 ARG CG C 13 24.967 0.300 . 1 . . . . 75 ARG CG . 11139 1 892 . 1 1 75 75 ARG N N 15 117.978 0.300 . 1 . . . . 75 ARG N . 11139 1 893 . 1 1 76 76 HIS H H 1 7.607 0.030 . 1 . . . . 76 HIS H . 11139 1 894 . 1 1 76 76 HIS HA H 1 4.120 0.030 . 1 . . . . 76 HIS HA . 11139 1 895 . 1 1 76 76 HIS HB2 H 1 3.146 0.030 . 2 . . . . 76 HIS HB2 . 11139 1 896 . 1 1 76 76 HIS HB3 H 1 3.261 0.030 . 2 . . . . 76 HIS HB3 . 11139 1 897 . 1 1 76 76 HIS HD2 H 1 6.925 0.030 . 1 . . . . 76 HIS HD2 . 11139 1 898 . 1 1 76 76 HIS HE1 H 1 7.787 0.030 . 1 . . . . 76 HIS HE1 . 11139 1 899 . 1 1 76 76 HIS C C 13 175.255 0.300 . 1 . . . . 76 HIS C . 11139 1 900 . 1 1 76 76 HIS CA C 13 57.663 0.300 . 1 . . . . 76 HIS CA . 11139 1 901 . 1 1 76 76 HIS CB C 13 27.916 0.300 . 1 . . . . 76 HIS CB . 11139 1 902 . 1 1 76 76 HIS CD2 C 13 117.467 0.300 . 1 . . . . 76 HIS CD2 . 11139 1 903 . 1 1 76 76 HIS CE1 C 13 135.892 0.300 . 1 . . . . 76 HIS CE1 . 11139 1 904 . 1 1 76 76 HIS N N 15 115.827 0.300 . 1 . . . . 76 HIS N . 11139 1 905 . 1 1 77 77 GLU H H 1 7.746 0.030 . 1 . . . . 77 GLU H . 11139 1 906 . 1 1 77 77 GLU HA H 1 3.888 0.030 . 1 . . . . 77 GLU HA . 11139 1 907 . 1 1 77 77 GLU HB2 H 1 1.944 0.030 . 2 . . . . 77 GLU HB2 . 11139 1 908 . 1 1 77 77 GLU HB3 H 1 2.012 0.030 . 2 . . . . 77 GLU HB3 . 11139 1 909 . 1 1 77 77 GLU HG2 H 1 2.434 0.030 . 2 . . . . 77 GLU HG2 . 11139 1 910 . 1 1 77 77 GLU HG3 H 1 2.056 0.030 . 2 . . . . 77 GLU HG3 . 11139 1 911 . 1 1 77 77 GLU C C 13 177.140 0.300 . 1 . . . . 77 GLU C . 11139 1 912 . 1 1 77 77 GLU CA C 13 56.762 0.300 . 1 . . . . 77 GLU CA . 11139 1 913 . 1 1 77 77 GLU CB C 13 27.132 0.300 . 1 . . . . 77 GLU CB . 11139 1 914 . 1 1 77 77 GLU CG C 13 32.916 0.300 . 1 . . . . 77 GLU CG . 11139 1 915 . 1 1 77 77 GLU N N 15 116.376 0.300 . 1 . . . . 77 GLU N . 11139 1 916 . 1 1 78 78 VAL H H 1 8.386 0.030 . 1 . . . . 78 VAL H . 11139 1 917 . 1 1 78 78 VAL HA H 1 3.391 0.030 . 1 . . . . 78 VAL HA . 11139 1 918 . 1 1 78 78 VAL HB H 1 2.012 0.030 . 1 . . . . 78 VAL HB . 11139 1 919 . 1 1 78 78 VAL HG11 H 1 0.817 0.030 . 1 . . . . 78 VAL HG1 . 11139 1 920 . 1 1 78 78 VAL HG12 H 1 0.817 0.030 . 1 . . . . 78 VAL HG1 . 11139 1 921 . 1 1 78 78 VAL HG13 H 1 0.817 0.030 . 1 . . . . 78 VAL HG1 . 11139 1 922 . 1 1 78 78 VAL HG21 H 1 0.706 0.030 . 1 . . . . 78 VAL HG2 . 11139 1 923 . 1 1 78 78 VAL HG22 H 1 0.706 0.030 . 1 . . . . 78 VAL HG2 . 11139 1 924 . 1 1 78 78 VAL HG23 H 1 0.706 0.030 . 1 . . . . 78 VAL HG2 . 11139 1 925 . 1 1 78 78 VAL C C 13 175.062 0.300 . 1 . . . . 78 VAL C . 11139 1 926 . 1 1 78 78 VAL CA C 13 64.981 0.300 . 1 . . . . 78 VAL CA . 11139 1 927 . 1 1 78 78 VAL CB C 13 29.189 0.300 . 1 . . . . 78 VAL CB . 11139 1 928 . 1 1 78 78 VAL CG1 C 13 20.328 0.300 . 2 . . . . 78 VAL CG1 . 11139 1 929 . 1 1 78 78 VAL CG2 C 13 20.076 0.300 . 2 . . . . 78 VAL CG2 . 11139 1 930 . 1 1 78 78 VAL N N 15 119.025 0.300 . 1 . . . . 78 VAL N . 11139 1 931 . 1 1 79 79 LEU H H 1 8.092 0.030 . 1 . . . . 79 LEU H . 11139 1 932 . 1 1 79 79 LEU HA H 1 3.870 0.030 . 1 . . . . 79 LEU HA . 11139 1 933 . 1 1 79 79 LEU HB2 H 1 1.822 0.030 . 2 . . . . 79 LEU HB2 . 11139 1 934 . 1 1 79 79 LEU HB3 H 1 1.289 0.030 . 2 . . . . 79 LEU HB3 . 11139 1 935 . 1 1 79 79 LEU HD11 H 1 0.760 0.030 . 1 . . . . 79 LEU HD1 . 11139 1 936 . 1 1 79 79 LEU HD12 H 1 0.760 0.030 . 1 . . . . 79 LEU HD1 . 11139 1 937 . 1 1 79 79 LEU HD13 H 1 0.760 0.030 . 1 . . . . 79 LEU HD1 . 11139 1 938 . 1 1 79 79 LEU HD21 H 1 0.732 0.030 . 1 . . . . 79 LEU HD2 . 11139 1 939 . 1 1 79 79 LEU HD22 H 1 0.732 0.030 . 1 . . . . 79 LEU HD2 . 11139 1 940 . 1 1 79 79 LEU HD23 H 1 0.732 0.030 . 1 . . . . 79 LEU HD2 . 11139 1 941 . 1 1 79 79 LEU HG H 1 1.642 0.030 . 1 . . . . 79 LEU HG . 11139 1 942 . 1 1 79 79 LEU C C 13 178.277 0.300 . 1 . . . . 79 LEU C . 11139 1 943 . 1 1 79 79 LEU CA C 13 55.825 0.300 . 1 . . . . 79 LEU CA . 11139 1 944 . 1 1 79 79 LEU CB C 13 38.649 0.300 . 1 . . . . 79 LEU CB . 11139 1 945 . 1 1 79 79 LEU CD1 C 13 23.316 0.300 . 2 . . . . 79 LEU CD1 . 11139 1 946 . 1 1 79 79 LEU CD2 C 13 20.159 0.300 . 2 . . . . 79 LEU CD2 . 11139 1 947 . 1 1 79 79 LEU CG C 13 24.857 0.300 . 1 . . . . 79 LEU CG . 11139 1 948 . 1 1 79 79 LEU N N 15 118.595 0.300 . 1 . . . . 79 LEU N . 11139 1 949 . 1 1 80 80 LEU H H 1 7.926 0.030 . 1 . . . . 80 LEU H . 11139 1 950 . 1 1 80 80 LEU HA H 1 3.933 0.030 . 1 . . . . 80 LEU HA . 11139 1 951 . 1 1 80 80 LEU HB2 H 1 1.447 0.030 . 2 . . . . 80 LEU HB2 . 11139 1 952 . 1 1 80 80 LEU HB3 H 1 1.607 0.030 . 2 . . . . 80 LEU HB3 . 11139 1 953 . 1 1 80 80 LEU HD11 H 1 0.633 0.030 . 1 . . . . 80 LEU HD1 . 11139 1 954 . 1 1 80 80 LEU HD12 H 1 0.633 0.030 . 1 . . . . 80 LEU HD1 . 11139 1 955 . 1 1 80 80 LEU HD13 H 1 0.633 0.030 . 1 . . . . 80 LEU HD1 . 11139 1 956 . 1 1 80 80 LEU HD21 H 1 0.656 0.030 . 1 . . . . 80 LEU HD2 . 11139 1 957 . 1 1 80 80 LEU HD22 H 1 0.656 0.030 . 1 . . . . 80 LEU HD2 . 11139 1 958 . 1 1 80 80 LEU HD23 H 1 0.656 0.030 . 1 . . . . 80 LEU HD2 . 11139 1 959 . 1 1 80 80 LEU HG H 1 1.368 0.030 . 1 . . . . 80 LEU HG . 11139 1 960 . 1 1 80 80 LEU C C 13 177.292 0.300 . 1 . . . . 80 LEU C . 11139 1 961 . 1 1 80 80 LEU CA C 13 55.807 0.300 . 1 . . . . 80 LEU CA . 11139 1 962 . 1 1 80 80 LEU CB C 13 39.462 0.300 . 1 . . . . 80 LEU CB . 11139 1 963 . 1 1 80 80 LEU CD1 C 13 22.550 0.300 . 2 . . . . 80 LEU CD1 . 11139 1 964 . 1 1 80 80 LEU CD2 C 13 21.323 0.300 . 2 . . . . 80 LEU CD2 . 11139 1 965 . 1 1 80 80 LEU CG C 13 24.132 0.300 . 1 . . . . 80 LEU CG . 11139 1 966 . 1 1 80 80 LEU N N 15 121.884 0.300 . 1 . . . . 80 LEU N . 11139 1 967 . 1 1 81 81 ILE H H 1 7.738 0.030 . 1 . . . . 81 ILE H . 11139 1 968 . 1 1 81 81 ILE HA H 1 3.534 0.030 . 1 . . . . 81 ILE HA . 11139 1 969 . 1 1 81 81 ILE HB H 1 1.817 0.030 . 1 . . . . 81 ILE HB . 11139 1 970 . 1 1 81 81 ILE HD11 H 1 0.808 0.030 . 1 . . . . 81 ILE HD1 . 11139 1 971 . 1 1 81 81 ILE HD12 H 1 0.808 0.030 . 1 . . . . 81 ILE HD1 . 11139 1 972 . 1 1 81 81 ILE HD13 H 1 0.808 0.030 . 1 . . . . 81 ILE HD1 . 11139 1 973 . 1 1 81 81 ILE HG12 H 1 1.762 0.030 . 2 . . . . 81 ILE HG12 . 11139 1 974 . 1 1 81 81 ILE HG13 H 1 0.941 0.030 . 2 . . . . 81 ILE HG13 . 11139 1 975 . 1 1 81 81 ILE HG21 H 1 0.645 0.030 . 1 . . . . 81 ILE HG2 . 11139 1 976 . 1 1 81 81 ILE HG22 H 1 0.645 0.030 . 1 . . . . 81 ILE HG2 . 11139 1 977 . 1 1 81 81 ILE HG23 H 1 0.645 0.030 . 1 . . . . 81 ILE HG2 . 11139 1 978 . 1 1 81 81 ILE C C 13 176.261 0.300 . 1 . . . . 81 ILE C . 11139 1 979 . 1 1 81 81 ILE CA C 13 62.740 0.300 . 1 . . . . 81 ILE CA . 11139 1 980 . 1 1 81 81 ILE CB C 13 35.890 0.300 . 1 . . . . 81 ILE CB . 11139 1 981 . 1 1 81 81 ILE CD1 C 13 12.826 0.300 . 1 . . . . 81 ILE CD1 . 11139 1 982 . 1 1 81 81 ILE CG1 C 13 27.120 0.300 . 1 . . . . 81 ILE CG1 . 11139 1 983 . 1 1 81 81 ILE CG2 C 13 15.047 0.300 . 1 . . . . 81 ILE CG2 . 11139 1 984 . 1 1 81 81 ILE N N 15 120.690 0.300 . 1 . . . . 81 ILE N . 11139 1 985 . 1 1 82 82 SER H H 1 7.459 0.030 . 1 . . . . 82 SER H . 11139 1 986 . 1 1 82 82 SER HA H 1 3.951 0.030 . 1 . . . . 82 SER HA . 11139 1 987 . 1 1 82 82 SER HB2 H 1 3.935 0.030 . 1 . . . . 82 SER HB2 . 11139 1 988 . 1 1 82 82 SER HB3 H 1 3.935 0.030 . 1 . . . . 82 SER HB3 . 11139 1 989 . 1 1 82 82 SER C C 13 174.341 0.300 . 1 . . . . 82 SER C . 11139 1 990 . 1 1 82 82 SER CA C 13 57.929 0.300 . 1 . . . . 82 SER CA . 11139 1 991 . 1 1 82 82 SER CB C 13 61.336 0.300 . 1 . . . . 82 SER CB . 11139 1 992 . 1 1 82 82 SER N N 15 111.744 0.300 . 1 . . . . 82 SER N . 11139 1 993 . 1 1 83 83 ALA H H 1 8.311 0.030 . 1 . . . . 83 ALA H . 11139 1 994 . 1 1 83 83 ALA HA H 1 4.086 0.030 . 1 . . . . 83 ALA HA . 11139 1 995 . 1 1 83 83 ALA HB1 H 1 1.409 0.030 . 1 . . . . 83 ALA HB . 11139 1 996 . 1 1 83 83 ALA HB2 H 1 1.409 0.030 . 1 . . . . 83 ALA HB . 11139 1 997 . 1 1 83 83 ALA HB3 H 1 1.409 0.030 . 1 . . . . 83 ALA HB . 11139 1 998 . 1 1 83 83 ALA C C 13 178.433 0.300 . 1 . . . . 83 ALA C . 11139 1 999 . 1 1 83 83 ALA CA C 13 52.553 0.300 . 1 . . . . 83 ALA CA . 11139 1 1000 . 1 1 83 83 ALA CB C 13 15.785 0.300 . 1 . . . . 83 ALA CB . 11139 1 1001 . 1 1 83 83 ALA N N 15 120.642 0.300 . 1 . . . . 83 ALA N . 11139 1 1002 . 1 1 84 84 GLU H H 1 7.876 0.030 . 1 . . . . 84 GLU H . 11139 1 1003 . 1 1 84 84 GLU HA H 1 3.840 0.030 . 1 . . . . 84 GLU HA . 11139 1 1004 . 1 1 84 84 GLU HB2 H 1 1.962 0.030 . 2 . . . . 84 GLU HB2 . 11139 1 1005 . 1 1 84 84 GLU HB3 H 1 1.840 0.030 . 2 . . . . 84 GLU HB3 . 11139 1 1006 . 1 1 84 84 GLU HG2 H 1 2.169 0.030 . 2 . . . . 84 GLU HG2 . 11139 1 1007 . 1 1 84 84 GLU HG3 H 1 2.057 0.030 . 2 . . . . 84 GLU HG3 . 11139 1 1008 . 1 1 84 84 GLU C C 13 176.317 0.300 . 1 . . . . 84 GLU C . 11139 1 1009 . 1 1 84 84 GLU CA C 13 56.143 0.300 . 1 . . . . 84 GLU CA . 11139 1 1010 . 1 1 84 84 GLU CB C 13 26.956 0.300 . 1 . . . . 84 GLU CB . 11139 1 1011 . 1 1 84 84 GLU CG C 13 33.842 0.300 . 1 . . . . 84 GLU CG . 11139 1 1012 . 1 1 84 84 GLU N N 15 117.074 0.300 . 1 . . . . 84 GLU N . 11139 1 1013 . 1 1 85 85 GLN H H 1 7.245 0.030 . 1 . . . . 85 GLN H . 11139 1 1014 . 1 1 85 85 GLN HA H 1 3.605 0.030 . 1 . . . . 85 GLN HA . 11139 1 1015 . 1 1 85 85 GLN HB2 H 1 1.432 0.030 . 2 . . . . 85 GLN HB2 . 11139 1 1016 . 1 1 85 85 GLN HB3 H 1 0.934 0.030 . 2 . . . . 85 GLN HB3 . 11139 1 1017 . 1 1 85 85 GLN HE21 H 1 6.053 0.030 . 2 . . . . 85 GLN HE21 . 11139 1 1018 . 1 1 85 85 GLN HE22 H 1 6.990 0.030 . 2 . . . . 85 GLN HE22 . 11139 1 1019 . 1 1 85 85 GLN HG2 H 1 1.241 0.030 . 2 . . . . 85 GLN HG2 . 11139 1 1020 . 1 1 85 85 GLN HG3 H 1 1.960 0.030 . 2 . . . . 85 GLN HG3 . 11139 1 1021 . 1 1 85 85 GLN C C 13 175.507 0.300 . 1 . . . . 85 GLN C . 11139 1 1022 . 1 1 85 85 GLN CA C 13 53.807 0.300 . 1 . . . . 85 GLN CA . 11139 1 1023 . 1 1 85 85 GLN CB C 13 24.012 0.300 . 1 . . . . 85 GLN CB . 11139 1 1024 . 1 1 85 85 GLN CG C 13 29.695 0.300 . 1 . . . . 85 GLN CG . 11139 1 1025 . 1 1 85 85 GLN N N 15 116.096 0.300 . 1 . . . . 85 GLN N . 11139 1 1026 . 1 1 85 85 GLN NE2 N 15 112.884 0.300 . 1 . . . . 85 GLN NE2 . 11139 1 1027 . 1 1 86 86 ASP H H 1 7.760 0.030 . 1 . . . . 86 ASP H . 11139 1 1028 . 1 1 86 86 ASP HA H 1 4.467 0.030 . 1 . . . . 86 ASP HA . 11139 1 1029 . 1 1 86 86 ASP HB2 H 1 2.654 0.030 . 1 . . . . 86 ASP HB2 . 11139 1 1030 . 1 1 86 86 ASP HB3 H 1 2.654 0.030 . 1 . . . . 86 ASP HB3 . 11139 1 1031 . 1 1 86 86 ASP C C 13 175.027 0.300 . 1 . . . . 86 ASP C . 11139 1 1032 . 1 1 86 86 ASP CA C 13 53.622 0.300 . 1 . . . . 86 ASP CA . 11139 1 1033 . 1 1 86 86 ASP CB C 13 38.720 0.300 . 1 . . . . 86 ASP CB . 11139 1 1034 . 1 1 86 86 ASP N N 15 119.641 0.300 . 1 . . . . 86 ASP N . 11139 1 1035 . 1 1 87 87 LYS H H 1 7.576 0.030 . 1 . . . . 87 LYS H . 11139 1 1036 . 1 1 87 87 LYS HA H 1 4.082 0.030 . 1 . . . . 87 LYS HA . 11139 1 1037 . 1 1 87 87 LYS HB2 H 1 1.701 0.030 . 2 . . . . 87 LYS HB2 . 11139 1 1038 . 1 1 87 87 LYS HB3 H 1 1.784 0.030 . 2 . . . . 87 LYS HB3 . 11139 1 1039 . 1 1 87 87 LYS HD2 H 1 1.584 0.030 . 1 . . . . 87 LYS HD2 . 11139 1 1040 . 1 1 87 87 LYS HD3 H 1 1.584 0.030 . 1 . . . . 87 LYS HD3 . 11139 1 1041 . 1 1 87 87 LYS HE2 H 1 2.843 0.030 . 1 . . . . 87 LYS HE2 . 11139 1 1042 . 1 1 87 87 LYS HE3 H 1 2.843 0.030 . 1 . . . . 87 LYS HE3 . 11139 1 1043 . 1 1 87 87 LYS HG2 H 1 1.309 0.030 . 2 . . . . 87 LYS HG2 . 11139 1 1044 . 1 1 87 87 LYS HG3 H 1 1.408 0.030 . 2 . . . . 87 LYS HG3 . 11139 1 1045 . 1 1 87 87 LYS C C 13 174.962 0.300 . 1 . . . . 87 LYS C . 11139 1 1046 . 1 1 87 87 LYS CA C 13 54.888 0.300 . 1 . . . . 87 LYS CA . 11139 1 1047 . 1 1 87 87 LYS CB C 13 30.174 0.300 . 1 . . . . 87 LYS CB . 11139 1 1048 . 1 1 87 87 LYS CD C 13 26.753 0.300 . 1 . . . . 87 LYS CD . 11139 1 1049 . 1 1 87 87 LYS CE C 13 39.778 0.300 . 1 . . . . 87 LYS CE . 11139 1 1050 . 1 1 87 87 LYS CG C 13 22.632 0.300 . 1 . . . . 87 LYS CG . 11139 1 1051 . 1 1 87 87 LYS N N 15 118.812 0.300 . 1 . . . . 87 LYS N . 11139 1 1052 . 1 1 88 88 ARG H H 1 7.797 0.030 . 1 . . . . 88 ARG H . 11139 1 1053 . 1 1 88 88 ARG HA H 1 4.193 0.030 . 1 . . . . 88 ARG HA . 11139 1 1054 . 1 1 88 88 ARG HB2 H 1 1.776 0.030 . 2 . . . . 88 ARG HB2 . 11139 1 1055 . 1 1 88 88 ARG HB3 H 1 1.662 0.030 . 2 . . . . 88 ARG HB3 . 11139 1 1056 . 1 1 88 88 ARG HD2 H 1 3.020 0.030 . 1 . . . . 88 ARG HD2 . 11139 1 1057 . 1 1 88 88 ARG HD3 H 1 3.020 0.030 . 1 . . . . 88 ARG HD3 . 11139 1 1058 . 1 1 88 88 ARG HG2 H 1 1.553 0.030 . 2 . . . . 88 ARG HG2 . 11139 1 1059 . 1 1 88 88 ARG HG3 H 1 1.504 0.030 . 2 . . . . 88 ARG HG3 . 11139 1 1060 . 1 1 88 88 ARG C C 13 174.216 0.300 . 1 . . . . 88 ARG C . 11139 1 1061 . 1 1 88 88 ARG CA C 13 54.269 0.300 . 1 . . . . 88 ARG CA . 11139 1 1062 . 1 1 88 88 ARG CB C 13 28.279 0.300 . 1 . . . . 88 ARG CB . 11139 1 1063 . 1 1 88 88 ARG CD C 13 40.985 0.300 . 1 . . . . 88 ARG CD . 11139 1 1064 . 1 1 88 88 ARG CG C 13 24.853 0.300 . 1 . . . . 88 ARG CG . 11139 1 1065 . 1 1 88 88 ARG N N 15 119.390 0.300 . 1 . . . . 88 ARG N . 11139 1 1066 . 1 1 89 89 SER H H 1 8.026 0.030 . 1 . . . . 89 SER H . 11139 1 1067 . 1 1 89 89 SER HA H 1 4.394 0.030 . 1 . . . . 89 SER HA . 11139 1 1068 . 1 1 89 89 SER HB2 H 1 3.784 0.030 . 1 . . . . 89 SER HB2 . 11139 1 1069 . 1 1 89 89 SER HB3 H 1 3.784 0.030 . 1 . . . . 89 SER HB3 . 11139 1 1070 . 1 1 89 89 SER C C 13 172.227 0.300 . 1 . . . . 89 SER C . 11139 1 1071 . 1 1 89 89 SER CA C 13 56.143 0.300 . 1 . . . . 89 SER CA . 11139 1 1072 . 1 1 89 89 SER CB C 13 61.621 0.300 . 1 . . . . 89 SER CB . 11139 1 1073 . 1 1 89 89 SER N N 15 115.369 0.300 . 1 . . . . 89 SER N . 11139 1 1074 . 1 1 90 90 GLY H H 1 8.046 0.030 . 1 . . . . 90 GLY H . 11139 1 1075 . 1 1 90 90 GLY HA2 H 1 4.072 0.030 . 2 . . . . 90 GLY HA2 . 11139 1 1076 . 1 1 90 90 GLY HA3 H 1 3.999 0.030 . 2 . . . . 90 GLY HA3 . 11139 1 1077 . 1 1 90 90 GLY C C 13 169.435 0.300 . 1 . . . . 90 GLY C . 11139 1 1078 . 1 1 90 90 GLY CA C 13 42.400 0.300 . 1 . . . . 90 GLY CA . 11139 1 1079 . 1 1 90 90 GLY N N 15 110.218 0.300 . 1 . . . . 90 GLY N . 11139 1 1080 . 1 1 91 91 PRO HA H 1 4.379 0.030 . 1 . . . . 91 PRO HA . 11139 1 1081 . 1 1 91 91 PRO HB2 H 1 2.194 0.030 . 2 . . . . 91 PRO HB2 . 11139 1 1082 . 1 1 91 91 PRO HB3 H 1 1.871 0.030 . 2 . . . . 91 PRO HB3 . 11139 1 1083 . 1 1 91 91 PRO HD2 H 1 3.532 0.030 . 1 . . . . 91 PRO HD2 . 11139 1 1084 . 1 1 91 91 PRO HD3 H 1 3.532 0.030 . 1 . . . . 91 PRO HD3 . 11139 1 1085 . 1 1 91 91 PRO HG2 H 1 1.914 0.030 . 1 . . . . 91 PRO HG2 . 11139 1 1086 . 1 1 91 91 PRO HG3 H 1 1.914 0.030 . 1 . . . . 91 PRO HG3 . 11139 1 1087 . 1 1 91 91 PRO C C 13 175.122 0.300 . 1 . . . . 91 PRO C . 11139 1 1088 . 1 1 91 91 PRO CA C 13 60.899 0.300 . 1 . . . . 91 PRO CA . 11139 1 1089 . 1 1 91 91 PRO CB C 13 29.834 0.300 . 1 . . . . 91 PRO CB . 11139 1 1090 . 1 1 91 91 PRO CD C 13 47.458 0.300 . 1 . . . . 91 PRO CD . 11139 1 1091 . 1 1 91 91 PRO CG C 13 24.805 0.300 . 1 . . . . 91 PRO CG . 11139 1 1092 . 1 1 92 92 SER H H 1 8.449 0.030 . 1 . . . . 92 SER H . 11139 1 1093 . 1 1 92 92 SER HA H 1 4.394 0.030 . 1 . . . . 92 SER HA . 11139 1 1094 . 1 1 92 92 SER HB2 H 1 3.812 0.030 . 1 . . . . 92 SER HB2 . 11139 1 1095 . 1 1 92 92 SER HB3 H 1 3.812 0.030 . 1 . . . . 92 SER HB3 . 11139 1 1096 . 1 1 92 92 SER C C 13 172.353 0.300 . 1 . . . . 92 SER C . 11139 1 1097 . 1 1 92 92 SER CA C 13 56.037 0.300 . 1 . . . . 92 SER CA . 11139 1 1098 . 1 1 92 92 SER CB C 13 61.498 0.300 . 1 . . . . 92 SER CB . 11139 1 1099 . 1 1 92 92 SER N N 15 116.081 0.300 . 1 . . . . 92 SER N . 11139 1 1100 . 1 1 93 93 SER H H 1 8.241 0.030 . 1 . . . . 93 SER H . 11139 1 1101 . 1 1 93 93 SER HA H 1 4.380 0.030 . 1 . . . . 93 SER HA . 11139 1 1102 . 1 1 93 93 SER HB2 H 1 3.784 0.030 . 2 . . . . 93 SER HB2 . 11139 1 1103 . 1 1 93 93 SER C C 13 171.603 0.300 . 1 . . . . 93 SER C . 11139 1 1104 . 1 1 93 93 SER CA C 13 56.019 0.300 . 1 . . . . 93 SER CA . 11139 1 1105 . 1 1 93 93 SER CB C 13 61.663 0.300 . 1 . . . . 93 SER CB . 11139 1 1106 . 1 1 93 93 SER N N 15 117.487 0.300 . 1 . . . . 93 SER N . 11139 1 1107 . 1 1 94 94 GLY H H 1 7.962 0.030 . 1 . . . . 94 GLY H . 11139 1 1108 . 1 1 94 94 GLY HA2 H 1 3.692 0.030 . 2 . . . . 94 GLY HA2 . 11139 1 1109 . 1 1 94 94 GLY HA3 H 1 3.645 0.030 . 2 . . . . 94 GLY HA3 . 11139 1 1110 . 1 1 94 94 GLY C C 13 176.698 0.300 . 1 . . . . 94 GLY C . 11139 1 1111 . 1 1 94 94 GLY CA C 13 43.848 0.300 . 1 . . . . 94 GLY CA . 11139 1 1112 . 1 1 94 94 GLY N N 15 116.467 0.300 . 1 . . . . 94 GLY N . 11139 1 stop_ save_