data_11138 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11138 _Entry.Title ; Solution structure of the 13th 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 . . . 11138 2 T. Kigawa . . . 11138 3 S. Koshiba . . . 11138 4 M. Inoue . . . 11138 5 S. Yokoyama . . . 11138 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)' . 11138 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11138 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 398 11138 '15N chemical shifts' 95 11138 '1H chemical shifts' 636 11138 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 . 11138 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CTL 'BMRB Entry Tracking System' 11138 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11138 _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 13th 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 . . . 11138 1 2 T. Kigawa . . . 11138 1 3 S. Koshiba . . . 11138 1 4 M. Inoue . . . 11138 1 5 S. Yokoyama . . . 11138 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11138 _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 . . . 11138 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 2ctl . . . . . . 11138 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11138 _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 ; GSSGSSGEQEDRALRSFKLS VTVDPKYHPKIIGRKGAVIT QIRLEHDVNIQFPDKDDGNQ PQDQITITGYEKNTEAARDA ILRIVGELEQMSGPSSG ; _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 97 _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 2CTL . "Solution Structure Of The 13th Kh Type I Domain From Human Vigilin" . . . . . 100.00 97 100.00 100.00 5.07e-63 . . . . 11138 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'KH domain' . 11138 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 . 11138 1 2 . SER . 11138 1 3 . SER . 11138 1 4 . GLY . 11138 1 5 . SER . 11138 1 6 . SER . 11138 1 7 . GLY . 11138 1 8 . GLU . 11138 1 9 . GLN . 11138 1 10 . GLU . 11138 1 11 . ASP . 11138 1 12 . ARG . 11138 1 13 . ALA . 11138 1 14 . LEU . 11138 1 15 . ARG . 11138 1 16 . SER . 11138 1 17 . PHE . 11138 1 18 . LYS . 11138 1 19 . LEU . 11138 1 20 . SER . 11138 1 21 . VAL . 11138 1 22 . THR . 11138 1 23 . VAL . 11138 1 24 . ASP . 11138 1 25 . PRO . 11138 1 26 . LYS . 11138 1 27 . TYR . 11138 1 28 . HIS . 11138 1 29 . PRO . 11138 1 30 . LYS . 11138 1 31 . ILE . 11138 1 32 . ILE . 11138 1 33 . GLY . 11138 1 34 . ARG . 11138 1 35 . LYS . 11138 1 36 . GLY . 11138 1 37 . ALA . 11138 1 38 . VAL . 11138 1 39 . ILE . 11138 1 40 . THR . 11138 1 41 . GLN . 11138 1 42 . ILE . 11138 1 43 . ARG . 11138 1 44 . LEU . 11138 1 45 . GLU . 11138 1 46 . HIS . 11138 1 47 . ASP . 11138 1 48 . VAL . 11138 1 49 . ASN . 11138 1 50 . ILE . 11138 1 51 . GLN . 11138 1 52 . PHE . 11138 1 53 . PRO . 11138 1 54 . ASP . 11138 1 55 . LYS . 11138 1 56 . ASP . 11138 1 57 . ASP . 11138 1 58 . GLY . 11138 1 59 . ASN . 11138 1 60 . GLN . 11138 1 61 . PRO . 11138 1 62 . GLN . 11138 1 63 . ASP . 11138 1 64 . GLN . 11138 1 65 . ILE . 11138 1 66 . THR . 11138 1 67 . ILE . 11138 1 68 . THR . 11138 1 69 . GLY . 11138 1 70 . TYR . 11138 1 71 . GLU . 11138 1 72 . LYS . 11138 1 73 . ASN . 11138 1 74 . THR . 11138 1 75 . GLU . 11138 1 76 . ALA . 11138 1 77 . ALA . 11138 1 78 . ARG . 11138 1 79 . ASP . 11138 1 80 . ALA . 11138 1 81 . ILE . 11138 1 82 . LEU . 11138 1 83 . ARG . 11138 1 84 . ILE . 11138 1 85 . VAL . 11138 1 86 . GLY . 11138 1 87 . GLU . 11138 1 88 . LEU . 11138 1 89 . GLU . 11138 1 90 . GLN . 11138 1 91 . MET . 11138 1 92 . SER . 11138 1 93 . GLY . 11138 1 94 . PRO . 11138 1 95 . SER . 11138 1 96 . SER . 11138 1 97 . GLY . 11138 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 11138 1 . SER 2 2 11138 1 . SER 3 3 11138 1 . GLY 4 4 11138 1 . SER 5 5 11138 1 . SER 6 6 11138 1 . GLY 7 7 11138 1 . GLU 8 8 11138 1 . GLN 9 9 11138 1 . GLU 10 10 11138 1 . ASP 11 11 11138 1 . ARG 12 12 11138 1 . ALA 13 13 11138 1 . LEU 14 14 11138 1 . ARG 15 15 11138 1 . SER 16 16 11138 1 . PHE 17 17 11138 1 . LYS 18 18 11138 1 . LEU 19 19 11138 1 . SER 20 20 11138 1 . VAL 21 21 11138 1 . THR 22 22 11138 1 . VAL 23 23 11138 1 . ASP 24 24 11138 1 . PRO 25 25 11138 1 . LYS 26 26 11138 1 . TYR 27 27 11138 1 . HIS 28 28 11138 1 . PRO 29 29 11138 1 . LYS 30 30 11138 1 . ILE 31 31 11138 1 . ILE 32 32 11138 1 . GLY 33 33 11138 1 . ARG 34 34 11138 1 . LYS 35 35 11138 1 . GLY 36 36 11138 1 . ALA 37 37 11138 1 . VAL 38 38 11138 1 . ILE 39 39 11138 1 . THR 40 40 11138 1 . GLN 41 41 11138 1 . ILE 42 42 11138 1 . ARG 43 43 11138 1 . LEU 44 44 11138 1 . GLU 45 45 11138 1 . HIS 46 46 11138 1 . ASP 47 47 11138 1 . VAL 48 48 11138 1 . ASN 49 49 11138 1 . ILE 50 50 11138 1 . GLN 51 51 11138 1 . PHE 52 52 11138 1 . PRO 53 53 11138 1 . ASP 54 54 11138 1 . LYS 55 55 11138 1 . ASP 56 56 11138 1 . ASP 57 57 11138 1 . GLY 58 58 11138 1 . ASN 59 59 11138 1 . GLN 60 60 11138 1 . PRO 61 61 11138 1 . GLN 62 62 11138 1 . ASP 63 63 11138 1 . GLN 64 64 11138 1 . ILE 65 65 11138 1 . THR 66 66 11138 1 . ILE 67 67 11138 1 . THR 68 68 11138 1 . GLY 69 69 11138 1 . TYR 70 70 11138 1 . GLU 71 71 11138 1 . LYS 72 72 11138 1 . ASN 73 73 11138 1 . THR 74 74 11138 1 . GLU 75 75 11138 1 . ALA 76 76 11138 1 . ALA 77 77 11138 1 . ARG 78 78 11138 1 . ASP 79 79 11138 1 . ALA 80 80 11138 1 . ILE 81 81 11138 1 . LEU 82 82 11138 1 . ARG 83 83 11138 1 . ILE 84 84 11138 1 . VAL 85 85 11138 1 . GLY 86 86 11138 1 . GLU 87 87 11138 1 . LEU 88 88 11138 1 . GLU 89 89 11138 1 . GLN 90 90 11138 1 . MET 91 91 11138 1 . SER 92 92 11138 1 . GLY 93 93 11138 1 . PRO 94 94 11138 1 . SER 95 95 11138 1 . SER 96 96 11138 1 . GLY 97 97 11138 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 11138 _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 . . . . . . . . . . . . . . . . . . . . . 11138 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 11138 _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 . . . . . . . . . . . . . . . . P050131-15 . . . . . . 11138 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11138 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.38mM KH domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 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 1.38 . . mM . . . . 11138 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11138 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11138 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11138 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11138 1 6 H2O . . . . . . solvent 90 . . % . . . . 11138 1 7 D2O . . . . . . solvent 10 . . % . . . . 11138 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 11138 _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 11138 1 pH 7.0 0.05 pH 11138 1 pressure 1 0.001 atm 11138 1 temperature 296 0.1 K 11138 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11138 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11138 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11138 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11138 _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.' . . 11138 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11138 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11138 _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.' . . 11138 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11138 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11138 _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 'Kobayashi, N.' . . 11138 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11138 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11138 _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.' . . 11138 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11138 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 11138 _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 11138 _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 . . . 11138 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 11138 _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 . . . . . . . . . . . . . . . . 11138 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11138 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 11138 _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 . . . . . . . . . 11138 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11138 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11138 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 11138 _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 11138 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11138 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 . . 11138 1 2 $NMRPipe . . 11138 1 3 $NMRview . . 11138 1 4 $Kujira . . 11138 1 5 $CYANA . . 11138 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.389 0.030 . 1 . . . . 6 SER HA . 11138 1 2 . 1 1 6 6 SER HB2 H 1 3.817 0.030 . 2 . . . . 6 SER HB2 . 11138 1 3 . 1 1 6 6 SER C C 13 172.920 0.300 . 1 . . . . 6 SER C . 11138 1 4 . 1 1 6 6 SER CA C 13 56.507 0.300 . 1 . . . . 6 SER CA . 11138 1 5 . 1 1 6 6 SER CB C 13 61.445 0.300 . 1 . . . . 6 SER CB . 11138 1 6 . 1 1 7 7 GLY H H 1 8.379 0.030 . 1 . . . . 7 GLY H . 11138 1 7 . 1 1 7 7 GLY HA2 H 1 3.906 0.030 . 1 . . . . 7 GLY HA2 . 11138 1 8 . 1 1 7 7 GLY HA3 H 1 3.906 0.030 . 1 . . . . 7 GLY HA3 . 11138 1 9 . 1 1 7 7 GLY C C 13 172.309 0.300 . 1 . . . . 7 GLY C . 11138 1 10 . 1 1 7 7 GLY CA C 13 43.223 0.300 . 1 . . . . 7 GLY CA . 11138 1 11 . 1 1 7 7 GLY N N 15 110.518 0.300 . 1 . . . . 7 GLY N . 11138 1 12 . 1 1 8 8 GLU H H 1 8.225 0.030 . 1 . . . . 8 GLU H . 11138 1 13 . 1 1 8 8 GLU HA H 1 4.155 0.030 . 1 . . . . 8 GLU HA . 11138 1 14 . 1 1 8 8 GLU HB2 H 1 1.884 0.030 . 2 . . . . 8 GLU HB2 . 11138 1 15 . 1 1 8 8 GLU HB3 H 1 1.965 0.030 . 2 . . . . 8 GLU HB3 . 11138 1 16 . 1 1 8 8 GLU HG2 H 1 2.174 0.030 . 1 . . . . 8 GLU HG2 . 11138 1 17 . 1 1 8 8 GLU HG3 H 1 2.174 0.030 . 1 . . . . 8 GLU HG3 . 11138 1 18 . 1 1 8 8 GLU C C 13 174.906 0.300 . 1 . . . . 8 GLU C . 11138 1 19 . 1 1 8 8 GLU CA C 13 54.936 0.300 . 1 . . . . 8 GLU CA . 11138 1 20 . 1 1 8 8 GLU CB C 13 27.627 0.300 . 1 . . . . 8 GLU CB . 11138 1 21 . 1 1 8 8 GLU CG C 13 34.025 0.300 . 1 . . . . 8 GLU CG . 11138 1 22 . 1 1 8 8 GLU N N 15 120.670 0.300 . 1 . . . . 8 GLU N . 11138 1 23 . 1 1 9 9 GLN H H 1 8.361 0.030 . 1 . . . . 9 GLN H . 11138 1 24 . 1 1 9 9 GLN HA H 1 4.135 0.030 . 1 . . . . 9 GLN HA . 11138 1 25 . 1 1 9 9 GLN HB2 H 1 2.028 0.030 . 2 . . . . 9 GLN HB2 . 11138 1 26 . 1 1 9 9 GLN HB3 H 1 1.936 0.030 . 2 . . . . 9 GLN HB3 . 11138 1 27 . 1 1 9 9 GLN HE21 H 1 6.762 0.030 . 2 . . . . 9 GLN HE21 . 11138 1 28 . 1 1 9 9 GLN HE22 H 1 7.465 0.030 . 2 . . . . 9 GLN HE22 . 11138 1 29 . 1 1 9 9 GLN HG2 H 1 2.296 0.030 . 1 . . . . 9 GLN HG2 . 11138 1 30 . 1 1 9 9 GLN HG3 H 1 2.296 0.030 . 1 . . . . 9 GLN HG3 . 11138 1 31 . 1 1 9 9 GLN C C 13 174.626 0.300 . 1 . . . . 9 GLN C . 11138 1 32 . 1 1 9 9 GLN CA C 13 54.520 0.300 . 1 . . . . 9 GLN CA . 11138 1 33 . 1 1 9 9 GLN CB C 13 26.833 0.300 . 1 . . . . 9 GLN CB . 11138 1 34 . 1 1 9 9 GLN CG C 13 31.528 0.300 . 1 . . . . 9 GLN CG . 11138 1 35 . 1 1 9 9 GLN N N 15 119.991 0.300 . 1 . . . . 9 GLN N . 11138 1 36 . 1 1 9 9 GLN NE2 N 15 112.223 0.300 . 1 . . . . 9 GLN NE2 . 11138 1 37 . 1 1 10 10 GLU H H 1 8.364 0.030 . 1 . . . . 10 GLU H . 11138 1 38 . 1 1 10 10 GLU HA H 1 4.114 0.030 . 1 . . . . 10 GLU HA . 11138 1 39 . 1 1 10 10 GLU HB2 H 1 1.964 0.030 . 1 . . . . 10 GLU HB2 . 11138 1 40 . 1 1 10 10 GLU HB3 H 1 1.964 0.030 . 1 . . . . 10 GLU HB3 . 11138 1 41 . 1 1 10 10 GLU HG2 H 1 2.196 0.030 . 1 . . . . 10 GLU HG2 . 11138 1 42 . 1 1 10 10 GLU HG3 H 1 2.196 0.030 . 1 . . . . 10 GLU HG3 . 11138 1 43 . 1 1 10 10 GLU C C 13 174.764 0.300 . 1 . . . . 10 GLU C . 11138 1 44 . 1 1 10 10 GLU CA C 13 55.397 0.300 . 1 . . . . 10 GLU CA . 11138 1 45 . 1 1 10 10 GLU CB C 13 27.623 0.300 . 1 . . . . 10 GLU CB . 11138 1 46 . 1 1 10 10 GLU CG C 13 34.131 0.300 . 1 . . . . 10 GLU CG . 11138 1 47 . 1 1 10 10 GLU N N 15 121.532 0.300 . 1 . . . . 10 GLU N . 11138 1 48 . 1 1 11 11 ASP H H 1 8.311 0.030 . 1 . . . . 11 ASP H . 11138 1 49 . 1 1 11 11 ASP HA H 1 4.470 0.030 . 1 . . . . 11 ASP HA . 11138 1 50 . 1 1 11 11 ASP HB2 H 1 2.640 0.030 . 1 . . . . 11 ASP HB2 . 11138 1 51 . 1 1 11 11 ASP HB3 H 1 2.640 0.030 . 1 . . . . 11 ASP HB3 . 11138 1 52 . 1 1 11 11 ASP C C 13 174.971 0.300 . 1 . . . . 11 ASP C . 11138 1 53 . 1 1 11 11 ASP CA C 13 53.688 0.300 . 1 . . . . 11 ASP CA . 11138 1 54 . 1 1 11 11 ASP CB C 13 39.120 0.300 . 1 . . . . 11 ASP CB . 11138 1 55 . 1 1 11 11 ASP N N 15 121.005 0.300 . 1 . . . . 11 ASP N . 11138 1 56 . 1 1 12 12 ARG H H 1 8.194 0.030 . 1 . . . . 12 ARG H . 11138 1 57 . 1 1 12 12 ARG HA H 1 3.930 0.030 . 1 . . . . 12 ARG HA . 11138 1 58 . 1 1 12 12 ARG HB2 H 1 1.762 0.030 . 1 . . . . 12 ARG HB2 . 11138 1 59 . 1 1 12 12 ARG HB3 H 1 1.762 0.030 . 1 . . . . 12 ARG HB3 . 11138 1 60 . 1 1 12 12 ARG HD2 H 1 3.084 0.030 . 2 . . . . 12 ARG HD2 . 11138 1 61 . 1 1 12 12 ARG HD3 H 1 3.150 0.030 . 2 . . . . 12 ARG HD3 . 11138 1 62 . 1 1 12 12 ARG HG2 H 1 1.510 0.030 . 2 . . . . 12 ARG HG2 . 11138 1 63 . 1 1 12 12 ARG HG3 H 1 1.599 0.030 . 2 . . . . 12 ARG HG3 . 11138 1 64 . 1 1 12 12 ARG C C 13 175.524 0.300 . 1 . . . . 12 ARG C . 11138 1 65 . 1 1 12 12 ARG CA C 13 55.868 0.300 . 1 . . . . 12 ARG CA . 11138 1 66 . 1 1 12 12 ARG CB C 13 27.693 0.300 . 1 . . . . 12 ARG CB . 11138 1 67 . 1 1 12 12 ARG CD C 13 41.012 0.300 . 1 . . . . 12 ARG CD . 11138 1 68 . 1 1 12 12 ARG CG C 13 24.946 0.300 . 1 . . . . 12 ARG CG . 11138 1 69 . 1 1 12 12 ARG N N 15 119.961 0.300 . 1 . . . . 12 ARG N . 11138 1 70 . 1 1 13 13 ALA H H 1 7.985 0.030 . 1 . . . . 13 ALA H . 11138 1 71 . 1 1 13 13 ALA HA H 1 4.108 0.030 . 1 . . . . 13 ALA HA . 11138 1 72 . 1 1 13 13 ALA HB1 H 1 1.383 0.030 . 1 . . . . 13 ALA HB . 11138 1 73 . 1 1 13 13 ALA HB2 H 1 1.383 0.030 . 1 . . . . 13 ALA HB . 11138 1 74 . 1 1 13 13 ALA HB3 H 1 1.383 0.030 . 1 . . . . 13 ALA HB . 11138 1 75 . 1 1 13 13 ALA C C 13 177.756 0.300 . 1 . . . . 13 ALA C . 11138 1 76 . 1 1 13 13 ALA CA C 13 51.734 0.300 . 1 . . . . 13 ALA CA . 11138 1 77 . 1 1 13 13 ALA CB C 13 16.123 0.300 . 1 . . . . 13 ALA CB . 11138 1 78 . 1 1 13 13 ALA N N 15 122.032 0.300 . 1 . . . . 13 ALA N . 11138 1 79 . 1 1 14 14 LEU H H 1 7.994 0.030 . 1 . . . . 14 LEU H . 11138 1 80 . 1 1 14 14 LEU HA H 1 4.200 0.030 . 1 . . . . 14 LEU HA . 11138 1 81 . 1 1 14 14 LEU HB2 H 1 1.920 0.030 . 2 . . . . 14 LEU HB2 . 11138 1 82 . 1 1 14 14 LEU HB3 H 1 1.596 0.030 . 2 . . . . 14 LEU HB3 . 11138 1 83 . 1 1 14 14 LEU HD11 H 1 0.908 0.030 . 1 . . . . 14 LEU HD1 . 11138 1 84 . 1 1 14 14 LEU HD12 H 1 0.908 0.030 . 1 . . . . 14 LEU HD1 . 11138 1 85 . 1 1 14 14 LEU HD13 H 1 0.908 0.030 . 1 . . . . 14 LEU HD1 . 11138 1 86 . 1 1 14 14 LEU HD21 H 1 0.847 0.030 . 1 . . . . 14 LEU HD2 . 11138 1 87 . 1 1 14 14 LEU HD22 H 1 0.847 0.030 . 1 . . . . 14 LEU HD2 . 11138 1 88 . 1 1 14 14 LEU HD23 H 1 0.847 0.030 . 1 . . . . 14 LEU HD2 . 11138 1 89 . 1 1 14 14 LEU HG H 1 1.724 0.030 . 1 . . . . 14 LEU HG . 11138 1 90 . 1 1 14 14 LEU C C 13 175.901 0.300 . 1 . . . . 14 LEU C . 11138 1 91 . 1 1 14 14 LEU CA C 13 54.489 0.300 . 1 . . . . 14 LEU CA . 11138 1 92 . 1 1 14 14 LEU CB C 13 39.563 0.300 . 1 . . . . 14 LEU CB . 11138 1 93 . 1 1 14 14 LEU CD1 C 13 23.024 0.300 . 2 . . . . 14 LEU CD1 . 11138 1 94 . 1 1 14 14 LEU CD2 C 13 20.533 0.300 . 2 . . . . 14 LEU CD2 . 11138 1 95 . 1 1 14 14 LEU CG C 13 24.589 0.300 . 1 . . . . 14 LEU CG . 11138 1 96 . 1 1 14 14 LEU N N 15 119.633 0.300 . 1 . . . . 14 LEU N . 11138 1 97 . 1 1 15 15 ARG H H 1 7.806 0.030 . 1 . . . . 15 ARG H . 11138 1 98 . 1 1 15 15 ARG HA H 1 3.757 0.030 . 1 . . . . 15 ARG HA . 11138 1 99 . 1 1 15 15 ARG HB2 H 1 1.458 0.030 . 2 . . . . 15 ARG HB2 . 11138 1 100 . 1 1 15 15 ARG HB3 H 1 1.557 0.030 . 2 . . . . 15 ARG HB3 . 11138 1 101 . 1 1 15 15 ARG HD2 H 1 2.916 0.030 . 1 . . . . 15 ARG HD2 . 11138 1 102 . 1 1 15 15 ARG HD3 H 1 2.916 0.030 . 1 . . . . 15 ARG HD3 . 11138 1 103 . 1 1 15 15 ARG HG2 H 1 1.237 0.030 . 2 . . . . 15 ARG HG2 . 11138 1 104 . 1 1 15 15 ARG HG3 H 1 1.206 0.030 . 2 . . . . 15 ARG HG3 . 11138 1 105 . 1 1 15 15 ARG C C 13 173.012 0.300 . 1 . . . . 15 ARG C . 11138 1 106 . 1 1 15 15 ARG CA C 13 53.720 0.300 . 1 . . . . 15 ARG CA . 11138 1 107 . 1 1 15 15 ARG CB C 13 28.008 0.300 . 1 . . . . 15 ARG CB . 11138 1 108 . 1 1 15 15 ARG CD C 13 41.237 0.300 . 1 . . . . 15 ARG CD . 11138 1 109 . 1 1 15 15 ARG CG C 13 25.605 0.300 . 1 . . . . 15 ARG CG . 11138 1 110 . 1 1 15 15 ARG N N 15 117.297 0.300 . 1 . . . . 15 ARG N . 11138 1 111 . 1 1 16 16 SER H H 1 7.446 0.030 . 1 . . . . 16 SER H . 11138 1 112 . 1 1 16 16 SER HA H 1 4.295 0.030 . 1 . . . . 16 SER HA . 11138 1 113 . 1 1 16 16 SER HB2 H 1 3.754 0.030 . 2 . . . . 16 SER HB2 . 11138 1 114 . 1 1 16 16 SER HB3 H 1 3.809 0.030 . 2 . . . . 16 SER HB3 . 11138 1 115 . 1 1 16 16 SER C C 13 171.204 0.300 . 1 . . . . 16 SER C . 11138 1 116 . 1 1 16 16 SER CA C 13 55.235 0.300 . 1 . . . . 16 SER CA . 11138 1 117 . 1 1 16 16 SER CB C 13 61.322 0.300 . 1 . . . . 16 SER CB . 11138 1 118 . 1 1 16 16 SER N N 15 113.144 0.300 . 1 . . . . 16 SER N . 11138 1 119 . 1 1 17 17 PHE H H 1 7.598 0.030 . 1 . . . . 17 PHE H . 11138 1 120 . 1 1 17 17 PHE HA H 1 4.101 0.030 . 1 . . . . 17 PHE HA . 11138 1 121 . 1 1 17 17 PHE HB2 H 1 3.492 0.030 . 2 . . . . 17 PHE HB2 . 11138 1 122 . 1 1 17 17 PHE HB3 H 1 3.008 0.030 . 2 . . . . 17 PHE HB3 . 11138 1 123 . 1 1 17 17 PHE HD1 H 1 7.213 0.030 . 1 . . . . 17 PHE HD1 . 11138 1 124 . 1 1 17 17 PHE HD2 H 1 7.213 0.030 . 1 . . . . 17 PHE HD2 . 11138 1 125 . 1 1 17 17 PHE HE1 H 1 7.234 0.030 . 1 . . . . 17 PHE HE1 . 11138 1 126 . 1 1 17 17 PHE HE2 H 1 7.234 0.030 . 1 . . . . 17 PHE HE2 . 11138 1 127 . 1 1 17 17 PHE HZ H 1 7.175 0.030 . 1 . . . . 17 PHE HZ . 11138 1 128 . 1 1 17 17 PHE C C 13 170.409 0.300 . 1 . . . . 17 PHE C . 11138 1 129 . 1 1 17 17 PHE CA C 13 57.545 0.300 . 1 . . . . 17 PHE CA . 11138 1 130 . 1 1 17 17 PHE CB C 13 37.311 0.300 . 1 . . . . 17 PHE CB . 11138 1 131 . 1 1 17 17 PHE CD1 C 13 129.957 0.300 . 1 . . . . 17 PHE CD1 . 11138 1 132 . 1 1 17 17 PHE CD2 C 13 129.957 0.300 . 1 . . . . 17 PHE CD2 . 11138 1 133 . 1 1 17 17 PHE CE1 C 13 129.271 0.300 . 1 . . . . 17 PHE CE1 . 11138 1 134 . 1 1 17 17 PHE CE2 C 13 129.271 0.300 . 1 . . . . 17 PHE CE2 . 11138 1 135 . 1 1 17 17 PHE CZ C 13 127.745 0.300 . 1 . . . . 17 PHE CZ . 11138 1 136 . 1 1 17 17 PHE N N 15 125.960 0.300 . 1 . . . . 17 PHE N . 11138 1 137 . 1 1 18 18 LYS H H 1 6.977 0.030 . 1 . . . . 18 LYS H . 11138 1 138 . 1 1 18 18 LYS HA H 1 5.046 0.030 . 1 . . . . 18 LYS HA . 11138 1 139 . 1 1 18 18 LYS HB2 H 1 1.314 0.030 . 1 . . . . 18 LYS HB2 . 11138 1 140 . 1 1 18 18 LYS HB3 H 1 1.314 0.030 . 1 . . . . 18 LYS HB3 . 11138 1 141 . 1 1 18 18 LYS HD2 H 1 1.390 0.030 . 1 . . . . 18 LYS HD2 . 11138 1 142 . 1 1 18 18 LYS HD3 H 1 1.390 0.030 . 1 . . . . 18 LYS HD3 . 11138 1 143 . 1 1 18 18 LYS HE2 H 1 2.721 0.030 . 1 . . . . 18 LYS HE2 . 11138 1 144 . 1 1 18 18 LYS HE3 H 1 2.721 0.030 . 1 . . . . 18 LYS HE3 . 11138 1 145 . 1 1 18 18 LYS HG2 H 1 1.028 0.030 . 2 . . . . 18 LYS HG2 . 11138 1 146 . 1 1 18 18 LYS HG3 H 1 1.117 0.030 . 2 . . . . 18 LYS HG3 . 11138 1 147 . 1 1 18 18 LYS C C 13 171.904 0.300 . 1 . . . . 18 LYS C . 11138 1 148 . 1 1 18 18 LYS CA C 13 52.122 0.300 . 1 . . . . 18 LYS CA . 11138 1 149 . 1 1 18 18 LYS CB C 13 33.027 0.300 . 1 . . . . 18 LYS CB . 11138 1 150 . 1 1 18 18 LYS CD C 13 27.029 0.300 . 1 . . . . 18 LYS CD . 11138 1 151 . 1 1 18 18 LYS CE C 13 39.511 0.300 . 1 . . . . 18 LYS CE . 11138 1 152 . 1 1 18 18 LYS CG C 13 22.037 0.300 . 1 . . . . 18 LYS CG . 11138 1 153 . 1 1 18 18 LYS N N 15 123.991 0.300 . 1 . . . . 18 LYS N . 11138 1 154 . 1 1 19 19 LEU H H 1 9.176 0.030 . 1 . . . . 19 LEU H . 11138 1 155 . 1 1 19 19 LEU HA H 1 4.428 0.030 . 1 . . . . 19 LEU HA . 11138 1 156 . 1 1 19 19 LEU HB2 H 1 1.552 0.030 . 2 . . . . 19 LEU HB2 . 11138 1 157 . 1 1 19 19 LEU HB3 H 1 1.624 0.030 . 2 . . . . 19 LEU HB3 . 11138 1 158 . 1 1 19 19 LEU HD11 H 1 0.894 0.030 . 1 . . . . 19 LEU HD1 . 11138 1 159 . 1 1 19 19 LEU HD12 H 1 0.894 0.030 . 1 . . . . 19 LEU HD1 . 11138 1 160 . 1 1 19 19 LEU HD13 H 1 0.894 0.030 . 1 . . . . 19 LEU HD1 . 11138 1 161 . 1 1 19 19 LEU HD21 H 1 0.722 0.030 . 1 . . . . 19 LEU HD2 . 11138 1 162 . 1 1 19 19 LEU HD22 H 1 0.722 0.030 . 1 . . . . 19 LEU HD2 . 11138 1 163 . 1 1 19 19 LEU HD23 H 1 0.722 0.030 . 1 . . . . 19 LEU HD2 . 11138 1 164 . 1 1 19 19 LEU HG H 1 1.450 0.030 . 1 . . . . 19 LEU HG . 11138 1 165 . 1 1 19 19 LEU C C 13 172.867 0.300 . 1 . . . . 19 LEU C . 11138 1 166 . 1 1 19 19 LEU CA C 13 51.150 0.300 . 1 . . . . 19 LEU CA . 11138 1 167 . 1 1 19 19 LEU CB C 13 43.368 0.300 . 1 . . . . 19 LEU CB . 11138 1 168 . 1 1 19 19 LEU CD1 C 13 21.871 0.300 . 2 . . . . 19 LEU CD1 . 11138 1 169 . 1 1 19 19 LEU CD2 C 13 23.890 0.300 . 2 . . . . 19 LEU CD2 . 11138 1 170 . 1 1 19 19 LEU CG C 13 24.811 0.300 . 1 . . . . 19 LEU CG . 11138 1 171 . 1 1 19 19 LEU N N 15 127.024 0.300 . 1 . . . . 19 LEU N . 11138 1 172 . 1 1 20 20 SER H H 1 8.443 0.030 . 1 . . . . 20 SER H . 11138 1 173 . 1 1 20 20 SER HA H 1 5.159 0.030 . 1 . . . . 20 SER HA . 11138 1 174 . 1 1 20 20 SER HB2 H 1 3.616 0.030 . 2 . . . . 20 SER HB2 . 11138 1 175 . 1 1 20 20 SER HB3 H 1 3.434 0.030 . 2 . . . . 20 SER HB3 . 11138 1 176 . 1 1 20 20 SER C C 13 171.305 0.300 . 1 . . . . 20 SER C . 11138 1 177 . 1 1 20 20 SER CA C 13 54.975 0.300 . 1 . . . . 20 SER CA . 11138 1 178 . 1 1 20 20 SER CB C 13 62.314 0.300 . 1 . . . . 20 SER CB . 11138 1 179 . 1 1 20 20 SER N N 15 119.798 0.300 . 1 . . . . 20 SER N . 11138 1 180 . 1 1 21 21 VAL H H 1 9.019 0.030 . 1 . . . . 21 VAL H . 11138 1 181 . 1 1 21 21 VAL HA H 1 4.264 0.030 . 1 . . . . 21 VAL HA . 11138 1 182 . 1 1 21 21 VAL HB H 1 1.693 0.030 . 1 . . . . 21 VAL HB . 11138 1 183 . 1 1 21 21 VAL HG11 H 1 0.719 0.030 . 1 . . . . 21 VAL HG1 . 11138 1 184 . 1 1 21 21 VAL HG12 H 1 0.719 0.030 . 1 . . . . 21 VAL HG1 . 11138 1 185 . 1 1 21 21 VAL HG13 H 1 0.719 0.030 . 1 . . . . 21 VAL HG1 . 11138 1 186 . 1 1 21 21 VAL HG21 H 1 0.724 0.030 . 1 . . . . 21 VAL HG2 . 11138 1 187 . 1 1 21 21 VAL HG22 H 1 0.724 0.030 . 1 . . . . 21 VAL HG2 . 11138 1 188 . 1 1 21 21 VAL HG23 H 1 0.724 0.030 . 1 . . . . 21 VAL HG2 . 11138 1 189 . 1 1 21 21 VAL C C 13 171.691 0.300 . 1 . . . . 21 VAL C . 11138 1 190 . 1 1 21 21 VAL CA C 13 57.878 0.300 . 1 . . . . 21 VAL CA . 11138 1 191 . 1 1 21 21 VAL CB C 13 32.526 0.300 . 1 . . . . 21 VAL CB . 11138 1 192 . 1 1 21 21 VAL CG1 C 13 18.569 0.300 . 2 . . . . 21 VAL CG1 . 11138 1 193 . 1 1 21 21 VAL CG2 C 13 19.448 0.300 . 2 . . . . 21 VAL CG2 . 11138 1 194 . 1 1 21 21 VAL N N 15 125.040 0.300 . 1 . . . . 21 VAL N . 11138 1 195 . 1 1 22 22 THR H H 1 8.428 0.030 . 1 . . . . 22 THR H . 11138 1 196 . 1 1 22 22 THR HA H 1 4.894 0.030 . 1 . . . . 22 THR HA . 11138 1 197 . 1 1 22 22 THR HB H 1 3.943 0.030 . 1 . . . . 22 THR HB . 11138 1 198 . 1 1 22 22 THR HG21 H 1 1.057 0.030 . 1 . . . . 22 THR HG2 . 11138 1 199 . 1 1 22 22 THR HG22 H 1 1.057 0.030 . 1 . . . . 22 THR HG2 . 11138 1 200 . 1 1 22 22 THR HG23 H 1 1.057 0.030 . 1 . . . . 22 THR HG2 . 11138 1 201 . 1 1 22 22 THR C C 13 172.405 0.300 . 1 . . . . 22 THR C . 11138 1 202 . 1 1 22 22 THR CA C 13 59.939 0.300 . 1 . . . . 22 THR CA . 11138 1 203 . 1 1 22 22 THR CB C 13 66.659 0.300 . 1 . . . . 22 THR CB . 11138 1 204 . 1 1 22 22 THR CG2 C 13 19.129 0.300 . 1 . . . . 22 THR CG2 . 11138 1 205 . 1 1 22 22 THR N N 15 124.718 0.300 . 1 . . . . 22 THR N . 11138 1 206 . 1 1 23 23 VAL H H 1 8.928 0.030 . 1 . . . . 23 VAL H . 11138 1 207 . 1 1 23 23 VAL HA H 1 4.095 0.030 . 1 . . . . 23 VAL HA . 11138 1 208 . 1 1 23 23 VAL HB H 1 1.633 0.030 . 1 . . . . 23 VAL HB . 11138 1 209 . 1 1 23 23 VAL HG11 H 1 1.094 0.030 . 1 . . . . 23 VAL HG1 . 11138 1 210 . 1 1 23 23 VAL HG12 H 1 1.094 0.030 . 1 . . . . 23 VAL HG1 . 11138 1 211 . 1 1 23 23 VAL HG13 H 1 1.094 0.030 . 1 . . . . 23 VAL HG1 . 11138 1 212 . 1 1 23 23 VAL HG21 H 1 0.683 0.030 . 1 . . . . 23 VAL HG2 . 11138 1 213 . 1 1 23 23 VAL HG22 H 1 0.683 0.030 . 1 . . . . 23 VAL HG2 . 11138 1 214 . 1 1 23 23 VAL HG23 H 1 0.683 0.030 . 1 . . . . 23 VAL HG2 . 11138 1 215 . 1 1 23 23 VAL C C 13 172.341 0.300 . 1 . . . . 23 VAL C . 11138 1 216 . 1 1 23 23 VAL CA C 13 58.944 0.300 . 1 . . . . 23 VAL CA . 11138 1 217 . 1 1 23 23 VAL CB C 13 34.422 0.300 . 1 . . . . 23 VAL CB . 11138 1 218 . 1 1 23 23 VAL CG1 C 13 20.128 0.300 . 2 . . . . 23 VAL CG1 . 11138 1 219 . 1 1 23 23 VAL CG2 C 13 19.669 0.300 . 2 . . . . 23 VAL CG2 . 11138 1 220 . 1 1 23 23 VAL N N 15 127.265 0.300 . 1 . . . . 23 VAL N . 11138 1 221 . 1 1 24 24 ASP H H 1 9.202 0.030 . 1 . . . . 24 ASP H . 11138 1 222 . 1 1 24 24 ASP HA H 1 4.519 0.030 . 1 . . . . 24 ASP HA . 11138 1 223 . 1 1 24 24 ASP HB2 H 1 2.562 0.030 . 1 . . . . 24 ASP HB2 . 11138 1 224 . 1 1 24 24 ASP HB3 H 1 2.562 0.030 . 1 . . . . 24 ASP HB3 . 11138 1 225 . 1 1 24 24 ASP C C 13 172.569 0.300 . 1 . . . . 24 ASP C . 11138 1 226 . 1 1 24 24 ASP CA C 13 51.161 0.300 . 1 . . . . 24 ASP CA . 11138 1 227 . 1 1 24 24 ASP CB C 13 40.131 0.300 . 1 . . . . 24 ASP CB . 11138 1 228 . 1 1 24 24 ASP N N 15 131.009 0.300 . 1 . . . . 24 ASP N . 11138 1 229 . 1 1 25 25 PRO HA H 1 2.117 0.030 . 1 . . . . 25 PRO HA . 11138 1 230 . 1 1 25 25 PRO HB2 H 1 1.639 0.030 . 2 . . . . 25 PRO HB2 . 11138 1 231 . 1 1 25 25 PRO HB3 H 1 2.012 0.030 . 2 . . . . 25 PRO HB3 . 11138 1 232 . 1 1 25 25 PRO HD2 H 1 3.509 0.030 . 2 . . . . 25 PRO HD2 . 11138 1 233 . 1 1 25 25 PRO HD3 H 1 3.622 0.030 . 2 . . . . 25 PRO HD3 . 11138 1 234 . 1 1 25 25 PRO HG2 H 1 1.706 0.030 . 2 . . . . 25 PRO HG2 . 11138 1 235 . 1 1 25 25 PRO HG3 H 1 1.768 0.030 . 2 . . . . 25 PRO HG3 . 11138 1 236 . 1 1 25 25 PRO C C 13 176.799 0.300 . 1 . . . . 25 PRO C . 11138 1 237 . 1 1 25 25 PRO CA C 13 61.456 0.300 . 1 . . . . 25 PRO CA . 11138 1 238 . 1 1 25 25 PRO CB C 13 29.714 0.300 . 1 . . . . 25 PRO CB . 11138 1 239 . 1 1 25 25 PRO CD C 13 49.241 0.300 . 1 . . . . 25 PRO CD . 11138 1 240 . 1 1 25 25 PRO CG C 13 24.575 0.300 . 1 . . . . 25 PRO CG . 11138 1 241 . 1 1 26 26 LYS H H 1 8.967 0.030 . 1 . . . . 26 LYS H . 11138 1 242 . 1 1 26 26 LYS HA H 1 3.922 0.030 . 1 . . . . 26 LYS HA . 11138 1 243 . 1 1 26 26 LYS HB2 H 1 1.547 0.030 . 2 . . . . 26 LYS HB2 . 11138 1 244 . 1 1 26 26 LYS HB3 H 1 1.222 0.030 . 2 . . . . 26 LYS HB3 . 11138 1 245 . 1 1 26 26 LYS HD2 H 1 1.235 0.030 . 1 . . . . 26 LYS HD2 . 11138 1 246 . 1 1 26 26 LYS HD3 H 1 1.235 0.030 . 1 . . . . 26 LYS HD3 . 11138 1 247 . 1 1 26 26 LYS HE2 H 1 2.516 0.030 . 2 . . . . 26 LYS HE2 . 11138 1 248 . 1 1 26 26 LYS HE3 H 1 2.431 0.030 . 2 . . . . 26 LYS HE3 . 11138 1 249 . 1 1 26 26 LYS HG2 H 1 0.587 0.030 . 2 . . . . 26 LYS HG2 . 11138 1 250 . 1 1 26 26 LYS HG3 H 1 0.197 0.030 . 2 . . . . 26 LYS HG3 . 11138 1 251 . 1 1 26 26 LYS C C 13 175.817 0.300 . 1 . . . . 26 LYS C . 11138 1 252 . 1 1 26 26 LYS CA C 13 56.067 0.300 . 1 . . . . 26 LYS CA . 11138 1 253 . 1 1 26 26 LYS CB C 13 28.572 0.300 . 1 . . . . 26 LYS CB . 11138 1 254 . 1 1 26 26 LYS CD C 13 27.210 0.300 . 1 . . . . 26 LYS CD . 11138 1 255 . 1 1 26 26 LYS CE C 13 39.566 0.300 . 1 . . . . 26 LYS CE . 11138 1 256 . 1 1 26 26 LYS CG C 13 20.909 0.300 . 1 . . . . 26 LYS CG . 11138 1 257 . 1 1 26 26 LYS N N 15 120.042 0.300 . 1 . . . . 26 LYS N . 11138 1 258 . 1 1 27 27 TYR H H 1 7.996 0.030 . 1 . . . . 27 TYR H . 11138 1 259 . 1 1 27 27 TYR HA H 1 4.664 0.030 . 1 . . . . 27 TYR HA . 11138 1 260 . 1 1 27 27 TYR HB2 H 1 3.165 0.030 . 2 . . . . 27 TYR HB2 . 11138 1 261 . 1 1 27 27 TYR HB3 H 1 2.743 0.030 . 2 . . . . 27 TYR HB3 . 11138 1 262 . 1 1 27 27 TYR HD1 H 1 7.085 0.030 . 1 . . . . 27 TYR HD1 . 11138 1 263 . 1 1 27 27 TYR HD2 H 1 7.085 0.030 . 1 . . . . 27 TYR HD2 . 11138 1 264 . 1 1 27 27 TYR HE1 H 1 6.779 0.030 . 1 . . . . 27 TYR HE1 . 11138 1 265 . 1 1 27 27 TYR HE2 H 1 6.779 0.030 . 1 . . . . 27 TYR HE2 . 11138 1 266 . 1 1 27 27 TYR C C 13 175.129 0.300 . 1 . . . . 27 TYR C . 11138 1 267 . 1 1 27 27 TYR CA C 13 55.009 0.300 . 1 . . . . 27 TYR CA . 11138 1 268 . 1 1 27 27 TYR CB C 13 36.617 0.300 . 1 . . . . 27 TYR CB . 11138 1 269 . 1 1 27 27 TYR CD1 C 13 130.036 0.300 . 1 . . . . 27 TYR CD1 . 11138 1 270 . 1 1 27 27 TYR CD2 C 13 130.036 0.300 . 1 . . . . 27 TYR CD2 . 11138 1 271 . 1 1 27 27 TYR CE1 C 13 116.462 0.300 . 1 . . . . 27 TYR CE1 . 11138 1 272 . 1 1 27 27 TYR CE2 C 13 116.462 0.300 . 1 . . . . 27 TYR CE2 . 11138 1 273 . 1 1 27 27 TYR N N 15 115.393 0.300 . 1 . . . . 27 TYR N . 11138 1 274 . 1 1 28 28 HIS H H 1 7.887 0.030 . 1 . . . . 28 HIS H . 11138 1 275 . 1 1 28 28 HIS HA H 1 4.460 0.030 . 1 . . . . 28 HIS HA . 11138 1 276 . 1 1 28 28 HIS HB2 H 1 3.434 0.030 . 2 . . . . 28 HIS HB2 . 11138 1 277 . 1 1 28 28 HIS HB3 H 1 3.072 0.030 . 2 . . . . 28 HIS HB3 . 11138 1 278 . 1 1 28 28 HIS HD2 H 1 6.535 0.030 . 1 . . . . 28 HIS HD2 . 11138 1 279 . 1 1 28 28 HIS HE1 H 1 7.809 0.030 . 1 . . . . 28 HIS HE1 . 11138 1 280 . 1 1 28 28 HIS C C 13 171.914 0.300 . 1 . . . . 28 HIS C . 11138 1 281 . 1 1 28 28 HIS CA C 13 58.257 0.300 . 1 . . . . 28 HIS CA . 11138 1 282 . 1 1 28 28 HIS CB C 13 26.656 0.300 . 1 . . . . 28 HIS CB . 11138 1 283 . 1 1 28 28 HIS CD2 C 13 113.305 0.300 . 1 . . . . 28 HIS CD2 . 11138 1 284 . 1 1 28 28 HIS CE1 C 13 136.258 0.300 . 1 . . . . 28 HIS CE1 . 11138 1 285 . 1 1 28 28 HIS N N 15 119.452 0.300 . 1 . . . . 28 HIS N . 11138 1 286 . 1 1 29 29 PRO HA H 1 4.211 0.030 . 1 . . . . 29 PRO HA . 11138 1 287 . 1 1 29 29 PRO HB2 H 1 2.305 0.030 . 2 . . . . 29 PRO HB2 . 11138 1 288 . 1 1 29 29 PRO HB3 H 1 1.736 0.030 . 2 . . . . 29 PRO HB3 . 11138 1 289 . 1 1 29 29 PRO HD2 H 1 3.540 0.030 . 2 . . . . 29 PRO HD2 . 11138 1 290 . 1 1 29 29 PRO HD3 H 1 3.771 0.030 . 2 . . . . 29 PRO HD3 . 11138 1 291 . 1 1 29 29 PRO HG2 H 1 1.916 0.030 . 2 . . . . 29 PRO HG2 . 11138 1 292 . 1 1 29 29 PRO HG3 H 1 2.008 0.030 . 2 . . . . 29 PRO HG3 . 11138 1 293 . 1 1 29 29 PRO C C 13 177.247 0.300 . 1 . . . . 29 PRO C . 11138 1 294 . 1 1 29 29 PRO CA C 13 63.846 0.300 . 1 . . . . 29 PRO CA . 11138 1 295 . 1 1 29 29 PRO CB C 13 29.014 0.300 . 1 . . . . 29 PRO CB . 11138 1 296 . 1 1 29 29 PRO CD C 13 48.402 0.300 . 1 . . . . 29 PRO CD . 11138 1 297 . 1 1 29 29 PRO CG C 13 26.096 0.300 . 1 . . . . 29 PRO CG . 11138 1 298 . 1 1 30 30 LYS H H 1 7.109 0.030 . 1 . . . . 30 LYS H . 11138 1 299 . 1 1 30 30 LYS HA H 1 4.125 0.030 . 1 . . . . 30 LYS HA . 11138 1 300 . 1 1 30 30 LYS HB2 H 1 1.853 0.030 . 2 . . . . 30 LYS HB2 . 11138 1 301 . 1 1 30 30 LYS HB3 H 1 1.961 0.030 . 2 . . . . 30 LYS HB3 . 11138 1 302 . 1 1 30 30 LYS HD2 H 1 1.671 0.030 . 1 . . . . 30 LYS HD2 . 11138 1 303 . 1 1 30 30 LYS HD3 H 1 1.671 0.030 . 1 . . . . 30 LYS HD3 . 11138 1 304 . 1 1 30 30 LYS HE2 H 1 2.949 0.030 . 1 . . . . 30 LYS HE2 . 11138 1 305 . 1 1 30 30 LYS HE3 H 1 2.949 0.030 . 1 . . . . 30 LYS HE3 . 11138 1 306 . 1 1 30 30 LYS HG2 H 1 1.449 0.030 . 2 . . . . 30 LYS HG2 . 11138 1 307 . 1 1 30 30 LYS HG3 H 1 1.559 0.030 . 2 . . . . 30 LYS HG3 . 11138 1 308 . 1 1 30 30 LYS C C 13 174.992 0.300 . 1 . . . . 30 LYS C . 11138 1 309 . 1 1 30 30 LYS CA C 13 55.186 0.300 . 1 . . . . 30 LYS CA . 11138 1 310 . 1 1 30 30 LYS CB C 13 30.853 0.300 . 1 . . . . 30 LYS CB . 11138 1 311 . 1 1 30 30 LYS CD C 13 26.924 0.300 . 1 . . . . 30 LYS CD . 11138 1 312 . 1 1 30 30 LYS CE C 13 39.937 0.300 . 1 . . . . 30 LYS CE . 11138 1 313 . 1 1 30 30 LYS CG C 13 23.388 0.300 . 1 . . . . 30 LYS CG . 11138 1 314 . 1 1 30 30 LYS N N 15 115.375 0.300 . 1 . . . . 30 LYS N . 11138 1 315 . 1 1 31 31 ILE H H 1 7.573 0.030 . 1 . . . . 31 ILE H . 11138 1 316 . 1 1 31 31 ILE HA H 1 3.664 0.030 . 1 . . . . 31 ILE HA . 11138 1 317 . 1 1 31 31 ILE HB H 1 1.900 0.030 . 1 . . . . 31 ILE HB . 11138 1 318 . 1 1 31 31 ILE HD11 H 1 0.721 0.030 . 1 . . . . 31 ILE HD1 . 11138 1 319 . 1 1 31 31 ILE HD12 H 1 0.721 0.030 . 1 . . . . 31 ILE HD1 . 11138 1 320 . 1 1 31 31 ILE HD13 H 1 0.721 0.030 . 1 . . . . 31 ILE HD1 . 11138 1 321 . 1 1 31 31 ILE HG12 H 1 0.945 0.030 . 2 . . . . 31 ILE HG12 . 11138 1 322 . 1 1 31 31 ILE HG13 H 1 1.719 0.030 . 2 . . . . 31 ILE HG13 . 11138 1 323 . 1 1 31 31 ILE HG21 H 1 0.873 0.030 . 1 . . . . 31 ILE HG2 . 11138 1 324 . 1 1 31 31 ILE HG22 H 1 0.873 0.030 . 1 . . . . 31 ILE HG2 . 11138 1 325 . 1 1 31 31 ILE HG23 H 1 0.873 0.030 . 1 . . . . 31 ILE HG2 . 11138 1 326 . 1 1 31 31 ILE C C 13 172.446 0.300 . 1 . . . . 31 ILE C . 11138 1 327 . 1 1 31 31 ILE CA C 13 61.317 0.300 . 1 . . . . 31 ILE CA . 11138 1 328 . 1 1 31 31 ILE CB C 13 36.134 0.300 . 1 . . . . 31 ILE CB . 11138 1 329 . 1 1 31 31 ILE CD1 C 13 12.525 0.300 . 1 . . . . 31 ILE CD1 . 11138 1 330 . 1 1 31 31 ILE CG1 C 13 26.123 0.300 . 1 . . . . 31 ILE CG1 . 11138 1 331 . 1 1 31 31 ILE CG2 C 13 16.172 0.300 . 1 . . . . 31 ILE CG2 . 11138 1 332 . 1 1 31 31 ILE N N 15 118.171 0.300 . 1 . . . . 31 ILE N . 11138 1 333 . 1 1 32 32 ILE H H 1 7.428 0.030 . 1 . . . . 32 ILE H . 11138 1 334 . 1 1 32 32 ILE HA H 1 3.521 0.030 . 1 . . . . 32 ILE HA . 11138 1 335 . 1 1 32 32 ILE HB H 1 1.481 0.030 . 1 . . . . 32 ILE HB . 11138 1 336 . 1 1 32 32 ILE HD11 H 1 0.085 0.030 . 1 . . . . 32 ILE HD1 . 11138 1 337 . 1 1 32 32 ILE HD12 H 1 0.085 0.030 . 1 . . . . 32 ILE HD1 . 11138 1 338 . 1 1 32 32 ILE HD13 H 1 0.085 0.030 . 1 . . . . 32 ILE HD1 . 11138 1 339 . 1 1 32 32 ILE HG12 H 1 0.359 0.030 . 2 . . . . 32 ILE HG12 . 11138 1 340 . 1 1 32 32 ILE HG13 H 1 1.120 0.030 . 2 . . . . 32 ILE HG13 . 11138 1 341 . 1 1 32 32 ILE HG21 H 1 0.825 0.030 . 1 . . . . 32 ILE HG2 . 11138 1 342 . 1 1 32 32 ILE HG22 H 1 0.825 0.030 . 1 . . . . 32 ILE HG2 . 11138 1 343 . 1 1 32 32 ILE HG23 H 1 0.825 0.030 . 1 . . . . 32 ILE HG2 . 11138 1 344 . 1 1 32 32 ILE C C 13 176.643 0.300 . 1 . . . . 32 ILE C . 11138 1 345 . 1 1 32 32 ILE CA C 13 62.347 0.300 . 1 . . . . 32 ILE CA . 11138 1 346 . 1 1 32 32 ILE CB C 13 36.858 0.300 . 1 . . . . 32 ILE CB . 11138 1 347 . 1 1 32 32 ILE CD1 C 13 10.276 0.300 . 1 . . . . 32 ILE CD1 . 11138 1 348 . 1 1 32 32 ILE CG1 C 13 27.322 0.300 . 1 . . . . 32 ILE CG1 . 11138 1 349 . 1 1 32 32 ILE CG2 C 13 15.164 0.300 . 1 . . . . 32 ILE CG2 . 11138 1 350 . 1 1 32 32 ILE N N 15 115.600 0.300 . 1 . . . . 32 ILE N . 11138 1 351 . 1 1 33 33 GLY H H 1 7.548 0.030 . 1 . . . . 33 GLY H . 11138 1 352 . 1 1 33 33 GLY HA2 H 1 3.820 0.030 . 2 . . . . 33 GLY HA2 . 11138 1 353 . 1 1 33 33 GLY HA3 H 1 3.957 0.030 . 2 . . . . 33 GLY HA3 . 11138 1 354 . 1 1 33 33 GLY C C 13 172.059 0.300 . 1 . . . . 33 GLY C . 11138 1 355 . 1 1 33 33 GLY CA C 13 41.656 0.300 . 1 . . . . 33 GLY CA . 11138 1 356 . 1 1 33 33 GLY N N 15 103.959 0.300 . 1 . . . . 33 GLY N . 11138 1 357 . 1 1 35 35 LYS HA H 1 4.050 0.030 . 1 . . . . 35 LYS HA . 11138 1 358 . 1 1 35 35 LYS HB2 H 1 1.844 0.030 . 2 . . . . 35 LYS HB2 . 11138 1 359 . 1 1 35 35 LYS HB3 H 1 1.996 0.030 . 2 . . . . 35 LYS HB3 . 11138 1 360 . 1 1 35 35 LYS HD2 H 1 1.624 0.030 . 1 . . . . 35 LYS HD2 . 11138 1 361 . 1 1 35 35 LYS HD3 H 1 1.624 0.030 . 1 . . . . 35 LYS HD3 . 11138 1 362 . 1 1 35 35 LYS HE2 H 1 2.877 0.030 . 1 . . . . 35 LYS HE2 . 11138 1 363 . 1 1 35 35 LYS HE3 H 1 2.877 0.030 . 1 . . . . 35 LYS HE3 . 11138 1 364 . 1 1 35 35 LYS HG2 H 1 1.316 0.030 . 1 . . . . 35 LYS HG2 . 11138 1 365 . 1 1 35 35 LYS HG3 H 1 1.316 0.030 . 1 . . . . 35 LYS HG3 . 11138 1 366 . 1 1 35 35 LYS C C 13 174.473 0.300 . 1 . . . . 35 LYS C . 11138 1 367 . 1 1 35 35 LYS CA C 13 54.447 0.300 . 1 . . . . 35 LYS CA . 11138 1 368 . 1 1 35 35 LYS CB C 13 28.417 0.300 . 1 . . . . 35 LYS CB . 11138 1 369 . 1 1 35 35 LYS CD C 13 26.741 0.300 . 1 . . . . 35 LYS CD . 11138 1 370 . 1 1 35 35 LYS CE C 13 39.788 0.300 . 1 . . . . 35 LYS CE . 11138 1 371 . 1 1 35 35 LYS CG C 13 22.955 0.300 . 1 . . . . 35 LYS CG . 11138 1 372 . 1 1 36 36 GLY H H 1 7.819 0.030 . 1 . . . . 36 GLY H . 11138 1 373 . 1 1 36 36 GLY HA2 H 1 3.925 0.030 . 2 . . . . 36 GLY HA2 . 11138 1 374 . 1 1 36 36 GLY HA3 H 1 3.768 0.030 . 2 . . . . 36 GLY HA3 . 11138 1 375 . 1 1 36 36 GLY C C 13 174.536 0.300 . 1 . . . . 36 GLY C . 11138 1 376 . 1 1 36 36 GLY CA C 13 44.254 0.300 . 1 . . . . 36 GLY CA . 11138 1 377 . 1 1 36 36 GLY N N 15 106.264 0.300 . 1 . . . . 36 GLY N . 11138 1 378 . 1 1 37 37 ALA H H 1 7.918 0.030 . 1 . . . . 37 ALA H . 11138 1 379 . 1 1 37 37 ALA HA H 1 3.987 0.030 . 1 . . . . 37 ALA HA . 11138 1 380 . 1 1 37 37 ALA HB1 H 1 1.443 0.030 . 1 . . . . 37 ALA HB . 11138 1 381 . 1 1 37 37 ALA HB2 H 1 1.443 0.030 . 1 . . . . 37 ALA HB . 11138 1 382 . 1 1 37 37 ALA HB3 H 1 1.443 0.030 . 1 . . . . 37 ALA HB . 11138 1 383 . 1 1 37 37 ALA C C 13 177.892 0.300 . 1 . . . . 37 ALA C . 11138 1 384 . 1 1 37 37 ALA CA C 13 53.191 0.300 . 1 . . . . 37 ALA CA . 11138 1 385 . 1 1 37 37 ALA CB C 13 16.918 0.300 . 1 . . . . 37 ALA CB . 11138 1 386 . 1 1 37 37 ALA N N 15 121.447 0.300 . 1 . . . . 37 ALA N . 11138 1 387 . 1 1 38 38 VAL H H 1 7.613 0.030 . 1 . . . . 38 VAL H . 11138 1 388 . 1 1 38 38 VAL HA H 1 3.744 0.030 . 1 . . . . 38 VAL HA . 11138 1 389 . 1 1 38 38 VAL HB H 1 1.851 0.030 . 1 . . . . 38 VAL HB . 11138 1 390 . 1 1 38 38 VAL HG11 H 1 0.919 0.030 . 1 . . . . 38 VAL HG1 . 11138 1 391 . 1 1 38 38 VAL HG12 H 1 0.919 0.030 . 1 . . . . 38 VAL HG1 . 11138 1 392 . 1 1 38 38 VAL HG13 H 1 0.919 0.030 . 1 . . . . 38 VAL HG1 . 11138 1 393 . 1 1 38 38 VAL HG21 H 1 0.973 0.030 . 1 . . . . 38 VAL HG2 . 11138 1 394 . 1 1 38 38 VAL HG22 H 1 0.973 0.030 . 1 . . . . 38 VAL HG2 . 11138 1 395 . 1 1 38 38 VAL HG23 H 1 0.973 0.030 . 1 . . . . 38 VAL HG2 . 11138 1 396 . 1 1 38 38 VAL C C 13 176.272 0.300 . 1 . . . . 38 VAL C . 11138 1 397 . 1 1 38 38 VAL CA C 13 63.611 0.300 . 1 . . . . 38 VAL CA . 11138 1 398 . 1 1 38 38 VAL CB C 13 28.840 0.300 . 1 . . . . 38 VAL CB . 11138 1 399 . 1 1 38 38 VAL CG1 C 13 19.432 0.300 . 2 . . . . 38 VAL CG1 . 11138 1 400 . 1 1 38 38 VAL CG2 C 13 20.125 0.300 . 2 . . . . 38 VAL CG2 . 11138 1 401 . 1 1 38 38 VAL N N 15 118.007 0.300 . 1 . . . . 38 VAL N . 11138 1 402 . 1 1 39 39 ILE H H 1 7.684 0.030 . 1 . . . . 39 ILE H . 11138 1 403 . 1 1 39 39 ILE HA H 1 4.028 0.030 . 1 . . . . 39 ILE HA . 11138 1 404 . 1 1 39 39 ILE HB H 1 2.245 0.030 . 1 . . . . 39 ILE HB . 11138 1 405 . 1 1 39 39 ILE HD11 H 1 0.859 0.030 . 1 . . . . 39 ILE HD1 . 11138 1 406 . 1 1 39 39 ILE HD12 H 1 0.859 0.030 . 1 . . . . 39 ILE HD1 . 11138 1 407 . 1 1 39 39 ILE HD13 H 1 0.859 0.030 . 1 . . . . 39 ILE HD1 . 11138 1 408 . 1 1 39 39 ILE HG12 H 1 1.424 0.030 . 1 . . . . 39 ILE HG12 . 11138 1 409 . 1 1 39 39 ILE HG13 H 1 1.424 0.030 . 1 . . . . 39 ILE HG13 . 11138 1 410 . 1 1 39 39 ILE HG21 H 1 1.042 0.030 . 1 . . . . 39 ILE HG2 . 11138 1 411 . 1 1 39 39 ILE HG22 H 1 1.042 0.030 . 1 . . . . 39 ILE HG2 . 11138 1 412 . 1 1 39 39 ILE HG23 H 1 1.042 0.030 . 1 . . . . 39 ILE HG2 . 11138 1 413 . 1 1 39 39 ILE C C 13 175.149 0.300 . 1 . . . . 39 ILE C . 11138 1 414 . 1 1 39 39 ILE CA C 13 59.209 0.300 . 1 . . . . 39 ILE CA . 11138 1 415 . 1 1 39 39 ILE CB C 13 34.837 0.300 . 1 . . . . 39 ILE CB . 11138 1 416 . 1 1 39 39 ILE CD1 C 13 11.392 0.300 . 1 . . . . 39 ILE CD1 . 11138 1 417 . 1 1 39 39 ILE CG1 C 13 26.022 0.300 . 1 . . . . 39 ILE CG1 . 11138 1 418 . 1 1 39 39 ILE CG2 C 13 16.339 0.300 . 1 . . . . 39 ILE CG2 . 11138 1 419 . 1 1 39 39 ILE N N 15 119.778 0.300 . 1 . . . . 39 ILE N . 11138 1 420 . 1 1 40 40 THR H H 1 8.017 0.030 . 1 . . . . 40 THR H . 11138 1 421 . 1 1 40 40 THR HA H 1 3.807 0.030 . 1 . . . . 40 THR HA . 11138 1 422 . 1 1 40 40 THR HB H 1 4.109 0.030 . 1 . . . . 40 THR HB . 11138 1 423 . 1 1 40 40 THR HG21 H 1 1.176 0.030 . 1 . . . . 40 THR HG2 . 11138 1 424 . 1 1 40 40 THR HG22 H 1 1.176 0.030 . 1 . . . . 40 THR HG2 . 11138 1 425 . 1 1 40 40 THR HG23 H 1 1.176 0.030 . 1 . . . . 40 THR HG2 . 11138 1 426 . 1 1 40 40 THR C C 13 172.832 0.300 . 1 . . . . 40 THR C . 11138 1 427 . 1 1 40 40 THR CA C 13 64.959 0.300 . 1 . . . . 40 THR CA . 11138 1 428 . 1 1 40 40 THR CB C 13 66.336 0.300 . 1 . . . . 40 THR CB . 11138 1 429 . 1 1 40 40 THR CG2 C 13 19.186 0.300 . 1 . . . . 40 THR CG2 . 11138 1 430 . 1 1 40 40 THR N N 15 118.669 0.300 . 1 . . . . 40 THR N . 11138 1 431 . 1 1 41 41 GLN H H 1 7.237 0.030 . 1 . . . . 41 GLN H . 11138 1 432 . 1 1 41 41 GLN HA H 1 3.971 0.030 . 1 . . . . 41 GLN HA . 11138 1 433 . 1 1 41 41 GLN HB2 H 1 2.146 0.030 . 2 . . . . 41 GLN HB2 . 11138 1 434 . 1 1 41 41 GLN HB3 H 1 2.252 0.030 . 2 . . . . 41 GLN HB3 . 11138 1 435 . 1 1 41 41 GLN HE21 H 1 6.716 0.030 . 2 . . . . 41 GLN HE21 . 11138 1 436 . 1 1 41 41 GLN HE22 H 1 7.558 0.030 . 2 . . . . 41 GLN HE22 . 11138 1 437 . 1 1 41 41 GLN HG2 H 1 2.332 0.030 . 2 . . . . 41 GLN HG2 . 11138 1 438 . 1 1 41 41 GLN HG3 H 1 2.403 0.030 . 2 . . . . 41 GLN HG3 . 11138 1 439 . 1 1 41 41 GLN C C 13 175.700 0.300 . 1 . . . . 41 GLN C . 11138 1 440 . 1 1 41 41 GLN CA C 13 56.825 0.300 . 1 . . . . 41 GLN CA . 11138 1 441 . 1 1 41 41 GLN CB C 13 25.435 0.300 . 1 . . . . 41 GLN CB . 11138 1 442 . 1 1 41 41 GLN CG C 13 30.961 0.300 . 1 . . . . 41 GLN CG . 11138 1 443 . 1 1 41 41 GLN N N 15 119.836 0.300 . 1 . . . . 41 GLN N . 11138 1 444 . 1 1 41 41 GLN NE2 N 15 111.793 0.300 . 1 . . . . 41 GLN NE2 . 11138 1 445 . 1 1 42 42 ILE H H 1 7.764 0.030 . 1 . . . . 42 ILE H . 11138 1 446 . 1 1 42 42 ILE HA H 1 3.780 0.030 . 1 . . . . 42 ILE HA . 11138 1 447 . 1 1 42 42 ILE HB H 1 1.811 0.030 . 1 . . . . 42 ILE HB . 11138 1 448 . 1 1 42 42 ILE HD11 H 1 0.691 0.030 . 1 . . . . 42 ILE HD1 . 11138 1 449 . 1 1 42 42 ILE HD12 H 1 0.691 0.030 . 1 . . . . 42 ILE HD1 . 11138 1 450 . 1 1 42 42 ILE HD13 H 1 0.691 0.030 . 1 . . . . 42 ILE HD1 . 11138 1 451 . 1 1 42 42 ILE HG12 H 1 1.015 0.030 . 2 . . . . 42 ILE HG12 . 11138 1 452 . 1 1 42 42 ILE HG13 H 1 1.919 0.030 . 2 . . . . 42 ILE HG13 . 11138 1 453 . 1 1 42 42 ILE HG21 H 1 0.821 0.030 . 1 . . . . 42 ILE HG2 . 11138 1 454 . 1 1 42 42 ILE HG22 H 1 0.821 0.030 . 1 . . . . 42 ILE HG2 . 11138 1 455 . 1 1 42 42 ILE HG23 H 1 0.821 0.030 . 1 . . . . 42 ILE HG2 . 11138 1 456 . 1 1 42 42 ILE C C 13 175.729 0.300 . 1 . . . . 42 ILE C . 11138 1 457 . 1 1 42 42 ILE CA C 13 63.348 0.300 . 1 . . . . 42 ILE CA . 11138 1 458 . 1 1 42 42 ILE CB C 13 36.109 0.300 . 1 . . . . 42 ILE CB . 11138 1 459 . 1 1 42 42 ILE CD1 C 13 11.343 0.300 . 1 . . . . 42 ILE CD1 . 11138 1 460 . 1 1 42 42 ILE CG1 C 13 26.723 0.300 . 1 . . . . 42 ILE CG1 . 11138 1 461 . 1 1 42 42 ILE CG2 C 13 15.714 0.300 . 1 . . . . 42 ILE CG2 . 11138 1 462 . 1 1 42 42 ILE N N 15 119.516 0.300 . 1 . . . . 42 ILE N . 11138 1 463 . 1 1 43 43 ARG H H 1 8.311 0.030 . 1 . . . . 43 ARG H . 11138 1 464 . 1 1 43 43 ARG HA H 1 3.904 0.030 . 1 . . . . 43 ARG HA . 11138 1 465 . 1 1 43 43 ARG HB2 H 1 2.035 0.030 . 2 . . . . 43 ARG HB2 . 11138 1 466 . 1 1 43 43 ARG HB3 H 1 2.004 0.030 . 2 . . . . 43 ARG HB3 . 11138 1 467 . 1 1 43 43 ARG HD2 H 1 3.213 0.030 . 2 . . . . 43 ARG HD2 . 11138 1 468 . 1 1 43 43 ARG HD3 H 1 3.308 0.030 . 2 . . . . 43 ARG HD3 . 11138 1 469 . 1 1 43 43 ARG HG2 H 1 1.571 0.030 . 2 . . . . 43 ARG HG2 . 11138 1 470 . 1 1 43 43 ARG HG3 H 1 1.984 0.030 . 2 . . . . 43 ARG HG3 . 11138 1 471 . 1 1 43 43 ARG C C 13 176.998 0.300 . 1 . . . . 43 ARG C . 11138 1 472 . 1 1 43 43 ARG CA C 13 58.076 0.300 . 1 . . . . 43 ARG CA . 11138 1 473 . 1 1 43 43 ARG CB C 13 28.200 0.300 . 1 . . . . 43 ARG CB . 11138 1 474 . 1 1 43 43 ARG CD C 13 42.001 0.300 . 1 . . . . 43 ARG CD . 11138 1 475 . 1 1 43 43 ARG CG C 13 26.201 0.300 . 1 . . . . 43 ARG CG . 11138 1 476 . 1 1 43 43 ARG N N 15 117.706 0.300 . 1 . . . . 43 ARG N . 11138 1 477 . 1 1 44 44 LEU H H 1 7.922 0.030 . 1 . . . . 44 LEU H . 11138 1 478 . 1 1 44 44 LEU HA H 1 4.139 0.030 . 1 . . . . 44 LEU HA . 11138 1 479 . 1 1 44 44 LEU HB2 H 1 1.744 0.030 . 2 . . . . 44 LEU HB2 . 11138 1 480 . 1 1 44 44 LEU HB3 H 1 1.482 0.030 . 2 . . . . 44 LEU HB3 . 11138 1 481 . 1 1 44 44 LEU HD11 H 1 0.786 0.030 . 1 . . . . 44 LEU HD1 . 11138 1 482 . 1 1 44 44 LEU HD12 H 1 0.786 0.030 . 1 . . . . 44 LEU HD1 . 11138 1 483 . 1 1 44 44 LEU HD13 H 1 0.786 0.030 . 1 . . . . 44 LEU HD1 . 11138 1 484 . 1 1 44 44 LEU HD21 H 1 0.797 0.030 . 1 . . . . 44 LEU HD2 . 11138 1 485 . 1 1 44 44 LEU HD22 H 1 0.797 0.030 . 1 . . . . 44 LEU HD2 . 11138 1 486 . 1 1 44 44 LEU HD23 H 1 0.797 0.030 . 1 . . . . 44 LEU HD2 . 11138 1 487 . 1 1 44 44 LEU HG H 1 1.726 0.030 . 1 . . . . 44 LEU HG . 11138 1 488 . 1 1 44 44 LEU C C 13 177.672 0.300 . 1 . . . . 44 LEU C . 11138 1 489 . 1 1 44 44 LEU CA C 13 54.949 0.300 . 1 . . . . 44 LEU CA . 11138 1 490 . 1 1 44 44 LEU CB C 13 40.008 0.300 . 1 . . . . 44 LEU CB . 11138 1 491 . 1 1 44 44 LEU CD1 C 13 22.721 0.300 . 2 . . . . 44 LEU CD1 . 11138 1 492 . 1 1 44 44 LEU CD2 C 13 20.933 0.300 . 2 . . . . 44 LEU CD2 . 11138 1 493 . 1 1 44 44 LEU CG C 13 24.534 0.300 . 1 . . . . 44 LEU CG . 11138 1 494 . 1 1 44 44 LEU N N 15 117.274 0.300 . 1 . . . . 44 LEU N . 11138 1 495 . 1 1 45 45 GLU H H 1 8.441 0.030 . 1 . . . . 45 GLU H . 11138 1 496 . 1 1 45 45 GLU HA H 1 3.722 0.030 . 1 . . . . 45 GLU HA . 11138 1 497 . 1 1 45 45 GLU HB2 H 1 1.823 0.030 . 2 . . . . 45 GLU HB2 . 11138 1 498 . 1 1 45 45 GLU HB3 H 1 1.332 0.030 . 2 . . . . 45 GLU HB3 . 11138 1 499 . 1 1 45 45 GLU HG2 H 1 1.492 0.030 . 2 . . . . 45 GLU HG2 . 11138 1 500 . 1 1 45 45 GLU HG3 H 1 1.920 0.030 . 2 . . . . 45 GLU HG3 . 11138 1 501 . 1 1 45 45 GLU C C 13 175.827 0.300 . 1 . . . . 45 GLU C . 11138 1 502 . 1 1 45 45 GLU CA C 13 56.850 0.300 . 1 . . . . 45 GLU CA . 11138 1 503 . 1 1 45 45 GLU CB C 13 27.230 0.300 . 1 . . . . 45 GLU CB . 11138 1 504 . 1 1 45 45 GLU CG C 13 33.546 0.300 . 1 . . . . 45 GLU CG . 11138 1 505 . 1 1 45 45 GLU N N 15 119.455 0.300 . 1 . . . . 45 GLU N . 11138 1 506 . 1 1 46 46 HIS H H 1 7.352 0.030 . 1 . . . . 46 HIS H . 11138 1 507 . 1 1 46 46 HIS HA H 1 4.627 0.030 . 1 . . . . 46 HIS HA . 11138 1 508 . 1 1 46 46 HIS HB2 H 1 3.264 0.030 . 2 . . . . 46 HIS HB2 . 11138 1 509 . 1 1 46 46 HIS HB3 H 1 2.619 0.030 . 2 . . . . 46 HIS HB3 . 11138 1 510 . 1 1 46 46 HIS HD2 H 1 7.019 0.030 . 1 . . . . 46 HIS HD2 . 11138 1 511 . 1 1 46 46 HIS HE1 H 1 7.559 0.030 . 1 . . . . 46 HIS HE1 . 11138 1 512 . 1 1 46 46 HIS C C 13 171.476 0.300 . 1 . . . . 46 HIS C . 11138 1 513 . 1 1 46 46 HIS CA C 13 53.669 0.300 . 1 . . . . 46 HIS CA . 11138 1 514 . 1 1 46 46 HIS CB C 13 29.478 0.300 . 1 . . . . 46 HIS CB . 11138 1 515 . 1 1 46 46 HIS CD2 C 13 117.368 0.300 . 1 . . . . 46 HIS CD2 . 11138 1 516 . 1 1 46 46 HIS CE1 C 13 136.511 0.300 . 1 . . . . 46 HIS CE1 . 11138 1 517 . 1 1 46 46 HIS N N 15 111.998 0.300 . 1 . . . . 46 HIS N . 11138 1 518 . 1 1 47 47 ASP H H 1 7.733 0.030 . 1 . . . . 47 ASP H . 11138 1 519 . 1 1 47 47 ASP HA H 1 4.374 0.030 . 1 . . . . 47 ASP HA . 11138 1 520 . 1 1 47 47 ASP HB2 H 1 3.173 0.030 . 2 . . . . 47 ASP HB2 . 11138 1 521 . 1 1 47 47 ASP HB3 H 1 2.309 0.030 . 2 . . . . 47 ASP HB3 . 11138 1 522 . 1 1 47 47 ASP C C 13 173.022 0.300 . 1 . . . . 47 ASP C . 11138 1 523 . 1 1 47 47 ASP CA C 13 52.481 0.300 . 1 . . . . 47 ASP CA . 11138 1 524 . 1 1 47 47 ASP CB C 13 37.065 0.300 . 1 . . . . 47 ASP CB . 11138 1 525 . 1 1 47 47 ASP N N 15 120.261 0.300 . 1 . . . . 47 ASP N . 11138 1 526 . 1 1 48 48 VAL H H 1 7.502 0.030 . 1 . . . . 48 VAL H . 11138 1 527 . 1 1 48 48 VAL HA H 1 5.039 0.030 . 1 . . . . 48 VAL HA . 11138 1 528 . 1 1 48 48 VAL HB H 1 1.972 0.030 . 1 . . . . 48 VAL HB . 11138 1 529 . 1 1 48 48 VAL HG11 H 1 0.592 0.030 . 1 . . . . 48 VAL HG1 . 11138 1 530 . 1 1 48 48 VAL HG12 H 1 0.592 0.030 . 1 . . . . 48 VAL HG1 . 11138 1 531 . 1 1 48 48 VAL HG13 H 1 0.592 0.030 . 1 . . . . 48 VAL HG1 . 11138 1 532 . 1 1 48 48 VAL HG21 H 1 0.502 0.030 . 1 . . . . 48 VAL HG2 . 11138 1 533 . 1 1 48 48 VAL HG22 H 1 0.502 0.030 . 1 . . . . 48 VAL HG2 . 11138 1 534 . 1 1 48 48 VAL HG23 H 1 0.502 0.030 . 1 . . . . 48 VAL HG2 . 11138 1 535 . 1 1 48 48 VAL C C 13 173.008 0.300 . 1 . . . . 48 VAL C . 11138 1 536 . 1 1 48 48 VAL CA C 13 55.693 0.300 . 1 . . . . 48 VAL CA . 11138 1 537 . 1 1 48 48 VAL CB C 13 32.940 0.300 . 1 . . . . 48 VAL CB . 11138 1 538 . 1 1 48 48 VAL CG1 C 13 19.205 0.300 . 2 . . . . 48 VAL CG1 . 11138 1 539 . 1 1 48 48 VAL CG2 C 13 16.421 0.300 . 2 . . . . 48 VAL CG2 . 11138 1 540 . 1 1 48 48 VAL N N 15 106.367 0.300 . 1 . . . . 48 VAL N . 11138 1 541 . 1 1 49 49 ASN H H 1 8.543 0.030 . 1 . . . . 49 ASN H . 11138 1 542 . 1 1 49 49 ASN HA H 1 4.902 0.030 . 1 . . . . 49 ASN HA . 11138 1 543 . 1 1 49 49 ASN HB2 H 1 2.677 0.030 . 2 . . . . 49 ASN HB2 . 11138 1 544 . 1 1 49 49 ASN HB3 H 1 2.578 0.030 . 2 . . . . 49 ASN HB3 . 11138 1 545 . 1 1 49 49 ASN HD21 H 1 7.393 0.030 . 2 . . . . 49 ASN HD21 . 11138 1 546 . 1 1 49 49 ASN HD22 H 1 6.791 0.030 . 2 . . . . 49 ASN HD22 . 11138 1 547 . 1 1 49 49 ASN C C 13 172.716 0.300 . 1 . . . . 49 ASN C . 11138 1 548 . 1 1 49 49 ASN CA C 13 49.597 0.300 . 1 . . . . 49 ASN CA . 11138 1 549 . 1 1 49 49 ASN CB C 13 38.010 0.300 . 1 . . . . 49 ASN CB . 11138 1 550 . 1 1 49 49 ASN N N 15 117.936 0.300 . 1 . . . . 49 ASN N . 11138 1 551 . 1 1 49 49 ASN ND2 N 15 111.839 0.300 . 1 . . . . 49 ASN ND2 . 11138 1 552 . 1 1 50 50 ILE H H 1 8.025 0.030 . 1 . . . . 50 ILE H . 11138 1 553 . 1 1 50 50 ILE HA H 1 4.613 0.030 . 1 . . . . 50 ILE HA . 11138 1 554 . 1 1 50 50 ILE HB H 1 1.384 0.030 . 1 . . . . 50 ILE HB . 11138 1 555 . 1 1 50 50 ILE HD11 H 1 0.634 0.030 . 1 . . . . 50 ILE HD1 . 11138 1 556 . 1 1 50 50 ILE HD12 H 1 0.634 0.030 . 1 . . . . 50 ILE HD1 . 11138 1 557 . 1 1 50 50 ILE HD13 H 1 0.634 0.030 . 1 . . . . 50 ILE HD1 . 11138 1 558 . 1 1 50 50 ILE HG12 H 1 0.724 0.030 . 2 . . . . 50 ILE HG12 . 11138 1 559 . 1 1 50 50 ILE HG13 H 1 1.335 0.030 . 2 . . . . 50 ILE HG13 . 11138 1 560 . 1 1 50 50 ILE HG21 H 1 0.345 0.030 . 1 . . . . 50 ILE HG2 . 11138 1 561 . 1 1 50 50 ILE HG22 H 1 0.345 0.030 . 1 . . . . 50 ILE HG2 . 11138 1 562 . 1 1 50 50 ILE HG23 H 1 0.345 0.030 . 1 . . . . 50 ILE HG2 . 11138 1 563 . 1 1 50 50 ILE C C 13 171.502 0.300 . 1 . . . . 50 ILE C . 11138 1 564 . 1 1 50 50 ILE CA C 13 58.428 0.300 . 1 . . . . 50 ILE CA . 11138 1 565 . 1 1 50 50 ILE CB C 13 38.509 0.300 . 1 . . . . 50 ILE CB . 11138 1 566 . 1 1 50 50 ILE CD1 C 13 11.695 0.300 . 1 . . . . 50 ILE CD1 . 11138 1 567 . 1 1 50 50 ILE CG1 C 13 26.095 0.300 . 1 . . . . 50 ILE CG1 . 11138 1 568 . 1 1 50 50 ILE CG2 C 13 15.554 0.300 . 1 . . . . 50 ILE CG2 . 11138 1 569 . 1 1 50 50 ILE N N 15 122.821 0.300 . 1 . . . . 50 ILE N . 11138 1 570 . 1 1 51 51 GLN H H 1 8.889 0.030 . 1 . . . . 51 GLN H . 11138 1 571 . 1 1 51 51 GLN HA H 1 4.675 0.030 . 1 . . . . 51 GLN HA . 11138 1 572 . 1 1 51 51 GLN HB2 H 1 1.935 0.030 . 2 . . . . 51 GLN HB2 . 11138 1 573 . 1 1 51 51 GLN HB3 H 1 1.698 0.030 . 2 . . . . 51 GLN HB3 . 11138 1 574 . 1 1 51 51 GLN HE21 H 1 7.629 0.030 . 2 . . . . 51 GLN HE21 . 11138 1 575 . 1 1 51 51 GLN HE22 H 1 6.721 0.030 . 2 . . . . 51 GLN HE22 . 11138 1 576 . 1 1 51 51 GLN HG2 H 1 2.212 0.030 . 2 . . . . 51 GLN HG2 . 11138 1 577 . 1 1 51 51 GLN HG3 H 1 2.122 0.030 . 2 . . . . 51 GLN HG3 . 11138 1 578 . 1 1 51 51 GLN C C 13 171.947 0.300 . 1 . . . . 51 GLN C . 11138 1 579 . 1 1 51 51 GLN CA C 13 51.977 0.300 . 1 . . . . 51 GLN CA . 11138 1 580 . 1 1 51 51 GLN CB C 13 29.882 0.300 . 1 . . . . 51 GLN CB . 11138 1 581 . 1 1 51 51 GLN CG C 13 31.539 0.300 . 1 . . . . 51 GLN CG . 11138 1 582 . 1 1 51 51 GLN N N 15 126.835 0.300 . 1 . . . . 51 GLN N . 11138 1 583 . 1 1 51 51 GLN NE2 N 15 112.791 0.300 . 1 . . . . 51 GLN NE2 . 11138 1 584 . 1 1 52 52 PHE H H 1 8.886 0.030 . 1 . . . . 52 PHE H . 11138 1 585 . 1 1 52 52 PHE HA H 1 4.388 0.030 . 1 . . . . 52 PHE HA . 11138 1 586 . 1 1 52 52 PHE HB2 H 1 3.129 0.030 . 2 . . . . 52 PHE HB2 . 11138 1 587 . 1 1 52 52 PHE HB3 H 1 2.738 0.030 . 2 . . . . 52 PHE HB3 . 11138 1 588 . 1 1 52 52 PHE HD1 H 1 6.971 0.030 . 1 . . . . 52 PHE HD1 . 11138 1 589 . 1 1 52 52 PHE HD2 H 1 6.971 0.030 . 1 . . . . 52 PHE HD2 . 11138 1 590 . 1 1 52 52 PHE HE1 H 1 6.734 0.030 . 1 . . . . 52 PHE HE1 . 11138 1 591 . 1 1 52 52 PHE HE2 H 1 6.734 0.030 . 1 . . . . 52 PHE HE2 . 11138 1 592 . 1 1 52 52 PHE HZ H 1 6.699 0.030 . 1 . . . . 52 PHE HZ . 11138 1 593 . 1 1 52 52 PHE C C 13 171.088 0.300 . 1 . . . . 52 PHE C . 11138 1 594 . 1 1 52 52 PHE CA C 13 54.092 0.300 . 1 . . . . 52 PHE CA . 11138 1 595 . 1 1 52 52 PHE CB C 13 36.399 0.300 . 1 . . . . 52 PHE CB . 11138 1 596 . 1 1 52 52 PHE CD1 C 13 129.205 0.300 . 1 . . . . 52 PHE CD1 . 11138 1 597 . 1 1 52 52 PHE CD2 C 13 129.205 0.300 . 1 . . . . 52 PHE CD2 . 11138 1 598 . 1 1 52 52 PHE CE1 C 13 128.148 0.300 . 1 . . . . 52 PHE CE1 . 11138 1 599 . 1 1 52 52 PHE CE2 C 13 128.148 0.300 . 1 . . . . 52 PHE CE2 . 11138 1 600 . 1 1 52 52 PHE CZ C 13 125.782 0.300 . 1 . . . . 52 PHE CZ . 11138 1 601 . 1 1 52 52 PHE N N 15 125.263 0.300 . 1 . . . . 52 PHE N . 11138 1 602 . 1 1 53 53 PRO HA H 1 4.348 0.030 . 1 . . . . 53 PRO HA . 11138 1 603 . 1 1 53 53 PRO HB2 H 1 2.282 0.030 . 2 . . . . 53 PRO HB2 . 11138 1 604 . 1 1 53 53 PRO HB3 H 1 1.784 0.030 . 2 . . . . 53 PRO HB3 . 11138 1 605 . 1 1 53 53 PRO HD2 H 1 3.718 0.030 . 2 . . . . 53 PRO HD2 . 11138 1 606 . 1 1 53 53 PRO HD3 H 1 3.822 0.030 . 2 . . . . 53 PRO HD3 . 11138 1 607 . 1 1 53 53 PRO HG2 H 1 2.150 0.030 . 2 . . . . 53 PRO HG2 . 11138 1 608 . 1 1 53 53 PRO HG3 H 1 2.273 0.030 . 2 . . . . 53 PRO HG3 . 11138 1 609 . 1 1 53 53 PRO C C 13 173.852 0.300 . 1 . . . . 53 PRO C . 11138 1 610 . 1 1 53 53 PRO CA C 13 60.738 0.300 . 1 . . . . 53 PRO CA . 11138 1 611 . 1 1 53 53 PRO CB C 13 30.152 0.300 . 1 . . . . 53 PRO CB . 11138 1 612 . 1 1 53 53 PRO CD C 13 48.098 0.300 . 1 . . . . 53 PRO CD . 11138 1 613 . 1 1 53 53 PRO CG C 13 25.889 0.300 . 1 . . . . 53 PRO CG . 11138 1 614 . 1 1 54 54 ASP H H 1 8.228 0.030 . 1 . . . . 54 ASP H . 11138 1 615 . 1 1 54 54 ASP HA H 1 4.603 0.030 . 1 . . . . 54 ASP HA . 11138 1 616 . 1 1 54 54 ASP HB2 H 1 2.778 0.030 . 2 . . . . 54 ASP HB2 . 11138 1 617 . 1 1 54 54 ASP HB3 H 1 2.577 0.030 . 2 . . . . 54 ASP HB3 . 11138 1 618 . 1 1 54 54 ASP C C 13 175.096 0.300 . 1 . . . . 54 ASP C . 11138 1 619 . 1 1 54 54 ASP CA C 13 50.990 0.300 . 1 . . . . 54 ASP CA . 11138 1 620 . 1 1 54 54 ASP CB C 13 39.124 0.300 . 1 . . . . 54 ASP CB . 11138 1 621 . 1 1 54 54 ASP N N 15 122.028 0.300 . 1 . . . . 54 ASP N . 11138 1 622 . 1 1 55 55 LYS H H 1 8.564 0.030 . 1 . . . . 55 LYS H . 11138 1 623 . 1 1 55 55 LYS HA H 1 4.387 0.030 . 1 . . . . 55 LYS HA . 11138 1 624 . 1 1 55 55 LYS HB2 H 1 1.724 0.030 . 1 . . . . 55 LYS HB2 . 11138 1 625 . 1 1 55 55 LYS HB3 H 1 1.724 0.030 . 1 . . . . 55 LYS HB3 . 11138 1 626 . 1 1 55 55 LYS HD2 H 1 1.618 0.030 . 1 . . . . 55 LYS HD2 . 11138 1 627 . 1 1 55 55 LYS HD3 H 1 1.618 0.030 . 1 . . . . 55 LYS HD3 . 11138 1 628 . 1 1 55 55 LYS HE2 H 1 2.944 0.030 . 1 . . . . 55 LYS HE2 . 11138 1 629 . 1 1 55 55 LYS HE3 H 1 2.944 0.030 . 1 . . . . 55 LYS HE3 . 11138 1 630 . 1 1 55 55 LYS HG2 H 1 1.417 0.030 . 1 . . . . 55 LYS HG2 . 11138 1 631 . 1 1 55 55 LYS HG3 H 1 1.417 0.030 . 1 . . . . 55 LYS HG3 . 11138 1 632 . 1 1 55 55 LYS C C 13 174.969 0.300 . 1 . . . . 55 LYS C . 11138 1 633 . 1 1 55 55 LYS CA C 13 55.502 0.300 . 1 . . . . 55 LYS CA . 11138 1 634 . 1 1 55 55 LYS CB C 13 29.807 0.300 . 1 . . . . 55 LYS CB . 11138 1 635 . 1 1 55 55 LYS CD C 13 26.841 0.300 . 1 . . . . 55 LYS CD . 11138 1 636 . 1 1 55 55 LYS CE C 13 39.661 0.300 . 1 . . . . 55 LYS CE . 11138 1 637 . 1 1 55 55 LYS CG C 13 22.147 0.300 . 1 . . . . 55 LYS CG . 11138 1 638 . 1 1 55 55 LYS N N 15 126.407 0.300 . 1 . . . . 55 LYS N . 11138 1 639 . 1 1 56 56 ASP H H 1 8.291 0.030 . 1 . . . . 56 ASP H . 11138 1 640 . 1 1 56 56 ASP HA H 1 4.557 0.030 . 1 . . . . 56 ASP HA . 11138 1 641 . 1 1 56 56 ASP HB2 H 1 2.683 0.030 . 2 . . . . 56 ASP HB2 . 11138 1 642 . 1 1 56 56 ASP HB3 H 1 2.531 0.030 . 2 . . . . 56 ASP HB3 . 11138 1 643 . 1 1 56 56 ASP C C 13 173.033 0.300 . 1 . . . . 56 ASP C . 11138 1 644 . 1 1 56 56 ASP CA C 13 52.329 0.300 . 1 . . . . 56 ASP CA . 11138 1 645 . 1 1 56 56 ASP CB C 13 38.753 0.300 . 1 . . . . 56 ASP CB . 11138 1 646 . 1 1 56 56 ASP N N 15 117.152 0.300 . 1 . . . . 56 ASP N . 11138 1 647 . 1 1 57 57 ASP H H 1 7.495 0.030 . 1 . . . . 57 ASP H . 11138 1 648 . 1 1 57 57 ASP HA H 1 4.631 0.030 . 1 . . . . 57 ASP HA . 11138 1 649 . 1 1 57 57 ASP HB2 H 1 2.904 0.030 . 2 . . . . 57 ASP HB2 . 11138 1 650 . 1 1 57 57 ASP HB3 H 1 2.345 0.030 . 2 . . . . 57 ASP HB3 . 11138 1 651 . 1 1 57 57 ASP C C 13 174.119 0.300 . 1 . . . . 57 ASP C . 11138 1 652 . 1 1 57 57 ASP CA C 13 50.444 0.300 . 1 . . . . 57 ASP CA . 11138 1 653 . 1 1 57 57 ASP CB C 13 38.916 0.300 . 1 . . . . 57 ASP CB . 11138 1 654 . 1 1 57 57 ASP N N 15 119.752 0.300 . 1 . . . . 57 ASP N . 11138 1 655 . 1 1 58 58 GLY H H 1 8.466 0.030 . 1 . . . . 58 GLY H . 11138 1 656 . 1 1 58 58 GLY HA2 H 1 3.917 0.030 . 2 . . . . 58 GLY HA2 . 11138 1 657 . 1 1 58 58 GLY HA3 H 1 3.720 0.030 . 2 . . . . 58 GLY HA3 . 11138 1 658 . 1 1 58 58 GLY C C 13 172.442 0.300 . 1 . . . . 58 GLY C . 11138 1 659 . 1 1 58 58 GLY CA C 13 43.780 0.300 . 1 . . . . 58 GLY CA . 11138 1 660 . 1 1 58 58 GLY N N 15 111.114 0.300 . 1 . . . . 58 GLY N . 11138 1 661 . 1 1 59 59 ASN H H 1 8.373 0.030 . 1 . . . . 59 ASN H . 11138 1 662 . 1 1 59 59 ASN HA H 1 4.664 0.030 . 1 . . . . 59 ASN HA . 11138 1 663 . 1 1 59 59 ASN HB2 H 1 2.770 0.030 . 1 . . . . 59 ASN HB2 . 11138 1 664 . 1 1 59 59 ASN HB3 H 1 2.770 0.030 . 1 . . . . 59 ASN HB3 . 11138 1 665 . 1 1 59 59 ASN HD21 H 1 7.729 0.030 . 2 . . . . 59 ASN HD21 . 11138 1 666 . 1 1 59 59 ASN HD22 H 1 6.848 0.030 . 2 . . . . 59 ASN HD22 . 11138 1 667 . 1 1 59 59 ASN C C 13 172.921 0.300 . 1 . . . . 59 ASN C . 11138 1 668 . 1 1 59 59 ASN CA C 13 51.166 0.300 . 1 . . . . 59 ASN CA . 11138 1 669 . 1 1 59 59 ASN CB C 13 36.902 0.300 . 1 . . . . 59 ASN CB . 11138 1 670 . 1 1 59 59 ASN N N 15 116.348 0.300 . 1 . . . . 59 ASN N . 11138 1 671 . 1 1 59 59 ASN ND2 N 15 114.307 0.300 . 1 . . . . 59 ASN ND2 . 11138 1 672 . 1 1 60 60 GLN H H 1 7.566 0.030 . 1 . . . . 60 GLN H . 11138 1 673 . 1 1 60 60 GLN HA H 1 4.632 0.030 . 1 . . . . 60 GLN HA . 11138 1 674 . 1 1 60 60 GLN HB2 H 1 1.866 0.030 . 2 . . . . 60 GLN HB2 . 11138 1 675 . 1 1 60 60 GLN HB3 H 1 1.981 0.030 . 2 . . . . 60 GLN HB3 . 11138 1 676 . 1 1 60 60 GLN HE21 H 1 6.986 0.030 . 2 . . . . 60 GLN HE21 . 11138 1 677 . 1 1 60 60 GLN HE22 H 1 7.795 0.030 . 2 . . . . 60 GLN HE22 . 11138 1 678 . 1 1 60 60 GLN HG2 H 1 2.234 0.030 . 2 . . . . 60 GLN HG2 . 11138 1 679 . 1 1 60 60 GLN HG3 H 1 2.309 0.030 . 2 . . . . 60 GLN HG3 . 11138 1 680 . 1 1 60 60 GLN C C 13 171.501 0.300 . 1 . . . . 60 GLN C . 11138 1 681 . 1 1 60 60 GLN CA C 13 50.761 0.300 . 1 . . . . 60 GLN CA . 11138 1 682 . 1 1 60 60 GLN CB C 13 27.014 0.300 . 1 . . . . 60 GLN CB . 11138 1 683 . 1 1 60 60 GLN CG C 13 31.144 0.300 . 1 . . . . 60 GLN CG . 11138 1 684 . 1 1 60 60 GLN N N 15 119.999 0.300 . 1 . . . . 60 GLN N . 11138 1 685 . 1 1 60 60 GLN NE2 N 15 113.219 0.300 . 1 . . . . 60 GLN NE2 . 11138 1 686 . 1 1 61 61 PRO HA H 1 4.343 0.030 . 1 . . . . 61 PRO HA . 11138 1 687 . 1 1 61 61 PRO HB2 H 1 2.311 0.030 . 2 . . . . 61 PRO HB2 . 11138 1 688 . 1 1 61 61 PRO HB3 H 1 1.739 0.030 . 2 . . . . 61 PRO HB3 . 11138 1 689 . 1 1 61 61 PRO HD2 H 1 3.537 0.030 . 2 . . . . 61 PRO HD2 . 11138 1 690 . 1 1 61 61 PRO HD3 H 1 3.793 0.030 . 2 . . . . 61 PRO HD3 . 11138 1 691 . 1 1 61 61 PRO HG2 H 1 1.976 0.030 . 2 . . . . 61 PRO HG2 . 11138 1 692 . 1 1 61 61 PRO HG3 H 1 1.897 0.030 . 2 . . . . 61 PRO HG3 . 11138 1 693 . 1 1 61 61 PRO C C 13 176.329 0.300 . 1 . . . . 61 PRO C . 11138 1 694 . 1 1 61 61 PRO CA C 13 60.734 0.300 . 1 . . . . 61 PRO CA . 11138 1 695 . 1 1 61 61 PRO CB C 13 29.965 0.300 . 1 . . . . 61 PRO CB . 11138 1 696 . 1 1 61 61 PRO CD C 13 48.518 0.300 . 1 . . . . 61 PRO CD . 11138 1 697 . 1 1 61 61 PRO CG C 13 25.587 0.300 . 1 . . . . 61 PRO CG . 11138 1 698 . 1 1 62 62 GLN H H 1 8.766 0.030 . 1 . . . . 62 GLN H . 11138 1 699 . 1 1 62 62 GLN HA H 1 3.935 0.030 . 1 . . . . 62 GLN HA . 11138 1 700 . 1 1 62 62 GLN HB2 H 1 2.275 0.030 . 2 . . . . 62 GLN HB2 . 11138 1 701 . 1 1 62 62 GLN HB3 H 1 1.789 0.030 . 2 . . . . 62 GLN HB3 . 11138 1 702 . 1 1 62 62 GLN HE21 H 1 7.149 0.030 . 2 . . . . 62 GLN HE21 . 11138 1 703 . 1 1 62 62 GLN HE22 H 1 6.874 0.030 . 2 . . . . 62 GLN HE22 . 11138 1 704 . 1 1 62 62 GLN HG2 H 1 2.332 0.030 . 2 . . . . 62 GLN HG2 . 11138 1 705 . 1 1 62 62 GLN HG3 H 1 2.517 0.030 . 2 . . . . 62 GLN HG3 . 11138 1 706 . 1 1 62 62 GLN C C 13 172.727 0.300 . 1 . . . . 62 GLN C . 11138 1 707 . 1 1 62 62 GLN CA C 13 54.287 0.300 . 1 . . . . 62 GLN CA . 11138 1 708 . 1 1 62 62 GLN CB C 13 26.224 0.300 . 1 . . . . 62 GLN CB . 11138 1 709 . 1 1 62 62 GLN CG C 13 31.731 0.300 . 1 . . . . 62 GLN CG . 11138 1 710 . 1 1 62 62 GLN N N 15 121.254 0.300 . 1 . . . . 62 GLN N . 11138 1 711 . 1 1 62 62 GLN NE2 N 15 114.782 0.300 . 1 . . . . 62 GLN NE2 . 11138 1 712 . 1 1 63 63 ASP H H 1 8.186 0.030 . 1 . . . . 63 ASP H . 11138 1 713 . 1 1 63 63 ASP HA H 1 4.815 0.030 . 1 . . . . 63 ASP HA . 11138 1 714 . 1 1 63 63 ASP HB2 H 1 3.025 0.030 . 2 . . . . 63 ASP HB2 . 11138 1 715 . 1 1 63 63 ASP HB3 H 1 2.354 0.030 . 2 . . . . 63 ASP HB3 . 11138 1 716 . 1 1 63 63 ASP C C 13 172.091 0.300 . 1 . . . . 63 ASP C . 11138 1 717 . 1 1 63 63 ASP CA C 13 49.139 0.300 . 1 . . . . 63 ASP CA . 11138 1 718 . 1 1 63 63 ASP CB C 13 38.685 0.300 . 1 . . . . 63 ASP CB . 11138 1 719 . 1 1 63 63 ASP N N 15 115.197 0.300 . 1 . . . . 63 ASP N . 11138 1 720 . 1 1 64 64 GLN H H 1 6.584 0.030 . 1 . . . . 64 GLN H . 11138 1 721 . 1 1 64 64 GLN HA H 1 4.887 0.030 . 1 . . . . 64 GLN HA . 11138 1 722 . 1 1 64 64 GLN HB2 H 1 1.670 0.030 . 2 . . . . 64 GLN HB2 . 11138 1 723 . 1 1 64 64 GLN HB3 H 1 1.747 0.030 . 2 . . . . 64 GLN HB3 . 11138 1 724 . 1 1 64 64 GLN HE21 H 1 7.217 0.030 . 2 . . . . 64 GLN HE21 . 11138 1 725 . 1 1 64 64 GLN HE22 H 1 6.922 0.030 . 2 . . . . 64 GLN HE22 . 11138 1 726 . 1 1 64 64 GLN HG2 H 1 2.038 0.030 . 2 . . . . 64 GLN HG2 . 11138 1 727 . 1 1 64 64 GLN HG3 H 1 2.089 0.030 . 2 . . . . 64 GLN HG3 . 11138 1 728 . 1 1 64 64 GLN C C 13 172.365 0.300 . 1 . . . . 64 GLN C . 11138 1 729 . 1 1 64 64 GLN CA C 13 51.979 0.300 . 1 . . . . 64 GLN CA . 11138 1 730 . 1 1 64 64 GLN CB C 13 29.462 0.300 . 1 . . . . 64 GLN CB . 11138 1 731 . 1 1 64 64 GLN CG C 13 31.446 0.300 . 1 . . . . 64 GLN CG . 11138 1 732 . 1 1 64 64 GLN N N 15 114.885 0.300 . 1 . . . . 64 GLN N . 11138 1 733 . 1 1 64 64 GLN NE2 N 15 114.047 0.300 . 1 . . . . 64 GLN NE2 . 11138 1 734 . 1 1 65 65 ILE H H 1 8.729 0.030 . 1 . . . . 65 ILE H . 11138 1 735 . 1 1 65 65 ILE HA H 1 3.969 0.030 . 1 . . . . 65 ILE HA . 11138 1 736 . 1 1 65 65 ILE HB H 1 1.229 0.030 . 1 . . . . 65 ILE HB . 11138 1 737 . 1 1 65 65 ILE HD11 H 1 0.144 0.030 . 1 . . . . 65 ILE HD1 . 11138 1 738 . 1 1 65 65 ILE HD12 H 1 0.144 0.030 . 1 . . . . 65 ILE HD1 . 11138 1 739 . 1 1 65 65 ILE HD13 H 1 0.144 0.030 . 1 . . . . 65 ILE HD1 . 11138 1 740 . 1 1 65 65 ILE HG12 H 1 0.959 0.030 . 2 . . . . 65 ILE HG12 . 11138 1 741 . 1 1 65 65 ILE HG13 H 1 0.043 0.030 . 2 . . . . 65 ILE HG13 . 11138 1 742 . 1 1 65 65 ILE HG21 H 1 -0.025 0.030 . 1 . . . . 65 ILE HG2 . 11138 1 743 . 1 1 65 65 ILE HG22 H 1 -0.025 0.030 . 1 . . . . 65 ILE HG2 . 11138 1 744 . 1 1 65 65 ILE HG23 H 1 -0.025 0.030 . 1 . . . . 65 ILE HG2 . 11138 1 745 . 1 1 65 65 ILE C C 13 172.929 0.300 . 1 . . . . 65 ILE C . 11138 1 746 . 1 1 65 65 ILE CA C 13 57.671 0.300 . 1 . . . . 65 ILE CA . 11138 1 747 . 1 1 65 65 ILE CB C 13 37.533 0.300 . 1 . . . . 65 ILE CB . 11138 1 748 . 1 1 65 65 ILE CD1 C 13 11.972 0.300 . 1 . . . . 65 ILE CD1 . 11138 1 749 . 1 1 65 65 ILE CG1 C 13 25.083 0.300 . 1 . . . . 65 ILE CG1 . 11138 1 750 . 1 1 65 65 ILE CG2 C 13 14.735 0.300 . 1 . . . . 65 ILE CG2 . 11138 1 751 . 1 1 65 65 ILE N N 15 124.221 0.300 . 1 . . . . 65 ILE N . 11138 1 752 . 1 1 66 66 THR H H 1 8.168 0.030 . 1 . . . . 66 THR H . 11138 1 753 . 1 1 66 66 THR HA H 1 4.828 0.030 . 1 . . . . 66 THR HA . 11138 1 754 . 1 1 66 66 THR HB H 1 3.690 0.030 . 1 . . . . 66 THR HB . 11138 1 755 . 1 1 66 66 THR HG21 H 1 0.891 0.030 . 1 . . . . 66 THR HG2 . 11138 1 756 . 1 1 66 66 THR HG22 H 1 0.891 0.030 . 1 . . . . 66 THR HG2 . 11138 1 757 . 1 1 66 66 THR HG23 H 1 0.891 0.030 . 1 . . . . 66 THR HG2 . 11138 1 758 . 1 1 66 66 THR C C 13 171.310 0.300 . 1 . . . . 66 THR C . 11138 1 759 . 1 1 66 66 THR CA C 13 59.469 0.300 . 1 . . . . 66 THR CA . 11138 1 760 . 1 1 66 66 THR CB C 13 67.915 0.300 . 1 . . . . 66 THR CB . 11138 1 761 . 1 1 66 66 THR CG2 C 13 19.187 0.300 . 1 . . . . 66 THR CG2 . 11138 1 762 . 1 1 66 66 THR N N 15 120.021 0.300 . 1 . . . . 66 THR N . 11138 1 763 . 1 1 67 67 ILE H H 1 9.271 0.030 . 1 . . . . 67 ILE H . 11138 1 764 . 1 1 67 67 ILE HA H 1 4.830 0.030 . 1 . . . . 67 ILE HA . 11138 1 765 . 1 1 67 67 ILE HB H 1 1.659 0.030 . 1 . . . . 67 ILE HB . 11138 1 766 . 1 1 67 67 ILE HD11 H 1 0.534 0.030 . 1 . . . . 67 ILE HD1 . 11138 1 767 . 1 1 67 67 ILE HD12 H 1 0.534 0.030 . 1 . . . . 67 ILE HD1 . 11138 1 768 . 1 1 67 67 ILE HD13 H 1 0.534 0.030 . 1 . . . . 67 ILE HD1 . 11138 1 769 . 1 1 67 67 ILE HG12 H 1 1.418 0.030 . 2 . . . . 67 ILE HG12 . 11138 1 770 . 1 1 67 67 ILE HG13 H 1 0.545 0.030 . 2 . . . . 67 ILE HG13 . 11138 1 771 . 1 1 67 67 ILE HG21 H 1 0.752 0.030 . 1 . . . . 67 ILE HG2 . 11138 1 772 . 1 1 67 67 ILE HG22 H 1 0.752 0.030 . 1 . . . . 67 ILE HG2 . 11138 1 773 . 1 1 67 67 ILE HG23 H 1 0.752 0.030 . 1 . . . . 67 ILE HG2 . 11138 1 774 . 1 1 67 67 ILE C C 13 172.125 0.300 . 1 . . . . 67 ILE C . 11138 1 775 . 1 1 67 67 ILE CA C 13 58.003 0.300 . 1 . . . . 67 ILE CA . 11138 1 776 . 1 1 67 67 ILE CB C 13 38.131 0.300 . 1 . . . . 67 ILE CB . 11138 1 777 . 1 1 67 67 ILE CD1 C 13 11.855 0.300 . 1 . . . . 67 ILE CD1 . 11138 1 778 . 1 1 67 67 ILE CG1 C 13 24.647 0.300 . 1 . . . . 67 ILE CG1 . 11138 1 779 . 1 1 67 67 ILE CG2 C 13 16.172 0.300 . 1 . . . . 67 ILE CG2 . 11138 1 780 . 1 1 67 67 ILE N N 15 128.891 0.300 . 1 . . . . 67 ILE N . 11138 1 781 . 1 1 68 68 THR H H 1 8.746 0.030 . 1 . . . . 68 THR H . 11138 1 782 . 1 1 68 68 THR HA H 1 5.757 0.030 . 1 . . . . 68 THR HA . 11138 1 783 . 1 1 68 68 THR HB H 1 3.810 0.030 . 1 . . . . 68 THR HB . 11138 1 784 . 1 1 68 68 THR HG21 H 1 1.032 0.030 . 1 . . . . 68 THR HG2 . 11138 1 785 . 1 1 68 68 THR HG22 H 1 1.032 0.030 . 1 . . . . 68 THR HG2 . 11138 1 786 . 1 1 68 68 THR HG23 H 1 1.032 0.030 . 1 . . . . 68 THR HG2 . 11138 1 787 . 1 1 68 68 THR C C 13 172.160 0.300 . 1 . . . . 68 THR C . 11138 1 788 . 1 1 68 68 THR CA C 13 57.854 0.300 . 1 . . . . 68 THR CA . 11138 1 789 . 1 1 68 68 THR CB C 13 69.125 0.300 . 1 . . . . 68 THR CB . 11138 1 790 . 1 1 68 68 THR CG2 C 13 18.868 0.300 . 1 . . . . 68 THR CG2 . 11138 1 791 . 1 1 68 68 THR N N 15 119.617 0.300 . 1 . . . . 68 THR N . 11138 1 792 . 1 1 69 69 GLY H H 1 8.661 0.030 . 1 . . . . 69 GLY H . 11138 1 793 . 1 1 69 69 GLY HA2 H 1 4.058 0.030 . 2 . . . . 69 GLY HA2 . 11138 1 794 . 1 1 69 69 GLY HA3 H 1 3.916 0.030 . 2 . . . . 69 GLY HA3 . 11138 1 795 . 1 1 69 69 GLY C C 13 169.341 0.300 . 1 . . . . 69 GLY C . 11138 1 796 . 1 1 69 69 GLY CA C 13 42.950 0.300 . 1 . . . . 69 GLY CA . 11138 1 797 . 1 1 69 69 GLY N N 15 114.505 0.300 . 1 . . . . 69 GLY N . 11138 1 798 . 1 1 70 70 TYR H H 1 8.580 0.030 . 1 . . . . 70 TYR H . 11138 1 799 . 1 1 70 70 TYR HA H 1 4.825 0.030 . 1 . . . . 70 TYR HA . 11138 1 800 . 1 1 70 70 TYR HB2 H 1 3.131 0.030 . 2 . . . . 70 TYR HB2 . 11138 1 801 . 1 1 70 70 TYR HB3 H 1 2.926 0.030 . 2 . . . . 70 TYR HB3 . 11138 1 802 . 1 1 70 70 TYR HD1 H 1 7.088 0.030 . 1 . . . . 70 TYR HD1 . 11138 1 803 . 1 1 70 70 TYR HD2 H 1 7.088 0.030 . 1 . . . . 70 TYR HD2 . 11138 1 804 . 1 1 70 70 TYR HE1 H 1 6.779 0.030 . 1 . . . . 70 TYR HE1 . 11138 1 805 . 1 1 70 70 TYR HE2 H 1 6.779 0.030 . 1 . . . . 70 TYR HE2 . 11138 1 806 . 1 1 70 70 TYR C C 13 176.731 0.300 . 1 . . . . 70 TYR C . 11138 1 807 . 1 1 70 70 TYR CA C 13 55.979 0.300 . 1 . . . . 70 TYR CA . 11138 1 808 . 1 1 70 70 TYR CB C 13 35.370 0.300 . 1 . . . . 70 TYR CB . 11138 1 809 . 1 1 70 70 TYR CD1 C 13 130.227 0.300 . 1 . . . . 70 TYR CD1 . 11138 1 810 . 1 1 70 70 TYR CD2 C 13 130.227 0.300 . 1 . . . . 70 TYR CD2 . 11138 1 811 . 1 1 70 70 TYR CE1 C 13 116.193 0.300 . 1 . . . . 70 TYR CE1 . 11138 1 812 . 1 1 70 70 TYR CE2 C 13 116.193 0.300 . 1 . . . . 70 TYR CE2 . 11138 1 813 . 1 1 70 70 TYR N N 15 118.039 0.300 . 1 . . . . 70 TYR N . 11138 1 814 . 1 1 71 71 GLU H H 1 9.072 0.030 . 1 . . . . 71 GLU H . 11138 1 815 . 1 1 71 71 GLU HA H 1 3.389 0.030 . 1 . . . . 71 GLU HA . 11138 1 816 . 1 1 71 71 GLU HB2 H 1 1.417 0.030 . 2 . . . . 71 GLU HB2 . 11138 1 817 . 1 1 71 71 GLU HB3 H 1 1.092 0.030 . 2 . . . . 71 GLU HB3 . 11138 1 818 . 1 1 71 71 GLU HG2 H 1 1.350 0.030 . 2 . . . . 71 GLU HG2 . 11138 1 819 . 1 1 71 71 GLU HG3 H 1 0.990 0.030 . 2 . . . . 71 GLU HG3 . 11138 1 820 . 1 1 71 71 GLU C C 13 176.656 0.300 . 1 . . . . 71 GLU C . 11138 1 821 . 1 1 71 71 GLU CA C 13 58.250 0.300 . 1 . . . . 71 GLU CA . 11138 1 822 . 1 1 71 71 GLU CB C 13 27.400 0.300 . 1 . . . . 71 GLU CB . 11138 1 823 . 1 1 71 71 GLU CG C 13 31.620 0.300 . 1 . . . . 71 GLU CG . 11138 1 824 . 1 1 71 71 GLU N N 15 124.718 0.300 . 1 . . . . 71 GLU N . 11138 1 825 . 1 1 72 72 LYS H H 1 8.769 0.030 . 1 . . . . 72 LYS H . 11138 1 826 . 1 1 72 72 LYS HA H 1 3.969 0.030 . 1 . . . . 72 LYS HA . 11138 1 827 . 1 1 72 72 LYS HB2 H 1 1.647 0.030 . 2 . . . . 72 LYS HB2 . 11138 1 828 . 1 1 72 72 LYS HB3 H 1 1.720 0.030 . 2 . . . . 72 LYS HB3 . 11138 1 829 . 1 1 72 72 LYS HD2 H 1 1.533 0.030 . 1 . . . . 72 LYS HD2 . 11138 1 830 . 1 1 72 72 LYS HD3 H 1 1.533 0.030 . 1 . . . . 72 LYS HD3 . 11138 1 831 . 1 1 72 72 LYS HE2 H 1 2.813 0.030 . 1 . . . . 72 LYS HE2 . 11138 1 832 . 1 1 72 72 LYS HE3 H 1 2.813 0.030 . 1 . . . . 72 LYS HE3 . 11138 1 833 . 1 1 72 72 LYS HG2 H 1 1.309 0.030 . 2 . . . . 72 LYS HG2 . 11138 1 834 . 1 1 72 72 LYS HG3 H 1 1.397 0.030 . 2 . . . . 72 LYS HG3 . 11138 1 835 . 1 1 72 72 LYS C C 13 176.462 0.300 . 1 . . . . 72 LYS C . 11138 1 836 . 1 1 72 72 LYS CA C 13 56.652 0.300 . 1 . . . . 72 LYS CA . 11138 1 837 . 1 1 72 72 LYS CB C 13 29.232 0.300 . 1 . . . . 72 LYS CB . 11138 1 838 . 1 1 72 72 LYS CD C 13 26.239 0.300 . 1 . . . . 72 LYS CD . 11138 1 839 . 1 1 72 72 LYS CE C 13 39.686 0.300 . 1 . . . . 72 LYS CE . 11138 1 840 . 1 1 72 72 LYS CG C 13 22.475 0.300 . 1 . . . . 72 LYS CG . 11138 1 841 . 1 1 72 72 LYS N N 15 116.845 0.300 . 1 . . . . 72 LYS N . 11138 1 842 . 1 1 73 73 ASN H H 1 7.394 0.030 . 1 . . . . 73 ASN H . 11138 1 843 . 1 1 73 73 ASN HA H 1 4.510 0.030 . 1 . . . . 73 ASN HA . 11138 1 844 . 1 1 73 73 ASN HB2 H 1 3.488 0.030 . 2 . . . . 73 ASN HB2 . 11138 1 845 . 1 1 73 73 ASN HB3 H 1 2.894 0.030 . 2 . . . . 73 ASN HB3 . 11138 1 846 . 1 1 73 73 ASN HD21 H 1 8.078 0.030 . 2 . . . . 73 ASN HD21 . 11138 1 847 . 1 1 73 73 ASN HD22 H 1 7.086 0.030 . 2 . . . . 73 ASN HD22 . 11138 1 848 . 1 1 73 73 ASN C C 13 175.300 0.300 . 1 . . . . 73 ASN C . 11138 1 849 . 1 1 73 73 ASN CA C 13 54.395 0.300 . 1 . . . . 73 ASN CA . 11138 1 850 . 1 1 73 73 ASN CB C 13 34.709 0.300 . 1 . . . . 73 ASN CB . 11138 1 851 . 1 1 73 73 ASN N N 15 119.374 0.300 . 1 . . . . 73 ASN N . 11138 1 852 . 1 1 73 73 ASN ND2 N 15 113.119 0.300 . 1 . . . . 73 ASN ND2 . 11138 1 853 . 1 1 74 74 THR H H 1 8.350 0.030 . 1 . . . . 74 THR H . 11138 1 854 . 1 1 74 74 THR HA H 1 3.724 0.030 . 1 . . . . 74 THR HA . 11138 1 855 . 1 1 74 74 THR HB H 1 3.777 0.030 . 1 . . . . 74 THR HB . 11138 1 856 . 1 1 74 74 THR HG21 H 1 1.023 0.030 . 1 . . . . 74 THR HG2 . 11138 1 857 . 1 1 74 74 THR HG22 H 1 1.023 0.030 . 1 . . . . 74 THR HG2 . 11138 1 858 . 1 1 74 74 THR HG23 H 1 1.023 0.030 . 1 . . . . 74 THR HG2 . 11138 1 859 . 1 1 74 74 THR C C 13 174.362 0.300 . 1 . . . . 74 THR C . 11138 1 860 . 1 1 74 74 THR CA C 13 63.663 0.300 . 1 . . . . 74 THR CA . 11138 1 861 . 1 1 74 74 THR CB C 13 65.652 0.300 . 1 . . . . 74 THR CB . 11138 1 862 . 1 1 74 74 THR CG2 C 13 20.696 0.300 . 1 . . . . 74 THR CG2 . 11138 1 863 . 1 1 74 74 THR N N 15 111.194 0.300 . 1 . . . . 74 THR N . 11138 1 864 . 1 1 75 75 GLU H H 1 7.257 0.030 . 1 . . . . 75 GLU H . 11138 1 865 . 1 1 75 75 GLU HA H 1 3.528 0.030 . 1 . . . . 75 GLU HA . 11138 1 866 . 1 1 75 75 GLU HB2 H 1 1.982 0.030 . 2 . . . . 75 GLU HB2 . 11138 1 867 . 1 1 75 75 GLU HB3 H 1 1.880 0.030 . 2 . . . . 75 GLU HB3 . 11138 1 868 . 1 1 75 75 GLU HG2 H 1 2.374 0.030 . 2 . . . . 75 GLU HG2 . 11138 1 869 . 1 1 75 75 GLU HG3 H 1 1.894 0.030 . 2 . . . . 75 GLU HG3 . 11138 1 870 . 1 1 75 75 GLU C C 13 175.553 0.300 . 1 . . . . 75 GLU C . 11138 1 871 . 1 1 75 75 GLU CA C 13 57.212 0.300 . 1 . . . . 75 GLU CA . 11138 1 872 . 1 1 75 75 GLU CB C 13 27.254 0.300 . 1 . . . . 75 GLU CB . 11138 1 873 . 1 1 75 75 GLU CG C 13 34.677 0.300 . 1 . . . . 75 GLU CG . 11138 1 874 . 1 1 75 75 GLU N N 15 122.109 0.300 . 1 . . . . 75 GLU N . 11138 1 875 . 1 1 76 76 ALA H H 1 7.470 0.030 . 1 . . . . 76 ALA H . 11138 1 876 . 1 1 76 76 ALA HA H 1 3.927 0.030 . 1 . . . . 76 ALA HA . 11138 1 877 . 1 1 76 76 ALA HB1 H 1 1.257 0.030 . 1 . . . . 76 ALA HB . 11138 1 878 . 1 1 76 76 ALA HB2 H 1 1.257 0.030 . 1 . . . . 76 ALA HB . 11138 1 879 . 1 1 76 76 ALA HB3 H 1 1.257 0.030 . 1 . . . . 76 ALA HB . 11138 1 880 . 1 1 76 76 ALA C C 13 178.507 0.300 . 1 . . . . 76 ALA C . 11138 1 881 . 1 1 76 76 ALA CA C 13 52.436 0.300 . 1 . . . . 76 ALA CA . 11138 1 882 . 1 1 76 76 ALA CB C 13 16.089 0.300 . 1 . . . . 76 ALA CB . 11138 1 883 . 1 1 76 76 ALA N N 15 121.803 0.300 . 1 . . . . 76 ALA N . 11138 1 884 . 1 1 77 77 ALA H H 1 7.903 0.030 . 1 . . . . 77 ALA H . 11138 1 885 . 1 1 77 77 ALA HA H 1 3.366 0.030 . 1 . . . . 77 ALA HA . 11138 1 886 . 1 1 77 77 ALA HB1 H 1 1.125 0.030 . 1 . . . . 77 ALA HB . 11138 1 887 . 1 1 77 77 ALA HB2 H 1 1.125 0.030 . 1 . . . . 77 ALA HB . 11138 1 888 . 1 1 77 77 ALA HB3 H 1 1.125 0.030 . 1 . . . . 77 ALA HB . 11138 1 889 . 1 1 77 77 ALA C C 13 176.051 0.300 . 1 . . . . 77 ALA C . 11138 1 890 . 1 1 77 77 ALA CA C 13 52.431 0.300 . 1 . . . . 77 ALA CA . 11138 1 891 . 1 1 77 77 ALA CB C 13 16.998 0.300 . 1 . . . . 77 ALA CB . 11138 1 892 . 1 1 77 77 ALA N N 15 121.200 0.300 . 1 . . . . 77 ALA N . 11138 1 893 . 1 1 78 78 ARG H H 1 8.246 0.030 . 1 . . . . 78 ARG H . 11138 1 894 . 1 1 78 78 ARG HA H 1 3.408 0.030 . 1 . . . . 78 ARG HA . 11138 1 895 . 1 1 78 78 ARG HB2 H 1 2.201 0.030 . 2 . . . . 78 ARG HB2 . 11138 1 896 . 1 1 78 78 ARG HB3 H 1 1.570 0.030 . 2 . . . . 78 ARG HB3 . 11138 1 897 . 1 1 78 78 ARG HD2 H 1 3.159 0.030 . 2 . . . . 78 ARG HD2 . 11138 1 898 . 1 1 78 78 ARG HD3 H 1 3.012 0.030 . 2 . . . . 78 ARG HD3 . 11138 1 899 . 1 1 78 78 ARG HE H 1 6.940 0.030 . 1 . . . . 78 ARG HE . 11138 1 900 . 1 1 78 78 ARG HG2 H 1 1.251 0.030 . 2 . . . . 78 ARG HG2 . 11138 1 901 . 1 1 78 78 ARG HG3 H 1 1.597 0.030 . 2 . . . . 78 ARG HG3 . 11138 1 902 . 1 1 78 78 ARG C C 13 175.327 0.300 . 1 . . . . 78 ARG C . 11138 1 903 . 1 1 78 78 ARG CA C 13 57.618 0.300 . 1 . . . . 78 ARG CA . 11138 1 904 . 1 1 78 78 ARG CB C 13 25.816 0.300 . 1 . . . . 78 ARG CB . 11138 1 905 . 1 1 78 78 ARG CD C 13 40.631 0.300 . 1 . . . . 78 ARG CD . 11138 1 906 . 1 1 78 78 ARG CG C 13 23.381 0.300 . 1 . . . . 78 ARG CG . 11138 1 907 . 1 1 78 78 ARG N N 15 119.545 0.300 . 1 . . . . 78 ARG N . 11138 1 908 . 1 1 78 78 ARG NE N 15 82.467 0.300 . 1 . . . . 78 ARG NE . 11138 1 909 . 1 1 79 79 ASP H H 1 8.045 0.030 . 1 . . . . 79 ASP H . 11138 1 910 . 1 1 79 79 ASP HA H 1 4.151 0.030 . 1 . . . . 79 ASP HA . 11138 1 911 . 1 1 79 79 ASP HB2 H 1 2.510 0.030 . 2 . . . . 79 ASP HB2 . 11138 1 912 . 1 1 79 79 ASP HB3 H 1 2.643 0.030 . 2 . . . . 79 ASP HB3 . 11138 1 913 . 1 1 79 79 ASP C C 13 176.284 0.300 . 1 . . . . 79 ASP C . 11138 1 914 . 1 1 79 79 ASP CA C 13 55.079 0.300 . 1 . . . . 79 ASP CA . 11138 1 915 . 1 1 79 79 ASP CB C 13 37.022 0.300 . 1 . . . . 79 ASP CB . 11138 1 916 . 1 1 79 79 ASP N N 15 118.957 0.300 . 1 . . . . 79 ASP N . 11138 1 917 . 1 1 80 80 ALA H H 1 7.620 0.030 . 1 . . . . 80 ALA H . 11138 1 918 . 1 1 80 80 ALA HA H 1 4.001 0.030 . 1 . . . . 80 ALA HA . 11138 1 919 . 1 1 80 80 ALA HB1 H 1 1.454 0.030 . 1 . . . . 80 ALA HB . 11138 1 920 . 1 1 80 80 ALA HB2 H 1 1.454 0.030 . 1 . . . . 80 ALA HB . 11138 1 921 . 1 1 80 80 ALA HB3 H 1 1.454 0.030 . 1 . . . . 80 ALA HB . 11138 1 922 . 1 1 80 80 ALA C C 13 178.201 0.300 . 1 . . . . 80 ALA C . 11138 1 923 . 1 1 80 80 ALA CA C 13 52.964 0.300 . 1 . . . . 80 ALA CA . 11138 1 924 . 1 1 80 80 ALA CB C 13 15.939 0.300 . 1 . . . . 80 ALA CB . 11138 1 925 . 1 1 80 80 ALA N N 15 122.720 0.300 . 1 . . . . 80 ALA N . 11138 1 926 . 1 1 81 81 ILE H H 1 8.047 0.030 . 1 . . . . 81 ILE H . 11138 1 927 . 1 1 81 81 ILE HA H 1 3.465 0.030 . 1 . . . . 81 ILE HA . 11138 1 928 . 1 1 81 81 ILE HB H 1 1.892 0.030 . 1 . . . . 81 ILE HB . 11138 1 929 . 1 1 81 81 ILE HD11 H 1 0.567 0.030 . 1 . . . . 81 ILE HD1 . 11138 1 930 . 1 1 81 81 ILE HD12 H 1 0.567 0.030 . 1 . . . . 81 ILE HD1 . 11138 1 931 . 1 1 81 81 ILE HD13 H 1 0.567 0.030 . 1 . . . . 81 ILE HD1 . 11138 1 932 . 1 1 81 81 ILE HG12 H 1 0.769 0.030 . 2 . . . . 81 ILE HG12 . 11138 1 933 . 1 1 81 81 ILE HG13 H 1 1.762 0.030 . 2 . . . . 81 ILE HG13 . 11138 1 934 . 1 1 81 81 ILE HG21 H 1 0.641 0.030 . 1 . . . . 81 ILE HG2 . 11138 1 935 . 1 1 81 81 ILE HG22 H 1 0.641 0.030 . 1 . . . . 81 ILE HG2 . 11138 1 936 . 1 1 81 81 ILE HG23 H 1 0.641 0.030 . 1 . . . . 81 ILE HG2 . 11138 1 937 . 1 1 81 81 ILE C C 13 175.271 0.300 . 1 . . . . 81 ILE C . 11138 1 938 . 1 1 81 81 ILE CA C 13 63.267 0.300 . 1 . . . . 81 ILE CA . 11138 1 939 . 1 1 81 81 ILE CB C 13 35.494 0.300 . 1 . . . . 81 ILE CB . 11138 1 940 . 1 1 81 81 ILE CD1 C 13 10.973 0.300 . 1 . . . . 81 ILE CD1 . 11138 1 941 . 1 1 81 81 ILE CG1 C 13 27.552 0.300 . 1 . . . . 81 ILE CG1 . 11138 1 942 . 1 1 81 81 ILE CG2 C 13 14.368 0.300 . 1 . . . . 81 ILE CG2 . 11138 1 943 . 1 1 81 81 ILE N N 15 119.303 0.300 . 1 . . . . 81 ILE N . 11138 1 944 . 1 1 82 82 LEU H H 1 8.557 0.030 . 1 . . . . 82 LEU H . 11138 1 945 . 1 1 82 82 LEU HA H 1 3.895 0.030 . 1 . . . . 82 LEU HA . 11138 1 946 . 1 1 82 82 LEU HB2 H 1 1.807 0.030 . 2 . . . . 82 LEU HB2 . 11138 1 947 . 1 1 82 82 LEU HB3 H 1 1.329 0.030 . 2 . . . . 82 LEU HB3 . 11138 1 948 . 1 1 82 82 LEU HD11 H 1 0.792 0.030 . 1 . . . . 82 LEU HD1 . 11138 1 949 . 1 1 82 82 LEU HD12 H 1 0.792 0.030 . 1 . . . . 82 LEU HD1 . 11138 1 950 . 1 1 82 82 LEU HD13 H 1 0.792 0.030 . 1 . . . . 82 LEU HD1 . 11138 1 951 . 1 1 82 82 LEU HD21 H 1 0.672 0.030 . 1 . . . . 82 LEU HD2 . 11138 1 952 . 1 1 82 82 LEU HD22 H 1 0.672 0.030 . 1 . . . . 82 LEU HD2 . 11138 1 953 . 1 1 82 82 LEU HD23 H 1 0.672 0.030 . 1 . . . . 82 LEU HD2 . 11138 1 954 . 1 1 82 82 LEU HG H 1 1.676 0.030 . 1 . . . . 82 LEU HG . 11138 1 955 . 1 1 82 82 LEU C C 13 178.231 0.300 . 1 . . . . 82 LEU C . 11138 1 956 . 1 1 82 82 LEU CA C 13 55.308 0.300 . 1 . . . . 82 LEU CA . 11138 1 957 . 1 1 82 82 LEU CB C 13 38.063 0.300 . 1 . . . . 82 LEU CB . 11138 1 958 . 1 1 82 82 LEU CD1 C 13 23.160 0.300 . 2 . . . . 82 LEU CD1 . 11138 1 959 . 1 1 82 82 LEU CD2 C 13 19.041 0.300 . 2 . . . . 82 LEU CD2 . 11138 1 960 . 1 1 82 82 LEU CG C 13 24.489 0.300 . 1 . . . . 82 LEU CG . 11138 1 961 . 1 1 82 82 LEU N N 15 118.182 0.300 . 1 . . . . 82 LEU N . 11138 1 962 . 1 1 83 83 ARG H H 1 7.964 0.030 . 1 . . . . 83 ARG H . 11138 1 963 . 1 1 83 83 ARG HA H 1 4.011 0.030 . 1 . . . . 83 ARG HA . 11138 1 964 . 1 1 83 83 ARG HB2 H 1 1.891 0.030 . 2 . . . . 83 ARG HB2 . 11138 1 965 . 1 1 83 83 ARG HB3 H 1 1.841 0.030 . 2 . . . . 83 ARG HB3 . 11138 1 966 . 1 1 83 83 ARG HD2 H 1 3.097 0.030 . 2 . . . . 83 ARG HD2 . 11138 1 967 . 1 1 83 83 ARG HD3 H 1 3.152 0.030 . 2 . . . . 83 ARG HD3 . 11138 1 968 . 1 1 83 83 ARG HG2 H 1 1.452 0.030 . 2 . . . . 83 ARG HG2 . 11138 1 969 . 1 1 83 83 ARG HG3 H 1 1.724 0.030 . 2 . . . . 83 ARG HG3 . 11138 1 970 . 1 1 83 83 ARG C C 13 176.913 0.300 . 1 . . . . 83 ARG C . 11138 1 971 . 1 1 83 83 ARG CA C 13 57.260 0.300 . 1 . . . . 83 ARG CA . 11138 1 972 . 1 1 83 83 ARG CB C 13 27.624 0.300 . 1 . . . . 83 ARG CB . 11138 1 973 . 1 1 83 83 ARG CD C 13 41.114 0.300 . 1 . . . . 83 ARG CD . 11138 1 974 . 1 1 83 83 ARG CG C 13 25.565 0.300 . 1 . . . . 83 ARG CG . 11138 1 975 . 1 1 83 83 ARG N N 15 121.424 0.300 . 1 . . . . 83 ARG N . 11138 1 976 . 1 1 84 84 ILE H H 1 7.291 0.030 . 1 . . . . 84 ILE H . 11138 1 977 . 1 1 84 84 ILE HA H 1 3.639 0.030 . 1 . . . . 84 ILE HA . 11138 1 978 . 1 1 84 84 ILE HB H 1 1.991 0.030 . 1 . . . . 84 ILE HB . 11138 1 979 . 1 1 84 84 ILE HD11 H 1 0.770 0.030 . 1 . . . . 84 ILE HD1 . 11138 1 980 . 1 1 84 84 ILE HD12 H 1 0.770 0.030 . 1 . . . . 84 ILE HD1 . 11138 1 981 . 1 1 84 84 ILE HD13 H 1 0.770 0.030 . 1 . . . . 84 ILE HD1 . 11138 1 982 . 1 1 84 84 ILE HG12 H 1 1.027 0.030 . 2 . . . . 84 ILE HG12 . 11138 1 983 . 1 1 84 84 ILE HG13 H 1 1.712 0.030 . 2 . . . . 84 ILE HG13 . 11138 1 984 . 1 1 84 84 ILE HG21 H 1 0.738 0.030 . 1 . . . . 84 ILE HG2 . 11138 1 985 . 1 1 84 84 ILE HG22 H 1 0.738 0.030 . 1 . . . . 84 ILE HG2 . 11138 1 986 . 1 1 84 84 ILE HG23 H 1 0.738 0.030 . 1 . . . . 84 ILE HG2 . 11138 1 987 . 1 1 84 84 ILE C C 13 176.073 0.300 . 1 . . . . 84 ILE C . 11138 1 988 . 1 1 84 84 ILE CA C 13 62.707 0.300 . 1 . . . . 84 ILE CA . 11138 1 989 . 1 1 84 84 ILE CB C 13 35.633 0.300 . 1 . . . . 84 ILE CB . 11138 1 990 . 1 1 84 84 ILE CD1 C 13 11.960 0.300 . 1 . . . . 84 ILE CD1 . 11138 1 991 . 1 1 84 84 ILE CG1 C 13 26.429 0.300 . 1 . . . . 84 ILE CG1 . 11138 1 992 . 1 1 84 84 ILE CG2 C 13 14.885 0.300 . 1 . . . . 84 ILE CG2 . 11138 1 993 . 1 1 84 84 ILE N N 15 120.617 0.300 . 1 . . . . 84 ILE N . 11138 1 994 . 1 1 85 85 VAL H H 1 7.824 0.030 . 1 . . . . 85 VAL H . 11138 1 995 . 1 1 85 85 VAL HA H 1 3.004 0.030 . 1 . . . . 85 VAL HA . 11138 1 996 . 1 1 85 85 VAL HB H 1 1.874 0.030 . 1 . . . . 85 VAL HB . 11138 1 997 . 1 1 85 85 VAL HG11 H 1 0.492 0.030 . 1 . . . . 85 VAL HG1 . 11138 1 998 . 1 1 85 85 VAL HG12 H 1 0.492 0.030 . 1 . . . . 85 VAL HG1 . 11138 1 999 . 1 1 85 85 VAL HG13 H 1 0.492 0.030 . 1 . . . . 85 VAL HG1 . 11138 1 1000 . 1 1 85 85 VAL HG21 H 1 0.811 0.030 . 1 . . . . 85 VAL HG2 . 11138 1 1001 . 1 1 85 85 VAL HG22 H 1 0.811 0.030 . 1 . . . . 85 VAL HG2 . 11138 1 1002 . 1 1 85 85 VAL HG23 H 1 0.811 0.030 . 1 . . . . 85 VAL HG2 . 11138 1 1003 . 1 1 85 85 VAL C C 13 174.969 0.300 . 1 . . . . 85 VAL C . 11138 1 1004 . 1 1 85 85 VAL CA C 13 64.530 0.300 . 1 . . . . 85 VAL CA . 11138 1 1005 . 1 1 85 85 VAL CB C 13 29.304 0.300 . 1 . . . . 85 VAL CB . 11138 1 1006 . 1 1 85 85 VAL CG1 C 13 18.485 0.300 . 2 . . . . 85 VAL CG1 . 11138 1 1007 . 1 1 85 85 VAL CG2 C 13 21.458 0.300 . 2 . . . . 85 VAL CG2 . 11138 1 1008 . 1 1 85 85 VAL N N 15 118.500 0.300 . 1 . . . . 85 VAL N . 11138 1 1009 . 1 1 86 86 GLY H H 1 7.966 0.030 . 1 . . . . 86 GLY H . 11138 1 1010 . 1 1 86 86 GLY HA2 H 1 3.754 0.030 . 1 . . . . 86 GLY HA2 . 11138 1 1011 . 1 1 86 86 GLY HA3 H 1 3.754 0.030 . 1 . . . . 86 GLY HA3 . 11138 1 1012 . 1 1 86 86 GLY C C 13 173.926 0.300 . 1 . . . . 86 GLY C . 11138 1 1013 . 1 1 86 86 GLY CA C 13 44.574 0.300 . 1 . . . . 86 GLY CA . 11138 1 1014 . 1 1 86 86 GLY N N 15 104.938 0.300 . 1 . . . . 86 GLY N . 11138 1 1015 . 1 1 87 87 GLU H H 1 7.504 0.030 . 1 . . . . 87 GLU H . 11138 1 1016 . 1 1 87 87 GLU HA H 1 4.018 0.030 . 1 . . . . 87 GLU HA . 11138 1 1017 . 1 1 87 87 GLU HB2 H 1 2.075 0.030 . 2 . . . . 87 GLU HB2 . 11138 1 1018 . 1 1 87 87 GLU HB3 H 1 1.963 0.030 . 2 . . . . 87 GLU HB3 . 11138 1 1019 . 1 1 87 87 GLU HG2 H 1 2.115 0.030 . 2 . . . . 87 GLU HG2 . 11138 1 1020 . 1 1 87 87 GLU HG3 H 1 2.335 0.030 . 2 . . . . 87 GLU HG3 . 11138 1 1021 . 1 1 87 87 GLU C C 13 176.675 0.300 . 1 . . . . 87 GLU C . 11138 1 1022 . 1 1 87 87 GLU CA C 13 56.320 0.300 . 1 . . . . 87 GLU CA . 11138 1 1023 . 1 1 87 87 GLU CB C 13 27.336 0.300 . 1 . . . . 87 GLU CB . 11138 1 1024 . 1 1 87 87 GLU CG C 13 34.139 0.300 . 1 . . . . 87 GLU CG . 11138 1 1025 . 1 1 87 87 GLU N N 15 120.487 0.300 . 1 . . . . 87 GLU N . 11138 1 1026 . 1 1 88 88 LEU H H 1 7.916 0.030 . 1 . . . . 88 LEU H . 11138 1 1027 . 1 1 88 88 LEU HA H 1 4.045 0.030 . 1 . . . . 88 LEU HA . 11138 1 1028 . 1 1 88 88 LEU HB2 H 1 1.665 0.030 . 2 . . . . 88 LEU HB2 . 11138 1 1029 . 1 1 88 88 LEU HB3 H 1 1.332 0.030 . 2 . . . . 88 LEU HB3 . 11138 1 1030 . 1 1 88 88 LEU HD11 H 1 0.720 0.030 . 1 . . . . 88 LEU HD1 . 11138 1 1031 . 1 1 88 88 LEU HD12 H 1 0.720 0.030 . 1 . . . . 88 LEU HD1 . 11138 1 1032 . 1 1 88 88 LEU HD13 H 1 0.720 0.030 . 1 . . . . 88 LEU HD1 . 11138 1 1033 . 1 1 88 88 LEU HD21 H 1 0.800 0.030 . 1 . . . . 88 LEU HD2 . 11138 1 1034 . 1 1 88 88 LEU HD22 H 1 0.800 0.030 . 1 . . . . 88 LEU HD2 . 11138 1 1035 . 1 1 88 88 LEU HD23 H 1 0.800 0.030 . 1 . . . . 88 LEU HD2 . 11138 1 1036 . 1 1 88 88 LEU HG H 1 1.811 0.030 . 1 . . . . 88 LEU HG . 11138 1 1037 . 1 1 88 88 LEU C C 13 177.444 0.300 . 1 . . . . 88 LEU C . 11138 1 1038 . 1 1 88 88 LEU CA C 13 54.715 0.300 . 1 . . . . 88 LEU CA . 11138 1 1039 . 1 1 88 88 LEU CB C 13 39.324 0.300 . 1 . . . . 88 LEU CB . 11138 1 1040 . 1 1 88 88 LEU CD1 C 13 24.418 0.300 . 2 . . . . 88 LEU CD1 . 11138 1 1041 . 1 1 88 88 LEU CD2 C 13 20.476 0.300 . 2 . . . . 88 LEU CD2 . 11138 1 1042 . 1 1 88 88 LEU CG C 13 24.183 0.300 . 1 . . . . 88 LEU CG . 11138 1 1043 . 1 1 88 88 LEU N N 15 120.198 0.300 . 1 . . . . 88 LEU N . 11138 1 1044 . 1 1 89 89 GLU H H 1 8.320 0.030 . 1 . . . . 89 GLU H . 11138 1 1045 . 1 1 89 89 GLU HA H 1 4.103 0.030 . 1 . . . . 89 GLU HA . 11138 1 1046 . 1 1 89 89 GLU HB2 H 1 2.018 0.030 . 2 . . . . 89 GLU HB2 . 11138 1 1047 . 1 1 89 89 GLU HB3 H 1 1.966 0.030 . 2 . . . . 89 GLU HB3 . 11138 1 1048 . 1 1 89 89 GLU HG2 H 1 2.181 0.030 . 2 . . . . 89 GLU HG2 . 11138 1 1049 . 1 1 89 89 GLU HG3 H 1 2.285 0.030 . 2 . . . . 89 GLU HG3 . 11138 1 1050 . 1 1 89 89 GLU C C 13 175.594 0.300 . 1 . . . . 89 GLU C . 11138 1 1051 . 1 1 89 89 GLU CA C 13 55.683 0.300 . 1 . . . . 89 GLU CA . 11138 1 1052 . 1 1 89 89 GLU CB C 13 27.737 0.300 . 1 . . . . 89 GLU CB . 11138 1 1053 . 1 1 89 89 GLU CG C 13 34.115 0.300 . 1 . . . . 89 GLU CG . 11138 1 1054 . 1 1 89 89 GLU N N 15 119.346 0.300 . 1 . . . . 89 GLU N . 11138 1 1055 . 1 1 90 90 GLN H H 1 7.661 0.030 . 1 . . . . 90 GLN H . 11138 1 1056 . 1 1 90 90 GLN HA H 1 4.158 0.030 . 1 . . . . 90 GLN HA . 11138 1 1057 . 1 1 90 90 GLN HB2 H 1 2.118 0.030 . 2 . . . . 90 GLN HB2 . 11138 1 1058 . 1 1 90 90 GLN HB3 H 1 2.008 0.030 . 2 . . . . 90 GLN HB3 . 11138 1 1059 . 1 1 90 90 GLN HE21 H 1 7.422 0.030 . 2 . . . . 90 GLN HE21 . 11138 1 1060 . 1 1 90 90 GLN HE22 H 1 6.733 0.030 . 2 . . . . 90 GLN HE22 . 11138 1 1061 . 1 1 90 90 GLN HG2 H 1 2.375 0.030 . 1 . . . . 90 GLN HG2 . 11138 1 1062 . 1 1 90 90 GLN HG3 H 1 2.375 0.030 . 1 . . . . 90 GLN HG3 . 11138 1 1063 . 1 1 90 90 GLN C C 13 174.398 0.300 . 1 . . . . 90 GLN C . 11138 1 1064 . 1 1 90 90 GLN CA C 13 54.401 0.300 . 1 . . . . 90 GLN CA . 11138 1 1065 . 1 1 90 90 GLN CB C 13 26.651 0.300 . 1 . . . . 90 GLN CB . 11138 1 1066 . 1 1 90 90 GLN CG C 13 31.549 0.300 . 1 . . . . 90 GLN CG . 11138 1 1067 . 1 1 90 90 GLN N N 15 117.539 0.300 . 1 . . . . 90 GLN N . 11138 1 1068 . 1 1 90 90 GLN NE2 N 15 112.067 0.300 . 1 . . . . 90 GLN NE2 . 11138 1 1069 . 1 1 91 91 MET H H 1 7.835 0.030 . 1 . . . . 91 MET H . 11138 1 1070 . 1 1 91 91 MET HA H 1 4.381 0.030 . 1 . . . . 91 MET HA . 11138 1 1071 . 1 1 91 91 MET HB2 H 1 2.101 0.030 . 2 . . . . 91 MET HB2 . 11138 1 1072 . 1 1 91 91 MET HB3 H 1 2.028 0.030 . 2 . . . . 91 MET HB3 . 11138 1 1073 . 1 1 91 91 MET HE1 H 1 2.015 0.030 . 1 . . . . 91 MET HE . 11138 1 1074 . 1 1 91 91 MET HE2 H 1 2.015 0.030 . 1 . . . . 91 MET HE . 11138 1 1075 . 1 1 91 91 MET HE3 H 1 2.015 0.030 . 1 . . . . 91 MET HE . 11138 1 1076 . 1 1 91 91 MET HG2 H 1 2.532 0.030 . 2 . . . . 91 MET HG2 . 11138 1 1077 . 1 1 91 91 MET HG3 H 1 2.635 0.030 . 2 . . . . 91 MET HG3 . 11138 1 1078 . 1 1 91 91 MET C C 13 174.118 0.300 . 1 . . . . 91 MET C . 11138 1 1079 . 1 1 91 91 MET CA C 13 53.776 0.300 . 1 . . . . 91 MET CA . 11138 1 1080 . 1 1 91 91 MET CB C 13 30.505 0.300 . 1 . . . . 91 MET CB . 11138 1 1081 . 1 1 91 91 MET CE C 13 14.627 0.300 . 1 . . . . 91 MET CE . 11138 1 1082 . 1 1 91 91 MET CG C 13 29.677 0.300 . 1 . . . . 91 MET CG . 11138 1 1083 . 1 1 91 91 MET N N 15 118.698 0.300 . 1 . . . . 91 MET N . 11138 1 1084 . 1 1 92 92 SER H H 1 8.037 0.030 . 1 . . . . 92 SER H . 11138 1 1085 . 1 1 92 92 SER HA H 1 4.422 0.030 . 1 . . . . 92 SER HA . 11138 1 1086 . 1 1 92 92 SER HB2 H 1 3.839 0.030 . 1 . . . . 92 SER HB2 . 11138 1 1087 . 1 1 92 92 SER HB3 H 1 3.839 0.030 . 1 . . . . 92 SER HB3 . 11138 1 1088 . 1 1 92 92 SER C C 13 172.240 0.300 . 1 . . . . 92 SER C . 11138 1 1089 . 1 1 92 92 SER CA C 13 56.279 0.300 . 1 . . . . 92 SER CA . 11138 1 1090 . 1 1 92 92 SER CB C 13 61.733 0.300 . 1 . . . . 92 SER CB . 11138 1 1091 . 1 1 92 92 SER N N 15 115.732 0.300 . 1 . . . . 92 SER N . 11138 1 1092 . 1 1 93 93 GLY H H 1 8.085 0.030 . 1 . . . . 93 GLY H . 11138 1 1093 . 1 1 93 93 GLY HA2 H 1 4.013 0.030 . 2 . . . . 93 GLY HA2 . 11138 1 1094 . 1 1 93 93 GLY HA3 H 1 4.095 0.030 . 2 . . . . 93 GLY HA3 . 11138 1 1095 . 1 1 93 93 GLY C C 13 169.486 0.300 . 1 . . . . 93 GLY C . 11138 1 1096 . 1 1 93 93 GLY CA C 13 42.419 0.300 . 1 . . . . 93 GLY CA . 11138 1 1097 . 1 1 93 93 GLY N N 15 110.187 0.300 . 1 . . . . 93 GLY N . 11138 1 1098 . 1 1 94 94 PRO HA H 1 4.389 0.030 . 1 . . . . 94 PRO HA . 11138 1 1099 . 1 1 94 94 PRO HB2 H 1 2.207 0.030 . 2 . . . . 94 PRO HB2 . 11138 1 1100 . 1 1 94 94 PRO HB3 H 1 1.886 0.030 . 2 . . . . 94 PRO HB3 . 11138 1 1101 . 1 1 94 94 PRO HD2 H 1 3.548 0.030 . 1 . . . . 94 PRO HD2 . 11138 1 1102 . 1 1 94 94 PRO HD3 H 1 3.548 0.030 . 1 . . . . 94 PRO HD3 . 11138 1 1103 . 1 1 94 94 PRO HG2 H 1 1.930 0.030 . 1 . . . . 94 PRO HG2 . 11138 1 1104 . 1 1 94 94 PRO HG3 H 1 1.930 0.030 . 1 . . . . 94 PRO HG3 . 11138 1 1105 . 1 1 94 94 PRO C C 13 175.123 0.300 . 1 . . . . 94 PRO C . 11138 1 1106 . 1 1 94 94 PRO CA C 13 60.928 0.300 . 1 . . . . 94 PRO CA . 11138 1 1107 . 1 1 94 94 PRO CB C 13 29.839 0.300 . 1 . . . . 94 PRO CB . 11138 1 1108 . 1 1 94 94 PRO CD C 13 47.471 0.300 . 1 . . . . 94 PRO CD . 11138 1 1109 . 1 1 94 94 PRO CG C 13 24.814 0.300 . 1 . . . . 94 PRO CG . 11138 1 1110 . 1 1 95 95 SER H H 1 8.443 0.030 . 1 . . . . 95 SER H . 11138 1 1111 . 1 1 95 95 SER HA H 1 4.400 0.030 . 1 . . . . 95 SER HA . 11138 1 1112 . 1 1 95 95 SER HB2 H 1 3.817 0.030 . 2 . . . . 95 SER HB2 . 11138 1 1113 . 1 1 95 95 SER C C 13 172.356 0.300 . 1 . . . . 95 SER C . 11138 1 1114 . 1 1 95 95 SER CA C 13 56.067 0.300 . 1 . . . . 95 SER CA . 11138 1 1115 . 1 1 95 95 SER CB C 13 61.528 0.300 . 1 . . . . 95 SER CB . 11138 1 1116 . 1 1 95 95 SER N N 15 115.986 0.300 . 1 . . . . 95 SER N . 11138 1 1117 . 1 1 96 96 SER H H 1 8.233 0.030 . 1 . . . . 96 SER H . 11138 1 1118 . 1 1 96 96 SER HA H 1 4.400 0.030 . 1 . . . . 96 SER HA . 11138 1 1119 . 1 1 96 96 SER HB2 H 1 3.784 0.030 . 2 . . . . 96 SER HB2 . 11138 1 1120 . 1 1 96 96 SER C C 13 171.594 0.300 . 1 . . . . 96 SER C . 11138 1 1121 . 1 1 96 96 SER CA C 13 56.049 0.300 . 1 . . . . 96 SER CA . 11138 1 1122 . 1 1 96 96 SER CB C 13 61.816 0.300 . 1 . . . . 96 SER CB . 11138 1 1123 . 1 1 96 96 SER N N 15 117.475 0.300 . 1 . . . . 96 SER N . 11138 1 1124 . 1 1 97 97 GLY H H 1 7.957 0.030 . 1 . . . . 97 GLY H . 11138 1 1125 . 1 1 97 97 GLY HA2 H 1 3.653 0.030 . 2 . . . . 97 GLY HA2 . 11138 1 1126 . 1 1 97 97 GLY HA3 H 1 3.700 0.030 . 2 . . . . 97 GLY HA3 . 11138 1 1127 . 1 1 97 97 GLY C C 13 176.721 0.300 . 1 . . . . 97 GLY C . 11138 1 1128 . 1 1 97 97 GLY CA C 13 43.856 0.300 . 1 . . . . 97 GLY CA . 11138 1 1129 . 1 1 97 97 GLY N N 15 116.457 0.300 . 1 . . . . 97 GLY N . 11138 1 stop_ save_