data_11137 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11137 _Entry.Title ; Solution structure of the 14th 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 . . . 11137 2 T. Kigawa . . . 11137 3 S. Koshiba . . . 11137 4 M. Inoue . . . 11137 5 S. Yokoyama . . . 11137 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)' . 11137 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11137 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 391 11137 '15N chemical shifts' 86 11137 '1H chemical shifts' 625 11137 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 . 11137 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CTM 'BMRB Entry Tracking System' 11137 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11137 _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 14th 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 . . . 11137 1 2 T. Kigawa . . . 11137 1 3 S. Koshiba . . . 11137 1 4 M. Inoue . . . 11137 1 5 S. Yokoyama . . . 11137 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11137 _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 . . . 11137 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 2ctm . . . . . . 11137 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11137 _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 ; GSSGSSGRIVGELEQMVSED VPLDHRVHARIIGARGKAIR KIMDEFKVDIRFPQSGAPDP NCVTVTGLPENVEEAIDHIL NLEEEYLADSGPSSG ; _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2CTM . "Solution Structure Of The 14th Kh Type I Domain From Human Vigilin" . . . . . 100.00 95 100.00 100.00 5.64e-61 . . . . 11137 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'KH domain' . 11137 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 . 11137 1 2 . SER . 11137 1 3 . SER . 11137 1 4 . GLY . 11137 1 5 . SER . 11137 1 6 . SER . 11137 1 7 . GLY . 11137 1 8 . ARG . 11137 1 9 . ILE . 11137 1 10 . VAL . 11137 1 11 . GLY . 11137 1 12 . GLU . 11137 1 13 . LEU . 11137 1 14 . GLU . 11137 1 15 . GLN . 11137 1 16 . MET . 11137 1 17 . VAL . 11137 1 18 . SER . 11137 1 19 . GLU . 11137 1 20 . ASP . 11137 1 21 . VAL . 11137 1 22 . PRO . 11137 1 23 . LEU . 11137 1 24 . ASP . 11137 1 25 . HIS . 11137 1 26 . ARG . 11137 1 27 . VAL . 11137 1 28 . HIS . 11137 1 29 . ALA . 11137 1 30 . ARG . 11137 1 31 . ILE . 11137 1 32 . ILE . 11137 1 33 . GLY . 11137 1 34 . ALA . 11137 1 35 . ARG . 11137 1 36 . GLY . 11137 1 37 . LYS . 11137 1 38 . ALA . 11137 1 39 . ILE . 11137 1 40 . ARG . 11137 1 41 . LYS . 11137 1 42 . ILE . 11137 1 43 . MET . 11137 1 44 . ASP . 11137 1 45 . GLU . 11137 1 46 . PHE . 11137 1 47 . LYS . 11137 1 48 . VAL . 11137 1 49 . ASP . 11137 1 50 . ILE . 11137 1 51 . ARG . 11137 1 52 . PHE . 11137 1 53 . PRO . 11137 1 54 . GLN . 11137 1 55 . SER . 11137 1 56 . GLY . 11137 1 57 . ALA . 11137 1 58 . PRO . 11137 1 59 . ASP . 11137 1 60 . PRO . 11137 1 61 . ASN . 11137 1 62 . CYS . 11137 1 63 . VAL . 11137 1 64 . THR . 11137 1 65 . VAL . 11137 1 66 . THR . 11137 1 67 . GLY . 11137 1 68 . LEU . 11137 1 69 . PRO . 11137 1 70 . GLU . 11137 1 71 . ASN . 11137 1 72 . VAL . 11137 1 73 . GLU . 11137 1 74 . GLU . 11137 1 75 . ALA . 11137 1 76 . ILE . 11137 1 77 . ASP . 11137 1 78 . HIS . 11137 1 79 . ILE . 11137 1 80 . LEU . 11137 1 81 . ASN . 11137 1 82 . LEU . 11137 1 83 . GLU . 11137 1 84 . GLU . 11137 1 85 . GLU . 11137 1 86 . TYR . 11137 1 87 . LEU . 11137 1 88 . ALA . 11137 1 89 . ASP . 11137 1 90 . SER . 11137 1 91 . GLY . 11137 1 92 . PRO . 11137 1 93 . SER . 11137 1 94 . SER . 11137 1 95 . GLY . 11137 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 11137 1 . SER 2 2 11137 1 . SER 3 3 11137 1 . GLY 4 4 11137 1 . SER 5 5 11137 1 . SER 6 6 11137 1 . GLY 7 7 11137 1 . ARG 8 8 11137 1 . ILE 9 9 11137 1 . VAL 10 10 11137 1 . GLY 11 11 11137 1 . GLU 12 12 11137 1 . LEU 13 13 11137 1 . GLU 14 14 11137 1 . GLN 15 15 11137 1 . MET 16 16 11137 1 . VAL 17 17 11137 1 . SER 18 18 11137 1 . GLU 19 19 11137 1 . ASP 20 20 11137 1 . VAL 21 21 11137 1 . PRO 22 22 11137 1 . LEU 23 23 11137 1 . ASP 24 24 11137 1 . HIS 25 25 11137 1 . ARG 26 26 11137 1 . VAL 27 27 11137 1 . HIS 28 28 11137 1 . ALA 29 29 11137 1 . ARG 30 30 11137 1 . ILE 31 31 11137 1 . ILE 32 32 11137 1 . GLY 33 33 11137 1 . ALA 34 34 11137 1 . ARG 35 35 11137 1 . GLY 36 36 11137 1 . LYS 37 37 11137 1 . ALA 38 38 11137 1 . ILE 39 39 11137 1 . ARG 40 40 11137 1 . LYS 41 41 11137 1 . ILE 42 42 11137 1 . MET 43 43 11137 1 . ASP 44 44 11137 1 . GLU 45 45 11137 1 . PHE 46 46 11137 1 . LYS 47 47 11137 1 . VAL 48 48 11137 1 . ASP 49 49 11137 1 . ILE 50 50 11137 1 . ARG 51 51 11137 1 . PHE 52 52 11137 1 . PRO 53 53 11137 1 . GLN 54 54 11137 1 . SER 55 55 11137 1 . GLY 56 56 11137 1 . ALA 57 57 11137 1 . PRO 58 58 11137 1 . ASP 59 59 11137 1 . PRO 60 60 11137 1 . ASN 61 61 11137 1 . CYS 62 62 11137 1 . VAL 63 63 11137 1 . THR 64 64 11137 1 . VAL 65 65 11137 1 . THR 66 66 11137 1 . GLY 67 67 11137 1 . LEU 68 68 11137 1 . PRO 69 69 11137 1 . GLU 70 70 11137 1 . ASN 71 71 11137 1 . VAL 72 72 11137 1 . GLU 73 73 11137 1 . GLU 74 74 11137 1 . ALA 75 75 11137 1 . ILE 76 76 11137 1 . ASP 77 77 11137 1 . HIS 78 78 11137 1 . ILE 79 79 11137 1 . LEU 80 80 11137 1 . ASN 81 81 11137 1 . LEU 82 82 11137 1 . GLU 83 83 11137 1 . GLU 84 84 11137 1 . GLU 85 85 11137 1 . TYR 86 86 11137 1 . LEU 87 87 11137 1 . ALA 88 88 11137 1 . ASP 89 89 11137 1 . SER 90 90 11137 1 . GLY 91 91 11137 1 . PRO 92 92 11137 1 . SER 93 93 11137 1 . SER 94 94 11137 1 . GLY 95 95 11137 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 11137 _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 . . . . . . . . . . . . . . . . . . . . . 11137 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 11137 _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 . . . . . . . . . . . . . . . . P050131-16 . . . . . . 11137 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11137 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.33mM 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 1.33 . . mM . . . . 11137 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11137 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11137 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11137 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11137 1 6 H2O . . . . . . solvent 90 . . % . . . . 11137 1 7 D2O . . . . . . solvent 10 . . % . . . . 11137 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 11137 _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 11137 1 pH 7.0 0.05 pH 11137 1 pressure 1 0.001 atm 11137 1 temperature 298 0.1 K 11137 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11137 _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 . . 11137 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11137 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11137 _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.' . . 11137 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11137 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11137 _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.' . . 11137 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11137 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11137 _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.' . . 11137 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11137 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11137 _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.' . . 11137 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11137 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 11137 _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 11137 _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 . . . 11137 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 11137 _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 . . . . . . . . . . . . . . . . 11137 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11137 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 11137 _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 . . . . . . . . . 11137 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11137 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11137 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 11137 _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 11137 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11137 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 . . 11137 1 2 $NMRPipe . . 11137 1 3 $NMRview . . 11137 1 4 $Kujira . . 11137 1 5 $CYANA . . 11137 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.791 0.030 . 1 . . . . 1 GLY HA2 . 11137 1 2 . 1 1 1 1 GLY HA3 H 1 3.791 0.030 . 1 . . . . 1 GLY HA3 . 11137 1 3 . 1 1 1 1 GLY CA C 13 41.347 0.300 . 1 . . . . 1 GLY CA . 11137 1 4 . 1 1 4 4 GLY HA2 H 1 3.943 0.030 . 1 . . . . 4 GLY HA2 . 11137 1 5 . 1 1 4 4 GLY HA3 H 1 3.943 0.030 . 1 . . . . 4 GLY HA3 . 11137 1 6 . 1 1 4 4 GLY CA C 13 43.093 0.300 . 1 . . . . 4 GLY CA . 11137 1 7 . 1 1 6 6 SER HA H 1 4.412 0.030 . 1 . . . . 6 SER HA . 11137 1 8 . 1 1 6 6 SER HB2 H 1 3.840 0.030 . 1 . . . . 6 SER HB2 . 11137 1 9 . 1 1 6 6 SER HB3 H 1 3.840 0.030 . 1 . . . . 6 SER HB3 . 11137 1 10 . 1 1 6 6 SER CA C 13 56.473 0.300 . 1 . . . . 6 SER CA . 11137 1 11 . 1 1 6 6 SER CB C 13 61.499 0.300 . 1 . . . . 6 SER CB . 11137 1 12 . 1 1 7 7 GLY H H 1 8.255 0.030 . 1 . . . . 7 GLY H . 11137 1 13 . 1 1 7 7 GLY HA2 H 1 3.881 0.030 . 1 . . . . 7 GLY HA2 . 11137 1 14 . 1 1 7 7 GLY HA3 H 1 3.881 0.030 . 1 . . . . 7 GLY HA3 . 11137 1 15 . 1 1 7 7 GLY C C 13 171.441 0.300 . 1 . . . . 7 GLY C . 11137 1 16 . 1 1 7 7 GLY CA C 13 42.861 0.300 . 1 . . . . 7 GLY CA . 11137 1 17 . 1 1 7 7 GLY N N 15 110.223 0.300 . 1 . . . . 7 GLY N . 11137 1 18 . 1 1 8 8 ARG H H 1 8.012 0.030 . 1 . . . . 8 ARG H . 11137 1 19 . 1 1 8 8 ARG HA H 1 4.303 0.030 . 1 . . . . 8 ARG HA . 11137 1 20 . 1 1 8 8 ARG HB2 H 1 1.592 0.030 . 1 . . . . 8 ARG HB2 . 11137 1 21 . 1 1 8 8 ARG HB3 H 1 1.592 0.030 . 1 . . . . 8 ARG HB3 . 11137 1 22 . 1 1 8 8 ARG HD2 H 1 3.097 0.030 . 1 . . . . 8 ARG HD2 . 11137 1 23 . 1 1 8 8 ARG HD3 H 1 3.097 0.030 . 1 . . . . 8 ARG HD3 . 11137 1 24 . 1 1 8 8 ARG HG2 H 1 1.494 0.030 . 2 . . . . 8 ARG HG2 . 11137 1 25 . 1 1 8 8 ARG HG3 H 1 1.550 0.030 . 2 . . . . 8 ARG HG3 . 11137 1 26 . 1 1 8 8 ARG C C 13 173.800 0.300 . 1 . . . . 8 ARG C . 11137 1 27 . 1 1 8 8 ARG CA C 13 53.866 0.300 . 1 . . . . 8 ARG CA . 11137 1 28 . 1 1 8 8 ARG CB C 13 29.082 0.300 . 1 . . . . 8 ARG CB . 11137 1 29 . 1 1 8 8 ARG CD C 13 41.018 0.300 . 1 . . . . 8 ARG CD . 11137 1 30 . 1 1 8 8 ARG CG C 13 25.387 0.300 . 1 . . . . 8 ARG CG . 11137 1 31 . 1 1 8 8 ARG N N 15 120.522 0.300 . 1 . . . . 8 ARG N . 11137 1 32 . 1 1 9 9 ILE H H 1 8.328 0.030 . 1 . . . . 9 ILE H . 11137 1 33 . 1 1 9 9 ILE HA H 1 4.225 0.030 . 1 . . . . 9 ILE HA . 11137 1 34 . 1 1 9 9 ILE HB H 1 1.777 0.030 . 1 . . . . 9 ILE HB . 11137 1 35 . 1 1 9 9 ILE HD11 H 1 0.762 0.030 . 1 . . . . 9 ILE HD1 . 11137 1 36 . 1 1 9 9 ILE HD12 H 1 0.762 0.030 . 1 . . . . 9 ILE HD1 . 11137 1 37 . 1 1 9 9 ILE HD13 H 1 0.762 0.030 . 1 . . . . 9 ILE HD1 . 11137 1 38 . 1 1 9 9 ILE HG12 H 1 1.348 0.030 . 2 . . . . 9 ILE HG12 . 11137 1 39 . 1 1 9 9 ILE HG13 H 1 1.061 0.030 . 2 . . . . 9 ILE HG13 . 11137 1 40 . 1 1 9 9 ILE HG21 H 1 0.811 0.030 . 1 . . . . 9 ILE HG2 . 11137 1 41 . 1 1 9 9 ILE HG22 H 1 0.811 0.030 . 1 . . . . 9 ILE HG2 . 11137 1 42 . 1 1 9 9 ILE HG23 H 1 0.811 0.030 . 1 . . . . 9 ILE HG2 . 11137 1 43 . 1 1 9 9 ILE C C 13 173.270 0.300 . 1 . . . . 9 ILE C . 11137 1 44 . 1 1 9 9 ILE CA C 13 58.054 0.300 . 1 . . . . 9 ILE CA . 11137 1 45 . 1 1 9 9 ILE CB C 13 36.993 0.300 . 1 . . . . 9 ILE CB . 11137 1 46 . 1 1 9 9 ILE CD1 C 13 10.688 0.300 . 1 . . . . 9 ILE CD1 . 11137 1 47 . 1 1 9 9 ILE CG1 C 13 24.415 0.300 . 1 . . . . 9 ILE CG1 . 11137 1 48 . 1 1 9 9 ILE CG2 C 13 15.346 0.300 . 1 . . . . 9 ILE CG2 . 11137 1 49 . 1 1 9 9 ILE N N 15 121.542 0.300 . 1 . . . . 9 ILE N . 11137 1 50 . 1 1 10 10 VAL H H 1 8.121 0.030 . 1 . . . . 10 VAL H . 11137 1 51 . 1 1 10 10 VAL HA H 1 3.900 0.030 . 1 . . . . 10 VAL HA . 11137 1 52 . 1 1 10 10 VAL HB H 1 1.934 0.030 . 1 . . . . 10 VAL HB . 11137 1 53 . 1 1 10 10 VAL HG11 H 1 0.895 0.030 . 1 . . . . 10 VAL HG1 . 11137 1 54 . 1 1 10 10 VAL HG12 H 1 0.895 0.030 . 1 . . . . 10 VAL HG1 . 11137 1 55 . 1 1 10 10 VAL HG13 H 1 0.895 0.030 . 1 . . . . 10 VAL HG1 . 11137 1 56 . 1 1 10 10 VAL HG21 H 1 0.895 0.030 . 1 . . . . 10 VAL HG2 . 11137 1 57 . 1 1 10 10 VAL HG22 H 1 0.895 0.030 . 1 . . . . 10 VAL HG2 . 11137 1 58 . 1 1 10 10 VAL HG23 H 1 0.895 0.030 . 1 . . . . 10 VAL HG2 . 11137 1 59 . 1 1 10 10 VAL C C 13 174.270 0.300 . 1 . . . . 10 VAL C . 11137 1 60 . 1 1 10 10 VAL CA C 13 61.462 0.300 . 1 . . . . 10 VAL CA . 11137 1 61 . 1 1 10 10 VAL CB C 13 30.304 0.300 . 1 . . . . 10 VAL CB . 11137 1 62 . 1 1 10 10 VAL CG1 C 13 18.731 0.300 . 1 . . . . 10 VAL CG1 . 11137 1 63 . 1 1 10 10 VAL CG2 C 13 18.731 0.300 . 1 . . . . 10 VAL CG2 . 11137 1 64 . 1 1 10 10 VAL N N 15 122.865 0.300 . 1 . . . . 10 VAL N . 11137 1 65 . 1 1 11 11 GLY H H 1 8.076 0.030 . 1 . . . . 11 GLY H . 11137 1 66 . 1 1 11 11 GLY HA2 H 1 4.051 0.030 . 2 . . . . 11 GLY HA2 . 11137 1 67 . 1 1 11 11 GLY HA3 H 1 3.791 0.030 . 2 . . . . 11 GLY HA3 . 11137 1 68 . 1 1 11 11 GLY C C 13 171.385 0.300 . 1 . . . . 11 GLY C . 11137 1 69 . 1 1 11 11 GLY CA C 13 42.105 0.300 . 1 . . . . 11 GLY CA . 11137 1 70 . 1 1 11 11 GLY N N 15 108.572 0.300 . 1 . . . . 11 GLY N . 11137 1 71 . 1 1 12 12 GLU H H 1 8.054 0.030 . 1 . . . . 12 GLU H . 11137 1 72 . 1 1 12 12 GLU HA H 1 4.280 0.030 . 1 . . . . 12 GLU HA . 11137 1 73 . 1 1 12 12 GLU HB2 H 1 2.086 0.030 . 2 . . . . 12 GLU HB2 . 11137 1 74 . 1 1 12 12 GLU HB3 H 1 1.763 0.030 . 2 . . . . 12 GLU HB3 . 11137 1 75 . 1 1 12 12 GLU HG2 H 1 2.238 0.030 . 2 . . . . 12 GLU HG2 . 11137 1 76 . 1 1 12 12 GLU HG3 H 1 2.172 0.030 . 2 . . . . 12 GLU HG3 . 11137 1 77 . 1 1 12 12 GLU C C 13 175.144 0.300 . 1 . . . . 12 GLU C . 11137 1 78 . 1 1 12 12 GLU CA C 13 53.554 0.300 . 1 . . . . 12 GLU CA . 11137 1 79 . 1 1 12 12 GLU CB C 13 28.119 0.300 . 1 . . . . 12 GLU CB . 11137 1 80 . 1 1 12 12 GLU CG C 13 33.780 0.300 . 1 . . . . 12 GLU CG . 11137 1 81 . 1 1 12 12 GLU N N 15 118.513 0.300 . 1 . . . . 12 GLU N . 11137 1 82 . 1 1 13 13 LEU H H 1 8.401 0.030 . 1 . . . . 13 LEU H . 11137 1 83 . 1 1 13 13 LEU HA H 1 4.125 0.030 . 1 . . . . 13 LEU HA . 11137 1 84 . 1 1 13 13 LEU HB2 H 1 1.612 0.030 . 2 . . . . 13 LEU HB2 . 11137 1 85 . 1 1 13 13 LEU HB3 H 1 1.513 0.030 . 2 . . . . 13 LEU HB3 . 11137 1 86 . 1 1 13 13 LEU HD11 H 1 0.854 0.030 . 1 . . . . 13 LEU HD1 . 11137 1 87 . 1 1 13 13 LEU HD12 H 1 0.854 0.030 . 1 . . . . 13 LEU HD1 . 11137 1 88 . 1 1 13 13 LEU HD13 H 1 0.854 0.030 . 1 . . . . 13 LEU HD1 . 11137 1 89 . 1 1 13 13 LEU HD21 H 1 0.808 0.030 . 1 . . . . 13 LEU HD2 . 11137 1 90 . 1 1 13 13 LEU HD22 H 1 0.808 0.030 . 1 . . . . 13 LEU HD2 . 11137 1 91 . 1 1 13 13 LEU HD23 H 1 0.808 0.030 . 1 . . . . 13 LEU HD2 . 11137 1 92 . 1 1 13 13 LEU HG H 1 1.585 0.030 . 1 . . . . 13 LEU HG . 11137 1 93 . 1 1 13 13 LEU C C 13 176.553 0.300 . 1 . . . . 13 LEU C . 11137 1 94 . 1 1 13 13 LEU CA C 13 54.664 0.300 . 1 . . . . 13 LEU CA . 11137 1 95 . 1 1 13 13 LEU CB C 13 39.776 0.300 . 1 . . . . 13 LEU CB . 11137 1 96 . 1 1 13 13 LEU CD1 C 13 22.472 0.300 . 2 . . . . 13 LEU CD1 . 11137 1 97 . 1 1 13 13 LEU CD2 C 13 21.443 0.300 . 2 . . . . 13 LEU CD2 . 11137 1 98 . 1 1 13 13 LEU CG C 13 24.747 0.300 . 1 . . . . 13 LEU CG . 11137 1 99 . 1 1 13 13 LEU N N 15 122.423 0.300 . 1 . . . . 13 LEU N . 11137 1 100 . 1 1 14 14 GLU H H 1 8.646 0.030 . 1 . . . . 14 GLU H . 11137 1 101 . 1 1 14 14 GLU HA H 1 4.111 0.030 . 1 . . . . 14 GLU HA . 11137 1 102 . 1 1 14 14 GLU HB2 H 1 1.995 0.030 . 2 . . . . 14 GLU HB2 . 11137 1 103 . 1 1 14 14 GLU HB3 H 1 1.939 0.030 . 2 . . . . 14 GLU HB3 . 11137 1 104 . 1 1 14 14 GLU HG2 H 1 2.219 0.030 . 1 . . . . 14 GLU HG2 . 11137 1 105 . 1 1 14 14 GLU HG3 H 1 2.219 0.030 . 1 . . . . 14 GLU HG3 . 11137 1 106 . 1 1 14 14 GLU C C 13 174.189 0.300 . 1 . . . . 14 GLU C . 11137 1 107 . 1 1 14 14 GLU CA C 13 55.520 0.300 . 1 . . . . 14 GLU CA . 11137 1 108 . 1 1 14 14 GLU CB C 13 27.208 0.300 . 1 . . . . 14 GLU CB . 11137 1 109 . 1 1 14 14 GLU CG C 13 34.329 0.300 . 1 . . . . 14 GLU CG . 11137 1 110 . 1 1 14 14 GLU N N 15 118.001 0.300 . 1 . . . . 14 GLU N . 11137 1 111 . 1 1 15 15 GLN H H 1 7.903 0.030 . 1 . . . . 15 GLN H . 11137 1 112 . 1 1 15 15 GLN HA H 1 4.292 0.030 . 1 . . . . 15 GLN HA . 11137 1 113 . 1 1 15 15 GLN HB2 H 1 2.136 0.030 . 2 . . . . 15 GLN HB2 . 11137 1 114 . 1 1 15 15 GLN HB3 H 1 1.985 0.030 . 2 . . . . 15 GLN HB3 . 11137 1 115 . 1 1 15 15 GLN HE21 H 1 7.518 0.030 . 2 . . . . 15 GLN HE21 . 11137 1 116 . 1 1 15 15 GLN HE22 H 1 6.750 0.030 . 2 . . . . 15 GLN HE22 . 11137 1 117 . 1 1 15 15 GLN HG2 H 1 2.256 0.030 . 2 . . . . 15 GLN HG2 . 11137 1 118 . 1 1 15 15 GLN HG3 H 1 2.298 0.030 . 2 . . . . 15 GLN HG3 . 11137 1 119 . 1 1 15 15 GLN C C 13 173.356 0.300 . 1 . . . . 15 GLN C . 11137 1 120 . 1 1 15 15 GLN CA C 13 53.190 0.300 . 1 . . . . 15 GLN CA . 11137 1 121 . 1 1 15 15 GLN CB C 13 27.915 0.300 . 1 . . . . 15 GLN CB . 11137 1 122 . 1 1 15 15 GLN CG C 13 31.998 0.300 . 1 . . . . 15 GLN CG . 11137 1 123 . 1 1 15 15 GLN N N 15 117.869 0.300 . 1 . . . . 15 GLN N . 11137 1 124 . 1 1 15 15 GLN NE2 N 15 112.015 0.300 . 1 . . . . 15 GLN NE2 . 11137 1 125 . 1 1 16 16 MET H H 1 7.648 0.030 . 1 . . . . 16 MET H . 11137 1 126 . 1 1 16 16 MET HA H 1 4.255 0.030 . 1 . . . . 16 MET HA . 11137 1 127 . 1 1 16 16 MET HB2 H 1 1.971 0.030 . 2 . . . . 16 MET HB2 . 11137 1 128 . 1 1 16 16 MET HB3 H 1 1.598 0.030 . 2 . . . . 16 MET HB3 . 11137 1 129 . 1 1 16 16 MET HE1 H 1 1.934 0.030 . 1 . . . . 16 MET HE . 11137 1 130 . 1 1 16 16 MET HE2 H 1 1.934 0.030 . 1 . . . . 16 MET HE . 11137 1 131 . 1 1 16 16 MET HE3 H 1 1.934 0.030 . 1 . . . . 16 MET HE . 11137 1 132 . 1 1 16 16 MET HG2 H 1 2.211 0.030 . 2 . . . . 16 MET HG2 . 11137 1 133 . 1 1 16 16 MET HG3 H 1 2.763 0.030 . 2 . . . . 16 MET HG3 . 11137 1 134 . 1 1 16 16 MET C C 13 173.584 0.300 . 1 . . . . 16 MET C . 11137 1 135 . 1 1 16 16 MET CA C 13 54.075 0.300 . 1 . . . . 16 MET CA . 11137 1 136 . 1 1 16 16 MET CB C 13 31.808 0.300 . 1 . . . . 16 MET CB . 11137 1 137 . 1 1 16 16 MET CE C 13 15.859 0.300 . 1 . . . . 16 MET CE . 11137 1 138 . 1 1 16 16 MET CG C 13 30.927 0.300 . 1 . . . . 16 MET CG . 11137 1 139 . 1 1 16 16 MET N N 15 117.511 0.300 . 1 . . . . 16 MET N . 11137 1 140 . 1 1 17 17 VAL H H 1 8.880 0.030 . 1 . . . . 17 VAL H . 11137 1 141 . 1 1 17 17 VAL HA H 1 4.606 0.030 . 1 . . . . 17 VAL HA . 11137 1 142 . 1 1 17 17 VAL HB H 1 2.181 0.030 . 1 . . . . 17 VAL HB . 11137 1 143 . 1 1 17 17 VAL HG11 H 1 0.912 0.030 . 1 . . . . 17 VAL HG1 . 11137 1 144 . 1 1 17 17 VAL HG12 H 1 0.912 0.030 . 1 . . . . 17 VAL HG1 . 11137 1 145 . 1 1 17 17 VAL HG13 H 1 0.912 0.030 . 1 . . . . 17 VAL HG1 . 11137 1 146 . 1 1 17 17 VAL HG21 H 1 0.840 0.030 . 1 . . . . 17 VAL HG2 . 11137 1 147 . 1 1 17 17 VAL HG22 H 1 0.840 0.030 . 1 . . . . 17 VAL HG2 . 11137 1 148 . 1 1 17 17 VAL HG23 H 1 0.840 0.030 . 1 . . . . 17 VAL HG2 . 11137 1 149 . 1 1 17 17 VAL C C 13 171.643 0.300 . 1 . . . . 17 VAL C . 11137 1 150 . 1 1 17 17 VAL CA C 13 57.166 0.300 . 1 . . . . 17 VAL CA . 11137 1 151 . 1 1 17 17 VAL CB C 13 32.956 0.300 . 1 . . . . 17 VAL CB . 11137 1 152 . 1 1 17 17 VAL CG1 C 13 19.115 0.300 . 2 . . . . 17 VAL CG1 . 11137 1 153 . 1 1 17 17 VAL CG2 C 13 16.299 0.300 . 2 . . . . 17 VAL CG2 . 11137 1 154 . 1 1 17 17 VAL N N 15 115.939 0.300 . 1 . . . . 17 VAL N . 11137 1 155 . 1 1 18 18 SER H H 1 8.117 0.030 . 1 . . . . 18 SER H . 11137 1 156 . 1 1 18 18 SER HA H 1 5.445 0.030 . 1 . . . . 18 SER HA . 11137 1 157 . 1 1 18 18 SER HB2 H 1 3.460 0.030 . 2 . . . . 18 SER HB2 . 11137 1 158 . 1 1 18 18 SER HB3 H 1 3.373 0.030 . 2 . . . . 18 SER HB3 . 11137 1 159 . 1 1 18 18 SER C C 13 171.381 0.300 . 1 . . . . 18 SER C . 11137 1 160 . 1 1 18 18 SER CA C 13 54.706 0.300 . 1 . . . . 18 SER CA . 11137 1 161 . 1 1 18 18 SER CB C 13 63.239 0.300 . 1 . . . . 18 SER CB . 11137 1 162 . 1 1 18 18 SER N N 15 114.491 0.300 . 1 . . . . 18 SER N . 11137 1 163 . 1 1 19 19 GLU H H 1 8.957 0.030 . 1 . . . . 19 GLU H . 11137 1 164 . 1 1 19 19 GLU HA H 1 4.527 0.030 . 1 . . . . 19 GLU HA . 11137 1 165 . 1 1 19 19 GLU HB2 H 1 1.700 0.030 . 2 . . . . 19 GLU HB2 . 11137 1 166 . 1 1 19 19 GLU HB3 H 1 1.536 0.030 . 2 . . . . 19 GLU HB3 . 11137 1 167 . 1 1 19 19 GLU HG2 H 1 1.947 0.030 . 2 . . . . 19 GLU HG2 . 11137 1 168 . 1 1 19 19 GLU HG3 H 1 2.049 0.030 . 2 . . . . 19 GLU HG3 . 11137 1 169 . 1 1 19 19 GLU C C 13 171.960 0.300 . 1 . . . . 19 GLU C . 11137 1 170 . 1 1 19 19 GLU CA C 13 52.370 0.300 . 1 . . . . 19 GLU CA . 11137 1 171 . 1 1 19 19 GLU CB C 13 31.163 0.300 . 1 . . . . 19 GLU CB . 11137 1 172 . 1 1 19 19 GLU CG C 13 33.002 0.300 . 1 . . . . 19 GLU CG . 11137 1 173 . 1 1 19 19 GLU N N 15 125.202 0.300 . 1 . . . . 19 GLU N . 11137 1 174 . 1 1 20 20 ASP H H 1 8.459 0.030 . 1 . . . . 20 ASP H . 11137 1 175 . 1 1 20 20 ASP HA H 1 5.273 0.030 . 1 . . . . 20 ASP HA . 11137 1 176 . 1 1 20 20 ASP HB2 H 1 2.420 0.030 . 2 . . . . 20 ASP HB2 . 11137 1 177 . 1 1 20 20 ASP HB3 H 1 2.292 0.030 . 2 . . . . 20 ASP HB3 . 11137 1 178 . 1 1 20 20 ASP C C 13 173.827 0.300 . 1 . . . . 20 ASP C . 11137 1 179 . 1 1 20 20 ASP CA C 13 50.813 0.300 . 1 . . . . 20 ASP CA . 11137 1 180 . 1 1 20 20 ASP CB C 13 39.061 0.300 . 1 . . . . 20 ASP CB . 11137 1 181 . 1 1 20 20 ASP N N 15 124.736 0.300 . 1 . . . . 20 ASP N . 11137 1 182 . 1 1 21 21 VAL H H 1 9.261 0.030 . 1 . . . . 21 VAL H . 11137 1 183 . 1 1 21 21 VAL HA H 1 4.501 0.030 . 1 . . . . 21 VAL HA . 11137 1 184 . 1 1 21 21 VAL HB H 1 1.828 0.030 . 1 . . . . 21 VAL HB . 11137 1 185 . 1 1 21 21 VAL HG11 H 1 0.760 0.030 . 1 . . . . 21 VAL HG1 . 11137 1 186 . 1 1 21 21 VAL HG12 H 1 0.760 0.030 . 1 . . . . 21 VAL HG1 . 11137 1 187 . 1 1 21 21 VAL HG13 H 1 0.760 0.030 . 1 . . . . 21 VAL HG1 . 11137 1 188 . 1 1 21 21 VAL HG21 H 1 0.766 0.030 . 1 . . . . 21 VAL HG2 . 11137 1 189 . 1 1 21 21 VAL HG22 H 1 0.766 0.030 . 1 . . . . 21 VAL HG2 . 11137 1 190 . 1 1 21 21 VAL HG23 H 1 0.766 0.030 . 1 . . . . 21 VAL HG2 . 11137 1 191 . 1 1 21 21 VAL C C 13 170.481 0.300 . 1 . . . . 21 VAL C . 11137 1 192 . 1 1 21 21 VAL CA C 13 55.872 0.300 . 1 . . . . 21 VAL CA . 11137 1 193 . 1 1 21 21 VAL CB C 13 32.974 0.300 . 1 . . . . 21 VAL CB . 11137 1 194 . 1 1 21 21 VAL CG1 C 13 18.107 0.300 . 2 . . . . 21 VAL CG1 . 11137 1 195 . 1 1 21 21 VAL CG2 C 13 19.048 0.300 . 2 . . . . 21 VAL CG2 . 11137 1 196 . 1 1 21 21 VAL N N 15 124.830 0.300 . 1 . . . . 21 VAL N . 11137 1 197 . 1 1 22 22 PRO HA H 1 4.663 0.030 . 1 . . . . 22 PRO HA . 11137 1 198 . 1 1 22 22 PRO HB2 H 1 2.123 0.030 . 2 . . . . 22 PRO HB2 . 11137 1 199 . 1 1 22 22 PRO HB3 H 1 1.870 0.030 . 2 . . . . 22 PRO HB3 . 11137 1 200 . 1 1 22 22 PRO HD2 H 1 3.633 0.030 . 2 . . . . 22 PRO HD2 . 11137 1 201 . 1 1 22 22 PRO HD3 H 1 3.699 0.030 . 2 . . . . 22 PRO HD3 . 11137 1 202 . 1 1 22 22 PRO HG2 H 1 1.890 0.030 . 2 . . . . 22 PRO HG2 . 11137 1 203 . 1 1 22 22 PRO HG3 H 1 2.068 0.030 . 2 . . . . 22 PRO HG3 . 11137 1 204 . 1 1 22 22 PRO C C 13 173.612 0.300 . 1 . . . . 22 PRO C . 11137 1 205 . 1 1 22 22 PRO CA C 13 59.928 0.300 . 1 . . . . 22 PRO CA . 11137 1 206 . 1 1 22 22 PRO CB C 13 28.937 0.300 . 1 . . . . 22 PRO CB . 11137 1 207 . 1 1 22 22 PRO CD C 13 48.755 0.300 . 1 . . . . 22 PRO CD . 11137 1 208 . 1 1 22 22 PRO CG C 13 25.221 0.300 . 1 . . . . 22 PRO CG . 11137 1 209 . 1 1 23 23 LEU H H 1 7.960 0.030 . 1 . . . . 23 LEU H . 11137 1 210 . 1 1 23 23 LEU HA H 1 4.423 0.030 . 1 . . . . 23 LEU HA . 11137 1 211 . 1 1 23 23 LEU HB2 H 1 1.403 0.030 . 2 . . . . 23 LEU HB2 . 11137 1 212 . 1 1 23 23 LEU HB3 H 1 1.186 0.030 . 2 . . . . 23 LEU HB3 . 11137 1 213 . 1 1 23 23 LEU HD11 H 1 0.702 0.030 . 1 . . . . 23 LEU HD1 . 11137 1 214 . 1 1 23 23 LEU HD12 H 1 0.702 0.030 . 1 . . . . 23 LEU HD1 . 11137 1 215 . 1 1 23 23 LEU HD13 H 1 0.702 0.030 . 1 . . . . 23 LEU HD1 . 11137 1 216 . 1 1 23 23 LEU HD21 H 1 0.593 0.030 . 1 . . . . 23 LEU HD2 . 11137 1 217 . 1 1 23 23 LEU HD22 H 1 0.593 0.030 . 1 . . . . 23 LEU HD2 . 11137 1 218 . 1 1 23 23 LEU HD23 H 1 0.593 0.030 . 1 . . . . 23 LEU HD2 . 11137 1 219 . 1 1 23 23 LEU HG H 1 1.307 0.030 . 1 . . . . 23 LEU HG . 11137 1 220 . 1 1 23 23 LEU C C 13 173.613 0.300 . 1 . . . . 23 LEU C . 11137 1 221 . 1 1 23 23 LEU CA C 13 51.924 0.300 . 1 . . . . 23 LEU CA . 11137 1 222 . 1 1 23 23 LEU CB C 13 42.381 0.300 . 1 . . . . 23 LEU CB . 11137 1 223 . 1 1 23 23 LEU CD1 C 13 22.750 0.300 . 2 . . . . 23 LEU CD1 . 11137 1 224 . 1 1 23 23 LEU CD2 C 13 23.788 0.300 . 2 . . . . 23 LEU CD2 . 11137 1 225 . 1 1 23 23 LEU CG C 13 25.019 0.300 . 1 . . . . 23 LEU CG . 11137 1 226 . 1 1 23 23 LEU N N 15 124.317 0.300 . 1 . . . . 23 LEU N . 11137 1 227 . 1 1 24 24 ASP H H 1 9.560 0.030 . 1 . . . . 24 ASP H . 11137 1 228 . 1 1 24 24 ASP HA H 1 4.095 0.030 . 1 . . . . 24 ASP HA . 11137 1 229 . 1 1 24 24 ASP HB2 H 1 2.573 0.030 . 2 . . . . 24 ASP HB2 . 11137 1 230 . 1 1 24 24 ASP HB3 H 1 2.611 0.030 . 2 . . . . 24 ASP HB3 . 11137 1 231 . 1 1 24 24 ASP C C 13 175.665 0.300 . 1 . . . . 24 ASP C . 11137 1 232 . 1 1 24 24 ASP CA C 13 53.969 0.300 . 1 . . . . 24 ASP CA . 11137 1 233 . 1 1 24 24 ASP CB C 13 41.090 0.300 . 1 . . . . 24 ASP CB . 11137 1 234 . 1 1 24 24 ASP N N 15 131.018 0.300 . 1 . . . . 24 ASP N . 11137 1 235 . 1 1 25 25 HIS H H 1 9.076 0.030 . 1 . . . . 25 HIS H . 11137 1 236 . 1 1 25 25 HIS HA H 1 4.695 0.030 . 1 . . . . 25 HIS HA . 11137 1 237 . 1 1 25 25 HIS HB2 H 1 2.961 0.030 . 2 . . . . 25 HIS HB2 . 11137 1 238 . 1 1 25 25 HIS HB3 H 1 2.877 0.030 . 2 . . . . 25 HIS HB3 . 11137 1 239 . 1 1 25 25 HIS HD2 H 1 7.036 0.030 . 1 . . . . 25 HIS HD2 . 11137 1 240 . 1 1 25 25 HIS HE1 H 1 7.947 0.030 . 1 . . . . 25 HIS HE1 . 11137 1 241 . 1 1 25 25 HIS C C 13 174.519 0.300 . 1 . . . . 25 HIS C . 11137 1 242 . 1 1 25 25 HIS CA C 13 56.145 0.300 . 1 . . . . 25 HIS CA . 11137 1 243 . 1 1 25 25 HIS CB C 13 26.153 0.300 . 1 . . . . 25 HIS CB . 11137 1 244 . 1 1 25 25 HIS CD2 C 13 120.436 0.300 . 1 . . . . 25 HIS CD2 . 11137 1 245 . 1 1 25 25 HIS CE1 C 13 135.448 0.300 . 1 . . . . 25 HIS CE1 . 11137 1 246 . 1 1 25 25 HIS N N 15 124.910 0.300 . 1 . . . . 25 HIS N . 11137 1 247 . 1 1 26 26 ARG H H 1 8.929 0.030 . 1 . . . . 26 ARG H . 11137 1 248 . 1 1 26 26 ARG HA H 1 3.837 0.030 . 1 . . . . 26 ARG HA . 11137 1 249 . 1 1 26 26 ARG HB2 H 1 1.672 0.030 . 2 . . . . 26 ARG HB2 . 11137 1 250 . 1 1 26 26 ARG HB3 H 1 1.541 0.030 . 2 . . . . 26 ARG HB3 . 11137 1 251 . 1 1 26 26 ARG HD2 H 1 2.939 0.030 . 2 . . . . 26 ARG HD2 . 11137 1 252 . 1 1 26 26 ARG HD3 H 1 3.132 0.030 . 2 . . . . 26 ARG HD3 . 11137 1 253 . 1 1 26 26 ARG HG2 H 1 1.512 0.030 . 2 . . . . 26 ARG HG2 . 11137 1 254 . 1 1 26 26 ARG HG3 H 1 1.009 0.030 . 2 . . . . 26 ARG HG3 . 11137 1 255 . 1 1 26 26 ARG C C 13 176.430 0.300 . 1 . . . . 26 ARG C . 11137 1 256 . 1 1 26 26 ARG CA C 13 56.226 0.300 . 1 . . . . 26 ARG CA . 11137 1 257 . 1 1 26 26 ARG CB C 13 28.069 0.300 . 1 . . . . 26 ARG CB . 11137 1 258 . 1 1 26 26 ARG CD C 13 41.121 0.300 . 1 . . . . 26 ARG CD . 11137 1 259 . 1 1 26 26 ARG CG C 13 24.696 0.300 . 1 . . . . 26 ARG CG . 11137 1 260 . 1 1 26 26 ARG N N 15 119.719 0.300 . 1 . . . . 26 ARG N . 11137 1 261 . 1 1 27 27 VAL H H 1 7.940 0.030 . 1 . . . . 27 VAL H . 11137 1 262 . 1 1 27 27 VAL HA H 1 4.548 0.030 . 1 . . . . 27 VAL HA . 11137 1 263 . 1 1 27 27 VAL HB H 1 2.579 0.030 . 1 . . . . 27 VAL HB . 11137 1 264 . 1 1 27 27 VAL HG11 H 1 0.897 0.030 . 1 . . . . 27 VAL HG1 . 11137 1 265 . 1 1 27 27 VAL HG12 H 1 0.897 0.030 . 1 . . . . 27 VAL HG1 . 11137 1 266 . 1 1 27 27 VAL HG13 H 1 0.897 0.030 . 1 . . . . 27 VAL HG1 . 11137 1 267 . 1 1 27 27 VAL HG21 H 1 1.145 0.030 . 1 . . . . 27 VAL HG2 . 11137 1 268 . 1 1 27 27 VAL HG22 H 1 1.145 0.030 . 1 . . . . 27 VAL HG2 . 11137 1 269 . 1 1 27 27 VAL HG23 H 1 1.145 0.030 . 1 . . . . 27 VAL HG2 . 11137 1 270 . 1 1 27 27 VAL C C 13 174.088 0.300 . 1 . . . . 27 VAL C . 11137 1 271 . 1 1 27 27 VAL CA C 13 58.338 0.300 . 1 . . . . 27 VAL CA . 11137 1 272 . 1 1 27 27 VAL CB C 13 30.137 0.300 . 1 . . . . 27 VAL CB . 11137 1 273 . 1 1 27 27 VAL CG1 C 13 19.587 0.300 . 2 . . . . 27 VAL CG1 . 11137 1 274 . 1 1 27 27 VAL CG2 C 13 17.751 0.300 . 2 . . . . 27 VAL CG2 . 11137 1 275 . 1 1 27 27 VAL N N 15 108.478 0.300 . 1 . . . . 27 VAL N . 11137 1 276 . 1 1 28 28 HIS H H 1 7.520 0.030 . 1 . . . . 28 HIS H . 11137 1 277 . 1 1 28 28 HIS HA H 1 4.062 0.030 . 1 . . . . 28 HIS HA . 11137 1 278 . 1 1 28 28 HIS HB2 H 1 3.087 0.030 . 2 . . . . 28 HIS HB2 . 11137 1 279 . 1 1 28 28 HIS HB3 H 1 2.887 0.030 . 2 . . . . 28 HIS HB3 . 11137 1 280 . 1 1 28 28 HIS HD2 H 1 6.544 0.030 . 1 . . . . 28 HIS HD2 . 11137 1 281 . 1 1 28 28 HIS HE1 H 1 8.080 0.030 . 1 . . . . 28 HIS HE1 . 11137 1 282 . 1 1 28 28 HIS C C 13 174.260 0.300 . 1 . . . . 28 HIS C . 11137 1 283 . 1 1 28 28 HIS CA C 13 57.455 0.300 . 1 . . . . 28 HIS CA . 11137 1 284 . 1 1 28 28 HIS CB C 13 29.064 0.300 . 1 . . . . 28 HIS CB . 11137 1 285 . 1 1 28 28 HIS CD2 C 13 113.654 0.300 . 1 . . . . 28 HIS CD2 . 11137 1 286 . 1 1 28 28 HIS CE1 C 13 137.035 0.300 . 1 . . . . 28 HIS CE1 . 11137 1 287 . 1 1 28 28 HIS N N 15 121.183 0.300 . 1 . . . . 28 HIS N . 11137 1 288 . 1 1 29 29 ALA H H 1 8.688 0.030 . 1 . . . . 29 ALA H . 11137 1 289 . 1 1 29 29 ALA HA H 1 3.886 0.030 . 1 . . . . 29 ALA HA . 11137 1 290 . 1 1 29 29 ALA HB1 H 1 1.291 0.030 . 1 . . . . 29 ALA HB . 11137 1 291 . 1 1 29 29 ALA HB2 H 1 1.291 0.030 . 1 . . . . 29 ALA HB . 11137 1 292 . 1 1 29 29 ALA HB3 H 1 1.291 0.030 . 1 . . . . 29 ALA HB . 11137 1 293 . 1 1 29 29 ALA C C 13 178.548 0.300 . 1 . . . . 29 ALA C . 11137 1 294 . 1 1 29 29 ALA CA C 13 53.209 0.300 . 1 . . . . 29 ALA CA . 11137 1 295 . 1 1 29 29 ALA CB C 13 15.074 0.300 . 1 . . . . 29 ALA CB . 11137 1 296 . 1 1 29 29 ALA N N 15 118.215 0.300 . 1 . . . . 29 ALA N . 11137 1 297 . 1 1 30 30 ARG H H 1 7.610 0.030 . 1 . . . . 30 ARG H . 11137 1 298 . 1 1 30 30 ARG HA H 1 3.846 0.030 . 1 . . . . 30 ARG HA . 11137 1 299 . 1 1 30 30 ARG HB2 H 1 1.347 0.030 . 2 . . . . 30 ARG HB2 . 11137 1 300 . 1 1 30 30 ARG HB3 H 1 1.150 0.030 . 2 . . . . 30 ARG HB3 . 11137 1 301 . 1 1 30 30 ARG HD2 H 1 2.689 0.030 . 2 . . . . 30 ARG HD2 . 11137 1 302 . 1 1 30 30 ARG HD3 H 1 2.467 0.030 . 2 . . . . 30 ARG HD3 . 11137 1 303 . 1 1 30 30 ARG HG2 H 1 1.418 0.030 . 2 . . . . 30 ARG HG2 . 11137 1 304 . 1 1 30 30 ARG HG3 H 1 1.194 0.030 . 2 . . . . 30 ARG HG3 . 11137 1 305 . 1 1 30 30 ARG C C 13 175.883 0.300 . 1 . . . . 30 ARG C . 11137 1 306 . 1 1 30 30 ARG CA C 13 56.014 0.300 . 1 . . . . 30 ARG CA . 11137 1 307 . 1 1 30 30 ARG CB C 13 28.085 0.300 . 1 . . . . 30 ARG CB . 11137 1 308 . 1 1 30 30 ARG CD C 13 41.099 0.300 . 1 . . . . 30 ARG CD . 11137 1 309 . 1 1 30 30 ARG CG C 13 24.871 0.300 . 1 . . . . 30 ARG CG . 11137 1 310 . 1 1 30 30 ARG N N 15 118.093 0.300 . 1 . . . . 30 ARG N . 11137 1 311 . 1 1 31 31 ILE H H 1 7.692 0.030 . 1 . . . . 31 ILE H . 11137 1 312 . 1 1 31 31 ILE HA H 1 3.849 0.030 . 1 . . . . 31 ILE HA . 11137 1 313 . 1 1 31 31 ILE HB H 1 1.991 0.030 . 1 . . . . 31 ILE HB . 11137 1 314 . 1 1 31 31 ILE HD11 H 1 0.819 0.030 . 1 . . . . 31 ILE HD1 . 11137 1 315 . 1 1 31 31 ILE HD12 H 1 0.819 0.030 . 1 . . . . 31 ILE HD1 . 11137 1 316 . 1 1 31 31 ILE HD13 H 1 0.819 0.030 . 1 . . . . 31 ILE HD1 . 11137 1 317 . 1 1 31 31 ILE HG12 H 1 1.237 0.030 . 2 . . . . 31 ILE HG12 . 11137 1 318 . 1 1 31 31 ILE HG13 H 1 1.895 0.030 . 2 . . . . 31 ILE HG13 . 11137 1 319 . 1 1 31 31 ILE HG21 H 1 0.875 0.030 . 1 . . . . 31 ILE HG2 . 11137 1 320 . 1 1 31 31 ILE HG22 H 1 0.875 0.030 . 1 . . . . 31 ILE HG2 . 11137 1 321 . 1 1 31 31 ILE HG23 H 1 0.875 0.030 . 1 . . . . 31 ILE HG2 . 11137 1 322 . 1 1 31 31 ILE C C 13 173.581 0.300 . 1 . . . . 31 ILE C . 11137 1 323 . 1 1 31 31 ILE CA C 13 61.925 0.300 . 1 . . . . 31 ILE CA . 11137 1 324 . 1 1 31 31 ILE CB C 13 35.237 0.300 . 1 . . . . 31 ILE CB . 11137 1 325 . 1 1 31 31 ILE CD1 C 13 12.011 0.300 . 1 . . . . 31 ILE CD1 . 11137 1 326 . 1 1 31 31 ILE CG1 C 13 27.384 0.300 . 1 . . . . 31 ILE CG1 . 11137 1 327 . 1 1 31 31 ILE CG2 C 13 14.700 0.300 . 1 . . . . 31 ILE CG2 . 11137 1 328 . 1 1 31 31 ILE N N 15 119.585 0.300 . 1 . . . . 31 ILE N . 11137 1 329 . 1 1 32 32 ILE H H 1 7.938 0.030 . 1 . . . . 32 ILE H . 11137 1 330 . 1 1 32 32 ILE HA H 1 3.505 0.030 . 1 . . . . 32 ILE HA . 11137 1 331 . 1 1 32 32 ILE HB H 1 1.498 0.030 . 1 . . . . 32 ILE HB . 11137 1 332 . 1 1 32 32 ILE HD11 H 1 0.039 0.030 . 1 . . . . 32 ILE HD1 . 11137 1 333 . 1 1 32 32 ILE HD12 H 1 0.039 0.030 . 1 . . . . 32 ILE HD1 . 11137 1 334 . 1 1 32 32 ILE HD13 H 1 0.039 0.030 . 1 . . . . 32 ILE HD1 . 11137 1 335 . 1 1 32 32 ILE HG12 H 1 0.298 0.030 . 2 . . . . 32 ILE HG12 . 11137 1 336 . 1 1 32 32 ILE HG13 H 1 1.099 0.030 . 2 . . . . 32 ILE HG13 . 11137 1 337 . 1 1 32 32 ILE HG21 H 1 0.883 0.030 . 1 . . . . 32 ILE HG2 . 11137 1 338 . 1 1 32 32 ILE HG22 H 1 0.883 0.030 . 1 . . . . 32 ILE HG2 . 11137 1 339 . 1 1 32 32 ILE HG23 H 1 0.883 0.030 . 1 . . . . 32 ILE HG2 . 11137 1 340 . 1 1 32 32 ILE C C 13 176.390 0.300 . 1 . . . . 32 ILE C . 11137 1 341 . 1 1 32 32 ILE CA C 13 62.890 0.300 . 1 . . . . 32 ILE CA . 11137 1 342 . 1 1 32 32 ILE CB C 13 36.953 0.300 . 1 . . . . 32 ILE CB . 11137 1 343 . 1 1 32 32 ILE CD1 C 13 10.667 0.300 . 1 . . . . 32 ILE CD1 . 11137 1 344 . 1 1 32 32 ILE CG1 C 13 27.884 0.300 . 1 . . . . 32 ILE CG1 . 11137 1 345 . 1 1 32 32 ILE CG2 C 13 15.293 0.300 . 1 . . . . 32 ILE CG2 . 11137 1 346 . 1 1 32 32 ILE N N 15 117.734 0.300 . 1 . . . . 32 ILE N . 11137 1 347 . 1 1 33 33 GLY H H 1 7.603 0.030 . 1 . . . . 33 GLY H . 11137 1 348 . 1 1 33 33 GLY HA2 H 1 4.121 0.030 . 2 . . . . 33 GLY HA2 . 11137 1 349 . 1 1 33 33 GLY HA3 H 1 3.743 0.030 . 2 . . . . 33 GLY HA3 . 11137 1 350 . 1 1 33 33 GLY C C 13 172.180 0.300 . 1 . . . . 33 GLY C . 11137 1 351 . 1 1 33 33 GLY CA C 13 41.677 0.300 . 1 . . . . 33 GLY CA . 11137 1 352 . 1 1 33 33 GLY N N 15 103.916 0.300 . 1 . . . . 33 GLY N . 11137 1 353 . 1 1 34 34 ALA H H 1 8.482 0.030 . 1 . . . . 34 ALA H . 11137 1 354 . 1 1 34 34 ALA HA H 1 4.156 0.030 . 1 . . . . 34 ALA HA . 11137 1 355 . 1 1 34 34 ALA HB1 H 1 1.340 0.030 . 1 . . . . 34 ALA HB . 11137 1 356 . 1 1 34 34 ALA HB2 H 1 1.340 0.030 . 1 . . . . 34 ALA HB . 11137 1 357 . 1 1 34 34 ALA HB3 H 1 1.340 0.030 . 1 . . . . 34 ALA HB . 11137 1 358 . 1 1 34 34 ALA CA C 13 51.537 0.300 . 1 . . . . 34 ALA CA . 11137 1 359 . 1 1 34 34 ALA CB C 13 15.802 0.300 . 1 . . . . 34 ALA CB . 11137 1 360 . 1 1 34 34 ALA N N 15 124.270 0.300 . 1 . . . . 34 ALA N . 11137 1 361 . 1 1 35 35 ARG HA H 1 4.004 0.030 . 1 . . . . 35 ARG HA . 11137 1 362 . 1 1 35 35 ARG HB2 H 1 2.041 0.030 . 2 . . . . 35 ARG HB2 . 11137 1 363 . 1 1 35 35 ARG HB3 H 1 1.849 0.030 . 2 . . . . 35 ARG HB3 . 11137 1 364 . 1 1 35 35 ARG HD2 H 1 3.137 0.030 . 1 . . . . 35 ARG HD2 . 11137 1 365 . 1 1 35 35 ARG HD3 H 1 3.137 0.030 . 1 . . . . 35 ARG HD3 . 11137 1 366 . 1 1 35 35 ARG HG2 H 1 1.569 0.030 . 1 . . . . 35 ARG HG2 . 11137 1 367 . 1 1 35 35 ARG HG3 H 1 1.569 0.030 . 1 . . . . 35 ARG HG3 . 11137 1 368 . 1 1 35 35 ARG C C 13 174.118 0.300 . 1 . . . . 35 ARG C . 11137 1 369 . 1 1 35 35 ARG CA C 13 54.309 0.300 . 1 . . . . 35 ARG CA . 11137 1 370 . 1 1 35 35 ARG CB C 13 26.160 0.300 . 1 . . . . 35 ARG CB . 11137 1 371 . 1 1 35 35 ARG CD C 13 40.999 0.300 . 1 . . . . 35 ARG CD . 11137 1 372 . 1 1 35 35 ARG CG C 13 25.430 0.300 . 1 . . . . 35 ARG CG . 11137 1 373 . 1 1 36 36 GLY H H 1 7.887 0.030 . 1 . . . . 36 GLY H . 11137 1 374 . 1 1 36 36 GLY HA2 H 1 3.928 0.030 . 2 . . . . 36 GLY HA2 . 11137 1 375 . 1 1 36 36 GLY HA3 H 1 3.806 0.030 . 2 . . . . 36 GLY HA3 . 11137 1 376 . 1 1 36 36 GLY C C 13 173.807 0.300 . 1 . . . . 36 GLY C . 11137 1 377 . 1 1 36 36 GLY CA C 13 43.887 0.300 . 1 . . . . 36 GLY CA . 11137 1 378 . 1 1 36 36 GLY N N 15 105.812 0.300 . 1 . . . . 36 GLY N . 11137 1 379 . 1 1 37 37 LYS H H 1 7.866 0.030 . 1 . . . . 37 LYS H . 11137 1 380 . 1 1 37 37 LYS HA H 1 3.921 0.030 . 1 . . . . 37 LYS HA . 11137 1 381 . 1 1 37 37 LYS HB2 H 1 1.809 0.030 . 2 . . . . 37 LYS HB2 . 11137 1 382 . 1 1 37 37 LYS HB3 H 1 1.930 0.030 . 2 . . . . 37 LYS HB3 . 11137 1 383 . 1 1 37 37 LYS HD2 H 1 1.649 0.030 . 1 . . . . 37 LYS HD2 . 11137 1 384 . 1 1 37 37 LYS HD3 H 1 1.649 0.030 . 1 . . . . 37 LYS HD3 . 11137 1 385 . 1 1 37 37 LYS HE2 H 1 2.927 0.030 . 1 . . . . 37 LYS HE2 . 11137 1 386 . 1 1 37 37 LYS HE3 H 1 2.927 0.030 . 1 . . . . 37 LYS HE3 . 11137 1 387 . 1 1 37 37 LYS HG2 H 1 1.431 0.030 . 2 . . . . 37 LYS HG2 . 11137 1 388 . 1 1 37 37 LYS HG3 H 1 1.468 0.030 . 2 . . . . 37 LYS HG3 . 11137 1 389 . 1 1 37 37 LYS C C 13 176.319 0.300 . 1 . . . . 37 LYS C . 11137 1 390 . 1 1 37 37 LYS CA C 13 56.928 0.300 . 1 . . . . 37 LYS CA . 11137 1 391 . 1 1 37 37 LYS CB C 13 30.167 0.300 . 1 . . . . 37 LYS CB . 11137 1 392 . 1 1 37 37 LYS CD C 13 26.889 0.300 . 1 . . . . 37 LYS CD . 11137 1 393 . 1 1 37 37 LYS CE C 13 39.752 0.300 . 1 . . . . 37 LYS CE . 11137 1 394 . 1 1 37 37 LYS CG C 13 22.818 0.300 . 1 . . . . 37 LYS CG . 11137 1 395 . 1 1 37 37 LYS N N 15 118.433 0.300 . 1 . . . . 37 LYS N . 11137 1 396 . 1 1 38 38 ALA H H 1 7.779 0.030 . 1 . . . . 38 ALA H . 11137 1 397 . 1 1 38 38 ALA HA H 1 4.280 0.030 . 1 . . . . 38 ALA HA . 11137 1 398 . 1 1 38 38 ALA HB1 H 1 1.410 0.030 . 1 . . . . 38 ALA HB . 11137 1 399 . 1 1 38 38 ALA HB2 H 1 1.410 0.030 . 1 . . . . 38 ALA HB . 11137 1 400 . 1 1 38 38 ALA HB3 H 1 1.410 0.030 . 1 . . . . 38 ALA HB . 11137 1 401 . 1 1 38 38 ALA C C 13 178.879 0.300 . 1 . . . . 38 ALA C . 11137 1 402 . 1 1 38 38 ALA CA C 13 52.928 0.300 . 1 . . . . 38 ALA CA . 11137 1 403 . 1 1 38 38 ALA CB C 13 15.533 0.300 . 1 . . . . 38 ALA CB . 11137 1 404 . 1 1 38 38 ALA N N 15 122.195 0.300 . 1 . . . . 38 ALA N . 11137 1 405 . 1 1 39 39 ILE H H 1 8.072 0.030 . 1 . . . . 39 ILE H . 11137 1 406 . 1 1 39 39 ILE HA H 1 4.302 0.030 . 1 . . . . 39 ILE HA . 11137 1 407 . 1 1 39 39 ILE HB H 1 2.143 0.030 . 1 . . . . 39 ILE HB . 11137 1 408 . 1 1 39 39 ILE HD11 H 1 0.983 0.030 . 1 . . . . 39 ILE HD1 . 11137 1 409 . 1 1 39 39 ILE HD12 H 1 0.983 0.030 . 1 . . . . 39 ILE HD1 . 11137 1 410 . 1 1 39 39 ILE HD13 H 1 0.983 0.030 . 1 . . . . 39 ILE HD1 . 11137 1 411 . 1 1 39 39 ILE HG12 H 1 1.540 0.030 . 1 . . . . 39 ILE HG12 . 11137 1 412 . 1 1 39 39 ILE HG13 H 1 1.540 0.030 . 1 . . . . 39 ILE HG13 . 11137 1 413 . 1 1 39 39 ILE HG21 H 1 1.113 0.030 . 1 . . . . 39 ILE HG2 . 11137 1 414 . 1 1 39 39 ILE HG22 H 1 1.113 0.030 . 1 . . . . 39 ILE HG2 . 11137 1 415 . 1 1 39 39 ILE HG23 H 1 1.113 0.030 . 1 . . . . 39 ILE HG2 . 11137 1 416 . 1 1 39 39 ILE C C 13 174.959 0.300 . 1 . . . . 39 ILE C . 11137 1 417 . 1 1 39 39 ILE CA C 13 58.449 0.300 . 1 . . . . 39 ILE CA . 11137 1 418 . 1 1 39 39 ILE CB C 13 35.975 0.300 . 1 . . . . 39 ILE CB . 11137 1 419 . 1 1 39 39 ILE CD1 C 13 12.578 0.300 . 1 . . . . 39 ILE CD1 . 11137 1 420 . 1 1 39 39 ILE CG1 C 13 26.677 0.300 . 1 . . . . 39 ILE CG1 . 11137 1 421 . 1 1 39 39 ILE CG2 C 13 16.801 0.300 . 1 . . . . 39 ILE CG2 . 11137 1 422 . 1 1 39 39 ILE N N 15 118.922 0.300 . 1 . . . . 39 ILE N . 11137 1 423 . 1 1 40 40 ARG H H 1 7.655 0.030 . 1 . . . . 40 ARG H . 11137 1 424 . 1 1 40 40 ARG HA H 1 4.090 0.030 . 1 . . . . 40 ARG HA . 11137 1 425 . 1 1 40 40 ARG HB2 H 1 1.950 0.030 . 1 . . . . 40 ARG HB2 . 11137 1 426 . 1 1 40 40 ARG HB3 H 1 1.950 0.030 . 1 . . . . 40 ARG HB3 . 11137 1 427 . 1 1 40 40 ARG HD2 H 1 3.197 0.030 . 2 . . . . 40 ARG HD2 . 11137 1 428 . 1 1 40 40 ARG HD3 H 1 3.299 0.030 . 2 . . . . 40 ARG HD3 . 11137 1 429 . 1 1 40 40 ARG HG2 H 1 1.737 0.030 . 1 . . . . 40 ARG HG2 . 11137 1 430 . 1 1 40 40 ARG HG3 H 1 1.737 0.030 . 1 . . . . 40 ARG HG3 . 11137 1 431 . 1 1 40 40 ARG C C 13 175.399 0.300 . 1 . . . . 40 ARG C . 11137 1 432 . 1 1 40 40 ARG CA C 13 56.860 0.300 . 1 . . . . 40 ARG CA . 11137 1 433 . 1 1 40 40 ARG CB C 13 27.728 0.300 . 1 . . . . 40 ARG CB . 11137 1 434 . 1 1 40 40 ARG CD C 13 40.974 0.300 . 1 . . . . 40 ARG CD . 11137 1 435 . 1 1 40 40 ARG CG C 13 24.500 0.300 . 1 . . . . 40 ARG CG . 11137 1 436 . 1 1 40 40 ARG N N 15 123.786 0.300 . 1 . . . . 40 ARG N . 11137 1 437 . 1 1 41 41 LYS H H 1 7.397 0.030 . 1 . . . . 41 LYS H . 11137 1 438 . 1 1 41 41 LYS HA H 1 4.152 0.030 . 1 . . . . 41 LYS HA . 11137 1 439 . 1 1 41 41 LYS HB2 H 1 1.950 0.030 . 2 . . . . 41 LYS HB2 . 11137 1 440 . 1 1 41 41 LYS HB3 H 1 2.027 0.030 . 2 . . . . 41 LYS HB3 . 11137 1 441 . 1 1 41 41 LYS HD2 H 1 1.686 0.030 . 1 . . . . 41 LYS HD2 . 11137 1 442 . 1 1 41 41 LYS HD3 H 1 1.686 0.030 . 1 . . . . 41 LYS HD3 . 11137 1 443 . 1 1 41 41 LYS HE2 H 1 2.945 0.030 . 1 . . . . 41 LYS HE2 . 11137 1 444 . 1 1 41 41 LYS HE3 H 1 2.945 0.030 . 1 . . . . 41 LYS HE3 . 11137 1 445 . 1 1 41 41 LYS HG2 H 1 1.421 0.030 . 2 . . . . 41 LYS HG2 . 11137 1 446 . 1 1 41 41 LYS HG3 H 1 1.555 0.030 . 2 . . . . 41 LYS HG3 . 11137 1 447 . 1 1 41 41 LYS C C 13 176.880 0.300 . 1 . . . . 41 LYS C . 11137 1 448 . 1 1 41 41 LYS CA C 13 57.317 0.300 . 1 . . . . 41 LYS CA . 11137 1 449 . 1 1 41 41 LYS CB C 13 30.072 0.300 . 1 . . . . 41 LYS CB . 11137 1 450 . 1 1 41 41 LYS CD C 13 27.137 0.300 . 1 . . . . 41 LYS CD . 11137 1 451 . 1 1 41 41 LYS CE C 13 39.827 0.300 . 1 . . . . 41 LYS CE . 11137 1 452 . 1 1 41 41 LYS CG C 13 22.604 0.300 . 1 . . . . 41 LYS CG . 11137 1 453 . 1 1 41 41 LYS N N 15 118.417 0.300 . 1 . . . . 41 LYS N . 11137 1 454 . 1 1 42 42 ILE H H 1 7.390 0.030 . 1 . . . . 42 ILE H . 11137 1 455 . 1 1 42 42 ILE HA H 1 3.784 0.030 . 1 . . . . 42 ILE HA . 11137 1 456 . 1 1 42 42 ILE HB H 1 1.969 0.030 . 1 . . . . 42 ILE HB . 11137 1 457 . 1 1 42 42 ILE HD11 H 1 0.924 0.030 . 1 . . . . 42 ILE HD1 . 11137 1 458 . 1 1 42 42 ILE HD12 H 1 0.924 0.030 . 1 . . . . 42 ILE HD1 . 11137 1 459 . 1 1 42 42 ILE HD13 H 1 0.924 0.030 . 1 . . . . 42 ILE HD1 . 11137 1 460 . 1 1 42 42 ILE HG12 H 1 1.116 0.030 . 2 . . . . 42 ILE HG12 . 11137 1 461 . 1 1 42 42 ILE HG13 H 1 2.005 0.030 . 2 . . . . 42 ILE HG13 . 11137 1 462 . 1 1 42 42 ILE HG21 H 1 0.833 0.030 . 1 . . . . 42 ILE HG2 . 11137 1 463 . 1 1 42 42 ILE HG22 H 1 0.833 0.030 . 1 . . . . 42 ILE HG2 . 11137 1 464 . 1 1 42 42 ILE HG23 H 1 0.833 0.030 . 1 . . . . 42 ILE HG2 . 11137 1 465 . 1 1 42 42 ILE C C 13 175.586 0.300 . 1 . . . . 42 ILE C . 11137 1 466 . 1 1 42 42 ILE CA C 13 63.271 0.300 . 1 . . . . 42 ILE CA . 11137 1 467 . 1 1 42 42 ILE CB C 13 36.336 0.300 . 1 . . . . 42 ILE CB . 11137 1 468 . 1 1 42 42 ILE CD1 C 13 11.627 0.300 . 1 . . . . 42 ILE CD1 . 11137 1 469 . 1 1 42 42 ILE CG1 C 13 27.316 0.300 . 1 . . . . 42 ILE CG1 . 11137 1 470 . 1 1 42 42 ILE CG2 C 13 14.897 0.300 . 1 . . . . 42 ILE CG2 . 11137 1 471 . 1 1 42 42 ILE N N 15 119.488 0.300 . 1 . . . . 42 ILE N . 11137 1 472 . 1 1 43 43 MET H H 1 8.416 0.030 . 1 . . . . 43 MET H . 11137 1 473 . 1 1 43 43 MET HA H 1 3.922 0.030 . 1 . . . . 43 MET HA . 11137 1 474 . 1 1 43 43 MET HB2 H 1 2.291 0.030 . 2 . . . . 43 MET HB2 . 11137 1 475 . 1 1 43 43 MET HB3 H 1 2.389 0.030 . 2 . . . . 43 MET HB3 . 11137 1 476 . 1 1 43 43 MET HE1 H 1 2.235 0.030 . 1 . . . . 43 MET HE . 11137 1 477 . 1 1 43 43 MET HE2 H 1 2.235 0.030 . 1 . . . . 43 MET HE . 11137 1 478 . 1 1 43 43 MET HE3 H 1 2.235 0.030 . 1 . . . . 43 MET HE . 11137 1 479 . 1 1 43 43 MET HG2 H 1 2.708 0.030 . 2 . . . . 43 MET HG2 . 11137 1 480 . 1 1 43 43 MET HG3 H 1 2.499 0.030 . 2 . . . . 43 MET HG3 . 11137 1 481 . 1 1 43 43 MET C C 13 176.841 0.300 . 1 . . . . 43 MET C . 11137 1 482 . 1 1 43 43 MET CA C 13 58.716 0.300 . 1 . . . . 43 MET CA . 11137 1 483 . 1 1 43 43 MET CB C 13 32.038 0.300 . 1 . . . . 43 MET CB . 11137 1 484 . 1 1 43 43 MET CE C 13 14.993 0.300 . 1 . . . . 43 MET CE . 11137 1 485 . 1 1 43 43 MET CG C 13 30.602 0.300 . 1 . . . . 43 MET CG . 11137 1 486 . 1 1 43 43 MET N N 15 118.092 0.300 . 1 . . . . 43 MET N . 11137 1 487 . 1 1 44 44 ASP H H 1 8.316 0.030 . 1 . . . . 44 ASP H . 11137 1 488 . 1 1 44 44 ASP HA H 1 4.406 0.030 . 1 . . . . 44 ASP HA . 11137 1 489 . 1 1 44 44 ASP HB2 H 1 2.733 0.030 . 2 . . . . 44 ASP HB2 . 11137 1 490 . 1 1 44 44 ASP HB3 H 1 2.604 0.030 . 2 . . . . 44 ASP HB3 . 11137 1 491 . 1 1 44 44 ASP C C 13 175.745 0.300 . 1 . . . . 44 ASP C . 11137 1 492 . 1 1 44 44 ASP CA C 13 54.552 0.300 . 1 . . . . 44 ASP CA . 11137 1 493 . 1 1 44 44 ASP CB C 13 38.550 0.300 . 1 . . . . 44 ASP CB . 11137 1 494 . 1 1 44 44 ASP N N 15 117.315 0.300 . 1 . . . . 44 ASP N . 11137 1 495 . 1 1 45 45 GLU H H 1 8.083 0.030 . 1 . . . . 45 GLU H . 11137 1 496 . 1 1 45 45 GLU HA H 1 3.756 0.030 . 1 . . . . 45 GLU HA . 11137 1 497 . 1 1 45 45 GLU HB2 H 1 1.794 0.030 . 2 . . . . 45 GLU HB2 . 11137 1 498 . 1 1 45 45 GLU HB3 H 1 1.380 0.030 . 2 . . . . 45 GLU HB3 . 11137 1 499 . 1 1 45 45 GLU HG2 H 1 1.577 0.030 . 2 . . . . 45 GLU HG2 . 11137 1 500 . 1 1 45 45 GLU HG3 H 1 1.258 0.030 . 2 . . . . 45 GLU HG3 . 11137 1 501 . 1 1 45 45 GLU C C 13 175.988 0.300 . 1 . . . . 45 GLU C . 11137 1 502 . 1 1 45 45 GLU CA C 13 56.701 0.300 . 1 . . . . 45 GLU CA . 11137 1 503 . 1 1 45 45 GLU CB C 13 27.116 0.300 . 1 . . . . 45 GLU CB . 11137 1 504 . 1 1 45 45 GLU CG C 13 32.901 0.300 . 1 . . . . 45 GLU CG . 11137 1 505 . 1 1 45 45 GLU N N 15 119.478 0.300 . 1 . . . . 45 GLU N . 11137 1 506 . 1 1 46 46 PHE H H 1 7.853 0.030 . 1 . . . . 46 PHE H . 11137 1 507 . 1 1 46 46 PHE HA H 1 4.283 0.030 . 1 . . . . 46 PHE HA . 11137 1 508 . 1 1 46 46 PHE HB2 H 1 3.255 0.030 . 2 . . . . 46 PHE HB2 . 11137 1 509 . 1 1 46 46 PHE HB3 H 1 2.545 0.030 . 2 . . . . 46 PHE HB3 . 11137 1 510 . 1 1 46 46 PHE HD1 H 1 7.275 0.030 . 1 . . . . 46 PHE HD1 . 11137 1 511 . 1 1 46 46 PHE HD2 H 1 7.275 0.030 . 1 . . . . 46 PHE HD2 . 11137 1 512 . 1 1 46 46 PHE HE1 H 1 6.813 0.030 . 1 . . . . 46 PHE HE1 . 11137 1 513 . 1 1 46 46 PHE HE2 H 1 6.813 0.030 . 1 . . . . 46 PHE HE2 . 11137 1 514 . 1 1 46 46 PHE HZ H 1 6.784 0.030 . 1 . . . . 46 PHE HZ . 11137 1 515 . 1 1 46 46 PHE C C 13 170.628 0.300 . 1 . . . . 46 PHE C . 11137 1 516 . 1 1 46 46 PHE CA C 13 56.613 0.300 . 1 . . . . 46 PHE CA . 11137 1 517 . 1 1 46 46 PHE CB C 13 37.933 0.300 . 1 . . . . 46 PHE CB . 11137 1 518 . 1 1 46 46 PHE CD1 C 13 129.014 0.300 . 1 . . . . 46 PHE CD1 . 11137 1 519 . 1 1 46 46 PHE CD2 C 13 129.014 0.300 . 1 . . . . 46 PHE CD2 . 11137 1 520 . 1 1 46 46 PHE CE1 C 13 127.444 0.300 . 1 . . . . 46 PHE CE1 . 11137 1 521 . 1 1 46 46 PHE CE2 C 13 127.444 0.300 . 1 . . . . 46 PHE CE2 . 11137 1 522 . 1 1 46 46 PHE CZ C 13 128.363 0.300 . 1 . . . . 46 PHE CZ . 11137 1 523 . 1 1 46 46 PHE N N 15 112.703 0.300 . 1 . . . . 46 PHE N . 11137 1 524 . 1 1 47 47 LYS H H 1 7.599 0.030 . 1 . . . . 47 LYS H . 11137 1 525 . 1 1 47 47 LYS HA H 1 3.980 0.030 . 1 . . . . 47 LYS HA . 11137 1 526 . 1 1 47 47 LYS HB2 H 1 2.169 0.030 . 2 . . . . 47 LYS HB2 . 11137 1 527 . 1 1 47 47 LYS HB3 H 1 1.667 0.030 . 2 . . . . 47 LYS HB3 . 11137 1 528 . 1 1 47 47 LYS HD2 H 1 1.426 0.030 . 2 . . . . 47 LYS HD2 . 11137 1 529 . 1 1 47 47 LYS HD3 H 1 1.606 0.030 . 2 . . . . 47 LYS HD3 . 11137 1 530 . 1 1 47 47 LYS HE2 H 1 2.854 0.030 . 2 . . . . 47 LYS HE2 . 11137 1 531 . 1 1 47 47 LYS HE3 H 1 2.907 0.030 . 2 . . . . 47 LYS HE3 . 11137 1 532 . 1 1 47 47 LYS HG2 H 1 1.124 0.030 . 1 . . . . 47 LYS HG2 . 11137 1 533 . 1 1 47 47 LYS HG3 H 1 1.124 0.030 . 1 . . . . 47 LYS HG3 . 11137 1 534 . 1 1 47 47 LYS C C 13 174.059 0.300 . 1 . . . . 47 LYS C . 11137 1 535 . 1 1 47 47 LYS CA C 13 53.680 0.300 . 1 . . . . 47 LYS CA . 11137 1 536 . 1 1 47 47 LYS CB C 13 25.663 0.300 . 1 . . . . 47 LYS CB . 11137 1 537 . 1 1 47 47 LYS CD C 13 26.384 0.300 . 1 . . . . 47 LYS CD . 11137 1 538 . 1 1 47 47 LYS CE C 13 40.348 0.300 . 1 . . . . 47 LYS CE . 11137 1 539 . 1 1 47 47 LYS CG C 13 22.390 0.300 . 1 . . . . 47 LYS CG . 11137 1 540 . 1 1 47 47 LYS N N 15 113.925 0.300 . 1 . . . . 47 LYS N . 11137 1 541 . 1 1 48 48 VAL H H 1 7.533 0.030 . 1 . . . . 48 VAL H . 11137 1 542 . 1 1 48 48 VAL HA H 1 5.080 0.030 . 1 . . . . 48 VAL HA . 11137 1 543 . 1 1 48 48 VAL HB H 1 1.938 0.030 . 1 . . . . 48 VAL HB . 11137 1 544 . 1 1 48 48 VAL HG11 H 1 0.597 0.030 . 1 . . . . 48 VAL HG1 . 11137 1 545 . 1 1 48 48 VAL HG12 H 1 0.597 0.030 . 1 . . . . 48 VAL HG1 . 11137 1 546 . 1 1 48 48 VAL HG13 H 1 0.597 0.030 . 1 . . . . 48 VAL HG1 . 11137 1 547 . 1 1 48 48 VAL HG21 H 1 0.498 0.030 . 1 . . . . 48 VAL HG2 . 11137 1 548 . 1 1 48 48 VAL HG22 H 1 0.498 0.030 . 1 . . . . 48 VAL HG2 . 11137 1 549 . 1 1 48 48 VAL HG23 H 1 0.498 0.030 . 1 . . . . 48 VAL HG2 . 11137 1 550 . 1 1 48 48 VAL C C 13 172.381 0.300 . 1 . . . . 48 VAL C . 11137 1 551 . 1 1 48 48 VAL CA C 13 55.509 0.300 . 1 . . . . 48 VAL CA . 11137 1 552 . 1 1 48 48 VAL CB C 13 33.041 0.300 . 1 . . . . 48 VAL CB . 11137 1 553 . 1 1 48 48 VAL CG1 C 13 19.409 0.300 . 2 . . . . 48 VAL CG1 . 11137 1 554 . 1 1 48 48 VAL CG2 C 13 16.012 0.300 . 2 . . . . 48 VAL CG2 . 11137 1 555 . 1 1 48 48 VAL N N 15 106.953 0.300 . 1 . . . . 48 VAL N . 11137 1 556 . 1 1 49 49 ASP H H 1 8.772 0.030 . 1 . . . . 49 ASP H . 11137 1 557 . 1 1 49 49 ASP HA H 1 4.983 0.030 . 1 . . . . 49 ASP HA . 11137 1 558 . 1 1 49 49 ASP HB2 H 1 2.468 0.030 . 1 . . . . 49 ASP HB2 . 11137 1 559 . 1 1 49 49 ASP HB3 H 1 2.468 0.030 . 1 . . . . 49 ASP HB3 . 11137 1 560 . 1 1 49 49 ASP C C 13 173.433 0.300 . 1 . . . . 49 ASP C . 11137 1 561 . 1 1 49 49 ASP CA C 13 50.814 0.300 . 1 . . . . 49 ASP CA . 11137 1 562 . 1 1 49 49 ASP CB C 13 41.938 0.300 . 1 . . . . 49 ASP CB . 11137 1 563 . 1 1 49 49 ASP N N 15 119.721 0.300 . 1 . . . . 49 ASP N . 11137 1 564 . 1 1 50 50 ILE H H 1 7.548 0.030 . 1 . . . . 50 ILE H . 11137 1 565 . 1 1 50 50 ILE HA H 1 4.785 0.030 . 1 . . . . 50 ILE HA . 11137 1 566 . 1 1 50 50 ILE HB H 1 1.478 0.030 . 1 . . . . 50 ILE HB . 11137 1 567 . 1 1 50 50 ILE HD11 H 1 0.635 0.030 . 1 . . . . 50 ILE HD1 . 11137 1 568 . 1 1 50 50 ILE HD12 H 1 0.635 0.030 . 1 . . . . 50 ILE HD1 . 11137 1 569 . 1 1 50 50 ILE HD13 H 1 0.635 0.030 . 1 . . . . 50 ILE HD1 . 11137 1 570 . 1 1 50 50 ILE HG12 H 1 1.387 0.030 . 2 . . . . 50 ILE HG12 . 11137 1 571 . 1 1 50 50 ILE HG13 H 1 0.773 0.030 . 2 . . . . 50 ILE HG13 . 11137 1 572 . 1 1 50 50 ILE HG21 H 1 0.306 0.030 . 1 . . . . 50 ILE HG2 . 11137 1 573 . 1 1 50 50 ILE HG22 H 1 0.306 0.030 . 1 . . . . 50 ILE HG2 . 11137 1 574 . 1 1 50 50 ILE HG23 H 1 0.306 0.030 . 1 . . . . 50 ILE HG2 . 11137 1 575 . 1 1 50 50 ILE C C 13 171.337 0.300 . 1 . . . . 50 ILE C . 11137 1 576 . 1 1 50 50 ILE CA C 13 58.226 0.300 . 1 . . . . 50 ILE CA . 11137 1 577 . 1 1 50 50 ILE CB C 13 37.974 0.300 . 1 . . . . 50 ILE CB . 11137 1 578 . 1 1 50 50 ILE CD1 C 13 11.644 0.300 . 1 . . . . 50 ILE CD1 . 11137 1 579 . 1 1 50 50 ILE CG1 C 13 26.093 0.300 . 1 . . . . 50 ILE CG1 . 11137 1 580 . 1 1 50 50 ILE CG2 C 13 15.186 0.300 . 1 . . . . 50 ILE CG2 . 11137 1 581 . 1 1 50 50 ILE N N 15 123.678 0.300 . 1 . . . . 50 ILE N . 11137 1 582 . 1 1 51 51 ARG H H 1 8.750 0.030 . 1 . . . . 51 ARG H . 11137 1 583 . 1 1 51 51 ARG HA H 1 4.686 0.030 . 1 . . . . 51 ARG HA . 11137 1 584 . 1 1 51 51 ARG HB2 H 1 1.678 0.030 . 2 . . . . 51 ARG HB2 . 11137 1 585 . 1 1 51 51 ARG HB3 H 1 1.550 0.030 . 2 . . . . 51 ARG HB3 . 11137 1 586 . 1 1 51 51 ARG HD2 H 1 3.121 0.030 . 1 . . . . 51 ARG HD2 . 11137 1 587 . 1 1 51 51 ARG HD3 H 1 3.121 0.030 . 1 . . . . 51 ARG HD3 . 11137 1 588 . 1 1 51 51 ARG HG2 H 1 1.450 0.030 . 2 . . . . 51 ARG HG2 . 11137 1 589 . 1 1 51 51 ARG HG3 H 1 1.537 0.030 . 2 . . . . 51 ARG HG3 . 11137 1 590 . 1 1 51 51 ARG C C 13 172.625 0.300 . 1 . . . . 51 ARG C . 11137 1 591 . 1 1 51 51 ARG CA C 13 51.995 0.300 . 1 . . . . 51 ARG CA . 11137 1 592 . 1 1 51 51 ARG CB C 13 30.730 0.300 . 1 . . . . 51 ARG CB . 11137 1 593 . 1 1 51 51 ARG CD C 13 41.063 0.300 . 1 . . . . 51 ARG CD . 11137 1 594 . 1 1 51 51 ARG CG C 13 24.721 0.300 . 1 . . . . 51 ARG CG . 11137 1 595 . 1 1 51 51 ARG N N 15 126.992 0.300 . 1 . . . . 51 ARG N . 11137 1 596 . 1 1 52 52 PHE H H 1 8.871 0.030 . 1 . . . . 52 PHE H . 11137 1 597 . 1 1 52 52 PHE HA H 1 4.568 0.030 . 1 . . . . 52 PHE HA . 11137 1 598 . 1 1 52 52 PHE HB2 H 1 2.763 0.030 . 2 . . . . 52 PHE HB2 . 11137 1 599 . 1 1 52 52 PHE HB3 H 1 3.109 0.030 . 2 . . . . 52 PHE HB3 . 11137 1 600 . 1 1 52 52 PHE HD1 H 1 6.971 0.030 . 1 . . . . 52 PHE HD1 . 11137 1 601 . 1 1 52 52 PHE HD2 H 1 6.971 0.030 . 1 . . . . 52 PHE HD2 . 11137 1 602 . 1 1 52 52 PHE HE1 H 1 6.672 0.030 . 1 . . . . 52 PHE HE1 . 11137 1 603 . 1 1 52 52 PHE HE2 H 1 6.672 0.030 . 1 . . . . 52 PHE HE2 . 11137 1 604 . 1 1 52 52 PHE HZ H 1 6.668 0.030 . 1 . . . . 52 PHE HZ . 11137 1 605 . 1 1 52 52 PHE C C 13 171.452 0.300 . 1 . . . . 52 PHE C . 11137 1 606 . 1 1 52 52 PHE CA C 13 53.861 0.300 . 1 . . . . 52 PHE CA . 11137 1 607 . 1 1 52 52 PHE CB C 13 36.602 0.300 . 1 . . . . 52 PHE CB . 11137 1 608 . 1 1 52 52 PHE CD1 C 13 129.696 0.300 . 1 . . . . 52 PHE CD1 . 11137 1 609 . 1 1 52 52 PHE CD2 C 13 129.696 0.300 . 1 . . . . 52 PHE CD2 . 11137 1 610 . 1 1 52 52 PHE CE1 C 13 128.314 0.300 . 1 . . . . 52 PHE CE1 . 11137 1 611 . 1 1 52 52 PHE CE2 C 13 128.314 0.300 . 1 . . . . 52 PHE CE2 . 11137 1 612 . 1 1 52 52 PHE CZ C 13 125.689 0.300 . 1 . . . . 52 PHE CZ . 11137 1 613 . 1 1 52 52 PHE N N 15 124.671 0.300 . 1 . . . . 52 PHE N . 11137 1 614 . 1 1 53 53 PRO HA H 1 4.425 0.030 . 1 . . . . 53 PRO HA . 11137 1 615 . 1 1 53 53 PRO HB2 H 1 2.231 0.030 . 2 . . . . 53 PRO HB2 . 11137 1 616 . 1 1 53 53 PRO HB3 H 1 1.934 0.030 . 2 . . . . 53 PRO HB3 . 11137 1 617 . 1 1 53 53 PRO HD2 H 1 4.098 0.030 . 2 . . . . 53 PRO HD2 . 11137 1 618 . 1 1 53 53 PRO HD3 H 1 3.845 0.030 . 2 . . . . 53 PRO HD3 . 11137 1 619 . 1 1 53 53 PRO HG2 H 1 2.287 0.030 . 2 . . . . 53 PRO HG2 . 11137 1 620 . 1 1 53 53 PRO HG3 H 1 2.228 0.030 . 2 . . . . 53 PRO HG3 . 11137 1 621 . 1 1 53 53 PRO C C 13 174.754 0.300 . 1 . . . . 53 PRO C . 11137 1 622 . 1 1 53 53 PRO CA C 13 60.809 0.300 . 1 . . . . 53 PRO CA . 11137 1 623 . 1 1 53 53 PRO CB C 13 30.021 0.300 . 1 . . . . 53 PRO CB . 11137 1 624 . 1 1 53 53 PRO CD C 13 48.881 0.300 . 1 . . . . 53 PRO CD . 11137 1 625 . 1 1 53 53 PRO CG C 13 25.977 0.300 . 1 . . . . 53 PRO CG . 11137 1 626 . 1 1 54 54 GLN H H 1 8.539 0.030 . 1 . . . . 54 GLN H . 11137 1 627 . 1 1 54 54 GLN HA H 1 4.372 0.030 . 1 . . . . 54 GLN HA . 11137 1 628 . 1 1 54 54 GLN HB2 H 1 2.199 0.030 . 2 . . . . 54 GLN HB2 . 11137 1 629 . 1 1 54 54 GLN HB3 H 1 1.893 0.030 . 2 . . . . 54 GLN HB3 . 11137 1 630 . 1 1 54 54 GLN HE21 H 1 6.859 0.030 . 2 . . . . 54 GLN HE21 . 11137 1 631 . 1 1 54 54 GLN HE22 H 1 7.515 0.030 . 2 . . . . 54 GLN HE22 . 11137 1 632 . 1 1 54 54 GLN HG2 H 1 2.409 0.030 . 1 . . . . 54 GLN HG2 . 11137 1 633 . 1 1 54 54 GLN HG3 H 1 2.409 0.030 . 1 . . . . 54 GLN HG3 . 11137 1 634 . 1 1 54 54 GLN C C 13 174.226 0.300 . 1 . . . . 54 GLN C . 11137 1 635 . 1 1 54 54 GLN CA C 13 52.326 0.300 . 1 . . . . 54 GLN CA . 11137 1 636 . 1 1 54 54 GLN CB C 13 27.721 0.300 . 1 . . . . 54 GLN CB . 11137 1 637 . 1 1 54 54 GLN CG C 13 31.640 0.300 . 1 . . . . 54 GLN CG . 11137 1 638 . 1 1 54 54 GLN N N 15 120.862 0.300 . 1 . . . . 54 GLN N . 11137 1 639 . 1 1 54 54 GLN NE2 N 15 112.916 0.300 . 1 . . . . 54 GLN NE2 . 11137 1 640 . 1 1 55 55 SER H H 1 8.554 0.030 . 1 . . . . 55 SER H . 11137 1 641 . 1 1 55 55 SER HA H 1 4.154 0.030 . 1 . . . . 55 SER HA . 11137 1 642 . 1 1 55 55 SER HB2 H 1 3.806 0.030 . 1 . . . . 55 SER HB2 . 11137 1 643 . 1 1 55 55 SER HB3 H 1 3.806 0.030 . 1 . . . . 55 SER HB3 . 11137 1 644 . 1 1 55 55 SER C C 13 174.244 0.300 . 1 . . . . 55 SER C . 11137 1 645 . 1 1 55 55 SER CA C 13 58.059 0.300 . 1 . . . . 55 SER CA . 11137 1 646 . 1 1 55 55 SER CB C 13 60.495 0.300 . 1 . . . . 55 SER CB . 11137 1 647 . 1 1 55 55 SER N N 15 116.378 0.300 . 1 . . . . 55 SER N . 11137 1 648 . 1 1 56 56 GLY H H 1 8.784 0.030 . 1 . . . . 56 GLY H . 11137 1 649 . 1 1 56 56 GLY HA2 H 1 3.671 0.030 . 2 . . . . 56 GLY HA2 . 11137 1 650 . 1 1 56 56 GLY HA3 H 1 4.012 0.030 . 2 . . . . 56 GLY HA3 . 11137 1 651 . 1 1 56 56 GLY C C 13 171.903 0.300 . 1 . . . . 56 GLY C . 11137 1 652 . 1 1 56 56 GLY CA C 13 42.757 0.300 . 1 . . . . 56 GLY CA . 11137 1 653 . 1 1 56 56 GLY N N 15 113.686 0.300 . 1 . . . . 56 GLY N . 11137 1 654 . 1 1 57 57 ALA H H 1 7.490 0.030 . 1 . . . . 57 ALA H . 11137 1 655 . 1 1 57 57 ALA HA H 1 4.323 0.030 . 1 . . . . 57 ALA HA . 11137 1 656 . 1 1 57 57 ALA HB1 H 1 1.391 0.030 . 1 . . . . 57 ALA HB . 11137 1 657 . 1 1 57 57 ALA HB2 H 1 1.391 0.030 . 1 . . . . 57 ALA HB . 11137 1 658 . 1 1 57 57 ALA HB3 H 1 1.391 0.030 . 1 . . . . 57 ALA HB . 11137 1 659 . 1 1 57 57 ALA C C 13 174.099 0.300 . 1 . . . . 57 ALA C . 11137 1 660 . 1 1 57 57 ALA CA C 13 48.645 0.300 . 1 . . . . 57 ALA CA . 11137 1 661 . 1 1 57 57 ALA CB C 13 16.343 0.300 . 1 . . . . 57 ALA CB . 11137 1 662 . 1 1 57 57 ALA N N 15 123.435 0.300 . 1 . . . . 57 ALA N . 11137 1 663 . 1 1 58 58 PRO HA H 1 4.209 0.030 . 1 . . . . 58 PRO HA . 11137 1 664 . 1 1 58 58 PRO HB2 H 1 2.246 0.030 . 2 . . . . 58 PRO HB2 . 11137 1 665 . 1 1 58 58 PRO HB3 H 1 1.837 0.030 . 2 . . . . 58 PRO HB3 . 11137 1 666 . 1 1 58 58 PRO HD2 H 1 3.725 0.030 . 2 . . . . 58 PRO HD2 . 11137 1 667 . 1 1 58 58 PRO HD3 H 1 3.661 0.030 . 2 . . . . 58 PRO HD3 . 11137 1 668 . 1 1 58 58 PRO HG2 H 1 1.979 0.030 . 1 . . . . 58 PRO HG2 . 11137 1 669 . 1 1 58 58 PRO HG3 H 1 1.979 0.030 . 1 . . . . 58 PRO HG3 . 11137 1 670 . 1 1 58 58 PRO C C 13 174.339 0.300 . 1 . . . . 58 PRO C . 11137 1 671 . 1 1 58 58 PRO CA C 13 62.264 0.300 . 1 . . . . 58 PRO CA . 11137 1 672 . 1 1 58 58 PRO CB C 13 29.514 0.300 . 1 . . . . 58 PRO CB . 11137 1 673 . 1 1 58 58 PRO CD C 13 48.067 0.300 . 1 . . . . 58 PRO CD . 11137 1 674 . 1 1 58 58 PRO CG C 13 25.107 0.300 . 1 . . . . 58 PRO CG . 11137 1 675 . 1 1 59 59 ASP H H 1 7.340 0.030 . 1 . . . . 59 ASP H . 11137 1 676 . 1 1 59 59 ASP HA H 1 5.055 0.030 . 1 . . . . 59 ASP HA . 11137 1 677 . 1 1 59 59 ASP HB2 H 1 2.730 0.030 . 2 . . . . 59 ASP HB2 . 11137 1 678 . 1 1 59 59 ASP HB3 H 1 2.363 0.030 . 2 . . . . 59 ASP HB3 . 11137 1 679 . 1 1 59 59 ASP C C 13 172.132 0.300 . 1 . . . . 59 ASP C . 11137 1 680 . 1 1 59 59 ASP CA C 13 47.721 0.300 . 1 . . . . 59 ASP CA . 11137 1 681 . 1 1 59 59 ASP CB C 13 39.457 0.300 . 1 . . . . 59 ASP CB . 11137 1 682 . 1 1 59 59 ASP N N 15 113.158 0.300 . 1 . . . . 59 ASP N . 11137 1 683 . 1 1 60 60 PRO HA H 1 4.368 0.030 . 1 . . . . 60 PRO HA . 11137 1 684 . 1 1 60 60 PRO HB2 H 1 2.138 0.030 . 2 . . . . 60 PRO HB2 . 11137 1 685 . 1 1 60 60 PRO HB3 H 1 1.694 0.030 . 2 . . . . 60 PRO HB3 . 11137 1 686 . 1 1 60 60 PRO HD2 H 1 3.535 0.030 . 2 . . . . 60 PRO HD2 . 11137 1 687 . 1 1 60 60 PRO HD3 H 1 3.793 0.030 . 2 . . . . 60 PRO HD3 . 11137 1 688 . 1 1 60 60 PRO HG2 H 1 1.843 0.030 . 2 . . . . 60 PRO HG2 . 11137 1 689 . 1 1 60 60 PRO HG3 H 1 1.702 0.030 . 2 . . . . 60 PRO HG3 . 11137 1 690 . 1 1 60 60 PRO C C 13 174.344 0.300 . 1 . . . . 60 PRO C . 11137 1 691 . 1 1 60 60 PRO CA C 13 60.986 0.300 . 1 . . . . 60 PRO CA . 11137 1 692 . 1 1 60 60 PRO CB C 13 30.146 0.300 . 1 . . . . 60 PRO CB . 11137 1 693 . 1 1 60 60 PRO CD C 13 48.331 0.300 . 1 . . . . 60 PRO CD . 11137 1 694 . 1 1 60 60 PRO CG C 13 23.788 0.300 . 1 . . . . 60 PRO CG . 11137 1 695 . 1 1 61 61 ASN H H 1 8.253 0.030 . 1 . . . . 61 ASN H . 11137 1 696 . 1 1 61 61 ASN HA H 1 5.262 0.030 . 1 . . . . 61 ASN HA . 11137 1 697 . 1 1 61 61 ASN HB2 H 1 2.950 0.030 . 2 . . . . 61 ASN HB2 . 11137 1 698 . 1 1 61 61 ASN HB3 H 1 2.788 0.030 . 2 . . . . 61 ASN HB3 . 11137 1 699 . 1 1 61 61 ASN HD21 H 1 7.294 0.030 . 2 . . . . 61 ASN HD21 . 11137 1 700 . 1 1 61 61 ASN HD22 H 1 7.882 0.030 . 2 . . . . 61 ASN HD22 . 11137 1 701 . 1 1 61 61 ASN C C 13 173.056 0.300 . 1 . . . . 61 ASN C . 11137 1 702 . 1 1 61 61 ASN CA C 13 50.170 0.300 . 1 . . . . 61 ASN CA . 11137 1 703 . 1 1 61 61 ASN CB C 13 36.662 0.300 . 1 . . . . 61 ASN CB . 11137 1 704 . 1 1 61 61 ASN N N 15 117.546 0.300 . 1 . . . . 61 ASN N . 11137 1 705 . 1 1 61 61 ASN ND2 N 15 116.566 0.300 . 1 . . . . 61 ASN ND2 . 11137 1 706 . 1 1 62 62 CYS H H 1 7.148 0.030 . 1 . . . . 62 CYS H . 11137 1 707 . 1 1 62 62 CYS HA H 1 4.981 0.030 . 1 . . . . 62 CYS HA . 11137 1 708 . 1 1 62 62 CYS HB2 H 1 2.694 0.030 . 2 . . . . 62 CYS HB2 . 11137 1 709 . 1 1 62 62 CYS HB3 H 1 2.480 0.030 . 2 . . . . 62 CYS HB3 . 11137 1 710 . 1 1 62 62 CYS C C 13 169.982 0.300 . 1 . . . . 62 CYS C . 11137 1 711 . 1 1 62 62 CYS CA C 13 55.482 0.300 . 1 . . . . 62 CYS CA . 11137 1 712 . 1 1 62 62 CYS CB C 13 27.146 0.300 . 1 . . . . 62 CYS CB . 11137 1 713 . 1 1 62 62 CYS N N 15 117.804 0.300 . 1 . . . . 62 CYS N . 11137 1 714 . 1 1 63 63 VAL H H 1 8.323 0.030 . 1 . . . . 63 VAL H . 11137 1 715 . 1 1 63 63 VAL HA H 1 4.380 0.030 . 1 . . . . 63 VAL HA . 11137 1 716 . 1 1 63 63 VAL HB H 1 1.473 0.030 . 1 . . . . 63 VAL HB . 11137 1 717 . 1 1 63 63 VAL HG11 H 1 0.039 0.030 . 1 . . . . 63 VAL HG1 . 11137 1 718 . 1 1 63 63 VAL HG12 H 1 0.039 0.030 . 1 . . . . 63 VAL HG1 . 11137 1 719 . 1 1 63 63 VAL HG13 H 1 0.039 0.030 . 1 . . . . 63 VAL HG1 . 11137 1 720 . 1 1 63 63 VAL HG21 H 1 0.211 0.030 . 1 . . . . 63 VAL HG2 . 11137 1 721 . 1 1 63 63 VAL HG22 H 1 0.211 0.030 . 1 . . . . 63 VAL HG2 . 11137 1 722 . 1 1 63 63 VAL HG23 H 1 0.211 0.030 . 1 . . . . 63 VAL HG2 . 11137 1 723 . 1 1 63 63 VAL C C 13 171.577 0.300 . 1 . . . . 63 VAL C . 11137 1 724 . 1 1 63 63 VAL CA C 13 57.449 0.300 . 1 . . . . 63 VAL CA . 11137 1 725 . 1 1 63 63 VAL CB C 13 32.119 0.300 . 1 . . . . 63 VAL CB . 11137 1 726 . 1 1 63 63 VAL CG1 C 13 19.689 0.300 . 2 . . . . 63 VAL CG1 . 11137 1 727 . 1 1 63 63 VAL CG2 C 13 18.095 0.300 . 2 . . . . 63 VAL CG2 . 11137 1 728 . 1 1 63 63 VAL N N 15 118.672 0.300 . 1 . . . . 63 VAL N . 11137 1 729 . 1 1 64 64 THR H H 1 8.122 0.030 . 1 . . . . 64 THR H . 11137 1 730 . 1 1 64 64 THR HA H 1 5.151 0.030 . 1 . . . . 64 THR HA . 11137 1 731 . 1 1 64 64 THR HB H 1 3.473 0.030 . 1 . . . . 64 THR HB . 11137 1 732 . 1 1 64 64 THR HG21 H 1 0.970 0.030 . 1 . . . . 64 THR HG2 . 11137 1 733 . 1 1 64 64 THR HG22 H 1 0.970 0.030 . 1 . . . . 64 THR HG2 . 11137 1 734 . 1 1 64 64 THR HG23 H 1 0.970 0.030 . 1 . . . . 64 THR HG2 . 11137 1 735 . 1 1 64 64 THR C C 13 171.667 0.300 . 1 . . . . 64 THR C . 11137 1 736 . 1 1 64 64 THR CA C 13 59.650 0.300 . 1 . . . . 64 THR CA . 11137 1 737 . 1 1 64 64 THR CB C 13 68.716 0.300 . 1 . . . . 64 THR CB . 11137 1 738 . 1 1 64 64 THR CG2 C 13 19.526 0.300 . 1 . . . . 64 THR CG2 . 11137 1 739 . 1 1 64 64 THR N N 15 118.831 0.300 . 1 . . . . 64 THR N . 11137 1 740 . 1 1 65 65 VAL H H 1 9.192 0.030 . 1 . . . . 65 VAL H . 11137 1 741 . 1 1 65 65 VAL HA H 1 4.697 0.030 . 1 . . . . 65 VAL HA . 11137 1 742 . 1 1 65 65 VAL HB H 1 1.864 0.030 . 1 . . . . 65 VAL HB . 11137 1 743 . 1 1 65 65 VAL HG11 H 1 0.764 0.030 . 1 . . . . 65 VAL HG1 . 11137 1 744 . 1 1 65 65 VAL HG12 H 1 0.764 0.030 . 1 . . . . 65 VAL HG1 . 11137 1 745 . 1 1 65 65 VAL HG13 H 1 0.764 0.030 . 1 . . . . 65 VAL HG1 . 11137 1 746 . 1 1 65 65 VAL HG21 H 1 0.619 0.030 . 1 . . . . 65 VAL HG2 . 11137 1 747 . 1 1 65 65 VAL HG22 H 1 0.619 0.030 . 1 . . . . 65 VAL HG2 . 11137 1 748 . 1 1 65 65 VAL HG23 H 1 0.619 0.030 . 1 . . . . 65 VAL HG2 . 11137 1 749 . 1 1 65 65 VAL C C 13 172.058 0.300 . 1 . . . . 65 VAL C . 11137 1 750 . 1 1 65 65 VAL CA C 13 58.941 0.300 . 1 . . . . 65 VAL CA . 11137 1 751 . 1 1 65 65 VAL CB C 13 30.936 0.300 . 1 . . . . 65 VAL CB . 11137 1 752 . 1 1 65 65 VAL CG1 C 13 19.868 0.300 . 2 . . . . 65 VAL CG1 . 11137 1 753 . 1 1 65 65 VAL CG2 C 13 18.661 0.300 . 2 . . . . 65 VAL CG2 . 11137 1 754 . 1 1 65 65 VAL N N 15 129.709 0.300 . 1 . . . . 65 VAL N . 11137 1 755 . 1 1 66 66 THR H H 1 8.861 0.030 . 1 . . . . 66 THR H . 11137 1 756 . 1 1 66 66 THR HA H 1 5.755 0.030 . 1 . . . . 66 THR HA . 11137 1 757 . 1 1 66 66 THR HB H 1 3.771 0.030 . 1 . . . . 66 THR HB . 11137 1 758 . 1 1 66 66 THR HG21 H 1 1.081 0.030 . 1 . . . . 66 THR HG2 . 11137 1 759 . 1 1 66 66 THR HG22 H 1 1.081 0.030 . 1 . . . . 66 THR HG2 . 11137 1 760 . 1 1 66 66 THR HG23 H 1 1.081 0.030 . 1 . . . . 66 THR HG2 . 11137 1 761 . 1 1 66 66 THR C C 13 172.044 0.300 . 1 . . . . 66 THR C . 11137 1 762 . 1 1 66 66 THR CA C 13 58.440 0.300 . 1 . . . . 66 THR CA . 11137 1 763 . 1 1 66 66 THR CB C 13 69.452 0.300 . 1 . . . . 66 THR CB . 11137 1 764 . 1 1 66 66 THR CG2 C 13 18.855 0.300 . 1 . . . . 66 THR CG2 . 11137 1 765 . 1 1 66 66 THR N N 15 121.836 0.300 . 1 . . . . 66 THR N . 11137 1 766 . 1 1 67 67 GLY H H 1 8.755 0.030 . 1 . . . . 67 GLY H . 11137 1 767 . 1 1 67 67 GLY HA2 H 1 4.331 0.030 . 2 . . . . 67 GLY HA2 . 11137 1 768 . 1 1 67 67 GLY HA3 H 1 4.200 0.030 . 2 . . . . 67 GLY HA3 . 11137 1 769 . 1 1 67 67 GLY C C 13 169.623 0.300 . 1 . . . . 67 GLY C . 11137 1 770 . 1 1 67 67 GLY CA C 13 43.159 0.300 . 1 . . . . 67 GLY CA . 11137 1 771 . 1 1 67 67 GLY N N 15 113.008 0.300 . 1 . . . . 67 GLY N . 11137 1 772 . 1 1 68 68 LEU H H 1 9.337 0.030 . 1 . . . . 68 LEU H . 11137 1 773 . 1 1 68 68 LEU HA H 1 4.606 0.030 . 1 . . . . 68 LEU HA . 11137 1 774 . 1 1 68 68 LEU HB2 H 1 1.731 0.030 . 2 . . . . 68 LEU HB2 . 11137 1 775 . 1 1 68 68 LEU HB3 H 1 1.661 0.030 . 2 . . . . 68 LEU HB3 . 11137 1 776 . 1 1 68 68 LEU HD11 H 1 0.877 0.030 . 1 . . . . 68 LEU HD1 . 11137 1 777 . 1 1 68 68 LEU HD12 H 1 0.877 0.030 . 1 . . . . 68 LEU HD1 . 11137 1 778 . 1 1 68 68 LEU HD13 H 1 0.877 0.030 . 1 . . . . 68 LEU HD1 . 11137 1 779 . 1 1 68 68 LEU HD21 H 1 0.868 0.030 . 1 . . . . 68 LEU HD2 . 11137 1 780 . 1 1 68 68 LEU HD22 H 1 0.868 0.030 . 1 . . . . 68 LEU HD2 . 11137 1 781 . 1 1 68 68 LEU HD23 H 1 0.868 0.030 . 1 . . . . 68 LEU HD2 . 11137 1 782 . 1 1 68 68 LEU HG H 1 1.800 0.030 . 1 . . . . 68 LEU HG . 11137 1 783 . 1 1 68 68 LEU C C 13 174.584 0.300 . 1 . . . . 68 LEU C . 11137 1 784 . 1 1 68 68 LEU CA C 13 52.007 0.300 . 1 . . . . 68 LEU CA . 11137 1 785 . 1 1 68 68 LEU CB C 13 37.860 0.300 . 1 . . . . 68 LEU CB . 11137 1 786 . 1 1 68 68 LEU CD1 C 13 20.967 0.300 . 2 . . . . 68 LEU CD1 . 11137 1 787 . 1 1 68 68 LEU CD2 C 13 23.209 0.300 . 2 . . . . 68 LEU CD2 . 11137 1 788 . 1 1 68 68 LEU CG C 13 24.510 0.300 . 1 . . . . 68 LEU CG . 11137 1 789 . 1 1 68 68 LEU N N 15 122.855 0.300 . 1 . . . . 68 LEU N . 11137 1 790 . 1 1 69 69 PRO HA H 1 3.932 0.030 . 1 . . . . 69 PRO HA . 11137 1 791 . 1 1 69 69 PRO HB2 H 1 2.338 0.030 . 2 . . . . 69 PRO HB2 . 11137 1 792 . 1 1 69 69 PRO HB3 H 1 1.993 0.030 . 2 . . . . 69 PRO HB3 . 11137 1 793 . 1 1 69 69 PRO HD2 H 1 3.835 0.030 . 2 . . . . 69 PRO HD2 . 11137 1 794 . 1 1 69 69 PRO HD3 H 1 4.094 0.030 . 2 . . . . 69 PRO HD3 . 11137 1 795 . 1 1 69 69 PRO HG2 H 1 2.101 0.030 . 2 . . . . 69 PRO HG2 . 11137 1 796 . 1 1 69 69 PRO HG3 H 1 2.276 0.030 . 2 . . . . 69 PRO HG3 . 11137 1 797 . 1 1 69 69 PRO C C 13 176.186 0.300 . 1 . . . . 69 PRO C . 11137 1 798 . 1 1 69 69 PRO CA C 13 64.601 0.300 . 1 . . . . 69 PRO CA . 11137 1 799 . 1 1 69 69 PRO CB C 13 29.600 0.300 . 1 . . . . 69 PRO CB . 11137 1 800 . 1 1 69 69 PRO CD C 13 47.770 0.300 . 1 . . . . 69 PRO CD . 11137 1 801 . 1 1 69 69 PRO CG C 13 25.391 0.300 . 1 . . . . 69 PRO CG . 11137 1 802 . 1 1 70 70 GLU H H 1 9.764 0.030 . 1 . . . . 70 GLU H . 11137 1 803 . 1 1 70 70 GLU HA H 1 4.087 0.030 . 1 . . . . 70 GLU HA . 11137 1 804 . 1 1 70 70 GLU HB2 H 1 1.965 0.030 . 1 . . . . 70 GLU HB2 . 11137 1 805 . 1 1 70 70 GLU HB3 H 1 1.965 0.030 . 1 . . . . 70 GLU HB3 . 11137 1 806 . 1 1 70 70 GLU HG2 H 1 2.221 0.030 . 2 . . . . 70 GLU HG2 . 11137 1 807 . 1 1 70 70 GLU HG3 H 1 2.264 0.030 . 2 . . . . 70 GLU HG3 . 11137 1 808 . 1 1 70 70 GLU C C 13 175.937 0.300 . 1 . . . . 70 GLU C . 11137 1 809 . 1 1 70 70 GLU CA C 13 57.023 0.300 . 1 . . . . 70 GLU CA . 11137 1 810 . 1 1 70 70 GLU CB C 13 26.349 0.300 . 1 . . . . 70 GLU CB . 11137 1 811 . 1 1 70 70 GLU CG C 13 33.811 0.300 . 1 . . . . 70 GLU CG . 11137 1 812 . 1 1 70 70 GLU N N 15 116.438 0.300 . 1 . . . . 70 GLU N . 11137 1 813 . 1 1 71 71 ASN H H 1 7.045 0.030 . 1 . . . . 71 ASN H . 11137 1 814 . 1 1 71 71 ASN HA H 1 4.601 0.030 . 1 . . . . 71 ASN HA . 11137 1 815 . 1 1 71 71 ASN HB2 H 1 3.807 0.030 . 2 . . . . 71 ASN HB2 . 11137 1 816 . 1 1 71 71 ASN HB3 H 1 2.662 0.030 . 2 . . . . 71 ASN HB3 . 11137 1 817 . 1 1 71 71 ASN HD21 H 1 7.182 0.030 . 2 . . . . 71 ASN HD21 . 11137 1 818 . 1 1 71 71 ASN HD22 H 1 8.293 0.030 . 2 . . . . 71 ASN HD22 . 11137 1 819 . 1 1 71 71 ASN C C 13 174.538 0.300 . 1 . . . . 71 ASN C . 11137 1 820 . 1 1 71 71 ASN CA C 13 53.335 0.300 . 1 . . . . 71 ASN CA . 11137 1 821 . 1 1 71 71 ASN CB C 13 35.740 0.300 . 1 . . . . 71 ASN CB . 11137 1 822 . 1 1 71 71 ASN N N 15 119.147 0.300 . 1 . . . . 71 ASN N . 11137 1 823 . 1 1 71 71 ASN ND2 N 15 113.438 0.300 . 1 . . . . 71 ASN ND2 . 11137 1 824 . 1 1 72 72 VAL H H 1 8.289 0.030 . 1 . . . . 72 VAL H . 11137 1 825 . 1 1 72 72 VAL HA H 1 3.140 0.030 . 1 . . . . 72 VAL HA . 11137 1 826 . 1 1 72 72 VAL HB H 1 1.879 0.030 . 1 . . . . 72 VAL HB . 11137 1 827 . 1 1 72 72 VAL HG11 H 1 0.639 0.030 . 1 . . . . 72 VAL HG1 . 11137 1 828 . 1 1 72 72 VAL HG12 H 1 0.639 0.030 . 1 . . . . 72 VAL HG1 . 11137 1 829 . 1 1 72 72 VAL HG13 H 1 0.639 0.030 . 1 . . . . 72 VAL HG1 . 11137 1 830 . 1 1 72 72 VAL HG21 H 1 0.642 0.030 . 1 . . . . 72 VAL HG2 . 11137 1 831 . 1 1 72 72 VAL HG22 H 1 0.642 0.030 . 1 . . . . 72 VAL HG2 . 11137 1 832 . 1 1 72 72 VAL HG23 H 1 0.642 0.030 . 1 . . . . 72 VAL HG2 . 11137 1 833 . 1 1 72 72 VAL C C 13 174.748 0.300 . 1 . . . . 72 VAL C . 11137 1 834 . 1 1 72 72 VAL CA C 13 64.678 0.300 . 1 . . . . 72 VAL CA . 11137 1 835 . 1 1 72 72 VAL CB C 13 29.490 0.300 . 1 . . . . 72 VAL CB . 11137 1 836 . 1 1 72 72 VAL CG1 C 13 18.981 0.300 . 2 . . . . 72 VAL CG1 . 11137 1 837 . 1 1 72 72 VAL CG2 C 13 21.776 0.300 . 2 . . . . 72 VAL CG2 . 11137 1 838 . 1 1 72 72 VAL N N 15 120.487 0.300 . 1 . . . . 72 VAL N . 11137 1 839 . 1 1 73 73 GLU H H 1 7.844 0.030 . 1 . . . . 73 GLU H . 11137 1 840 . 1 1 73 73 GLU HA H 1 3.738 0.030 . 1 . . . . 73 GLU HA . 11137 1 841 . 1 1 73 73 GLU HB2 H 1 1.980 0.030 . 2 . . . . 73 GLU HB2 . 11137 1 842 . 1 1 73 73 GLU HB3 H 1 1.936 0.030 . 2 . . . . 73 GLU HB3 . 11137 1 843 . 1 1 73 73 GLU HG2 H 1 2.124 0.030 . 2 . . . . 73 GLU HG2 . 11137 1 844 . 1 1 73 73 GLU HG3 H 1 2.261 0.030 . 2 . . . . 73 GLU HG3 . 11137 1 845 . 1 1 73 73 GLU C C 13 176.647 0.300 . 1 . . . . 73 GLU C . 11137 1 846 . 1 1 73 73 GLU CA C 13 57.529 0.300 . 1 . . . . 73 GLU CA . 11137 1 847 . 1 1 73 73 GLU CB C 13 27.229 0.300 . 1 . . . . 73 GLU CB . 11137 1 848 . 1 1 73 73 GLU CG C 13 33.741 0.300 . 1 . . . . 73 GLU CG . 11137 1 849 . 1 1 73 73 GLU N N 15 116.750 0.300 . 1 . . . . 73 GLU N . 11137 1 850 . 1 1 74 74 GLU H H 1 7.124 0.030 . 1 . . . . 74 GLU H . 11137 1 851 . 1 1 74 74 GLU HA H 1 3.974 0.030 . 1 . . . . 74 GLU HA . 11137 1 852 . 1 1 74 74 GLU HB2 H 1 2.080 0.030 . 1 . . . . 74 GLU HB2 . 11137 1 853 . 1 1 74 74 GLU HB3 H 1 2.080 0.030 . 1 . . . . 74 GLU HB3 . 11137 1 854 . 1 1 74 74 GLU HG2 H 1 2.597 0.030 . 2 . . . . 74 GLU HG2 . 11137 1 855 . 1 1 74 74 GLU HG3 H 1 2.239 0.030 . 2 . . . . 74 GLU HG3 . 11137 1 856 . 1 1 74 74 GLU C C 13 176.629 0.300 . 1 . . . . 74 GLU C . 11137 1 857 . 1 1 74 74 GLU CA C 13 57.124 0.300 . 1 . . . . 74 GLU CA . 11137 1 858 . 1 1 74 74 GLU CB C 13 27.599 0.300 . 1 . . . . 74 GLU CB . 11137 1 859 . 1 1 74 74 GLU CG C 13 34.906 0.300 . 1 . . . . 74 GLU CG . 11137 1 860 . 1 1 74 74 GLU N N 15 116.831 0.300 . 1 . . . . 74 GLU N . 11137 1 861 . 1 1 75 75 ALA H H 1 8.238 0.030 . 1 . . . . 75 ALA H . 11137 1 862 . 1 1 75 75 ALA HA H 1 2.742 0.030 . 1 . . . . 75 ALA HA . 11137 1 863 . 1 1 75 75 ALA HB1 H 1 1.023 0.030 . 1 . . . . 75 ALA HB . 11137 1 864 . 1 1 75 75 ALA HB2 H 1 1.023 0.030 . 1 . . . . 75 ALA HB . 11137 1 865 . 1 1 75 75 ALA HB3 H 1 1.023 0.030 . 1 . . . . 75 ALA HB . 11137 1 866 . 1 1 75 75 ALA C C 13 177.038 0.300 . 1 . . . . 75 ALA C . 11137 1 867 . 1 1 75 75 ALA CA C 13 52.456 0.300 . 1 . . . . 75 ALA CA . 11137 1 868 . 1 1 75 75 ALA CB C 13 16.870 0.300 . 1 . . . . 75 ALA CB . 11137 1 869 . 1 1 75 75 ALA N N 15 122.840 0.300 . 1 . . . . 75 ALA N . 11137 1 870 . 1 1 76 76 ILE H H 1 8.394 0.030 . 1 . . . . 76 ILE H . 11137 1 871 . 1 1 76 76 ILE HA H 1 3.240 0.030 . 1 . . . . 76 ILE HA . 11137 1 872 . 1 1 76 76 ILE HB H 1 1.699 0.030 . 1 . . . . 76 ILE HB . 11137 1 873 . 1 1 76 76 ILE HD11 H 1 0.548 0.030 . 1 . . . . 76 ILE HD1 . 11137 1 874 . 1 1 76 76 ILE HD12 H 1 0.548 0.030 . 1 . . . . 76 ILE HD1 . 11137 1 875 . 1 1 76 76 ILE HD13 H 1 0.548 0.030 . 1 . . . . 76 ILE HD1 . 11137 1 876 . 1 1 76 76 ILE HG12 H 1 1.796 0.030 . 2 . . . . 76 ILE HG12 . 11137 1 877 . 1 1 76 76 ILE HG13 H 1 0.566 0.030 . 2 . . . . 76 ILE HG13 . 11137 1 878 . 1 1 76 76 ILE HG21 H 1 0.753 0.030 . 1 . . . . 76 ILE HG2 . 11137 1 879 . 1 1 76 76 ILE HG22 H 1 0.753 0.030 . 1 . . . . 76 ILE HG2 . 11137 1 880 . 1 1 76 76 ILE HG23 H 1 0.753 0.030 . 1 . . . . 76 ILE HG2 . 11137 1 881 . 1 1 76 76 ILE C C 13 174.688 0.300 . 1 . . . . 76 ILE C . 11137 1 882 . 1 1 76 76 ILE CA C 13 64.480 0.300 . 1 . . . . 76 ILE CA . 11137 1 883 . 1 1 76 76 ILE CB C 13 35.301 0.300 . 1 . . . . 76 ILE CB . 11137 1 884 . 1 1 76 76 ILE CD1 C 13 12.483 0.300 . 1 . . . . 76 ILE CD1 . 11137 1 885 . 1 1 76 76 ILE CG1 C 13 28.684 0.300 . 1 . . . . 76 ILE CG1 . 11137 1 886 . 1 1 76 76 ILE CG2 C 13 14.858 0.300 . 1 . . . . 76 ILE CG2 . 11137 1 887 . 1 1 76 76 ILE N N 15 117.663 0.300 . 1 . . . . 76 ILE N . 11137 1 888 . 1 1 77 77 ASP H H 1 7.332 0.030 . 1 . . . . 77 ASP H . 11137 1 889 . 1 1 77 77 ASP HA H 1 4.190 0.030 . 1 . . . . 77 ASP HA . 11137 1 890 . 1 1 77 77 ASP HB2 H 1 2.603 0.030 . 2 . . . . 77 ASP HB2 . 11137 1 891 . 1 1 77 77 ASP HB3 H 1 2.536 0.030 . 2 . . . . 77 ASP HB3 . 11137 1 892 . 1 1 77 77 ASP C C 13 176.025 0.300 . 1 . . . . 77 ASP C . 11137 1 893 . 1 1 77 77 ASP CA C 13 55.363 0.300 . 1 . . . . 77 ASP CA . 11137 1 894 . 1 1 77 77 ASP CB C 13 38.534 0.300 . 1 . . . . 77 ASP CB . 11137 1 895 . 1 1 77 77 ASP N N 15 118.002 0.300 . 1 . . . . 77 ASP N . 11137 1 896 . 1 1 78 78 HIS H H 1 7.406 0.030 . 1 . . . . 78 HIS H . 11137 1 897 . 1 1 78 78 HIS HA H 1 4.132 0.030 . 1 . . . . 78 HIS HA . 11137 1 898 . 1 1 78 78 HIS HB2 H 1 2.845 0.030 . 2 . . . . 78 HIS HB2 . 11137 1 899 . 1 1 78 78 HIS HB3 H 1 2.961 0.030 . 2 . . . . 78 HIS HB3 . 11137 1 900 . 1 1 78 78 HIS HD2 H 1 6.478 0.030 . 1 . . . . 78 HIS HD2 . 11137 1 901 . 1 1 78 78 HIS HE1 H 1 7.829 0.030 . 1 . . . . 78 HIS HE1 . 11137 1 902 . 1 1 78 78 HIS C C 13 175.819 0.300 . 1 . . . . 78 HIS C . 11137 1 903 . 1 1 78 78 HIS CA C 13 57.851 0.300 . 1 . . . . 78 HIS CA . 11137 1 904 . 1 1 78 78 HIS CB C 13 28.133 0.300 . 1 . . . . 78 HIS CB . 11137 1 905 . 1 1 78 78 HIS CD2 C 13 118.894 0.300 . 1 . . . . 78 HIS CD2 . 11137 1 906 . 1 1 78 78 HIS CE1 C 13 137.017 0.300 . 1 . . . . 78 HIS CE1 . 11137 1 907 . 1 1 78 78 HIS N N 15 116.967 0.300 . 1 . . . . 78 HIS N . 11137 1 908 . 1 1 79 79 ILE H H 1 8.486 0.030 . 1 . . . . 79 ILE H . 11137 1 909 . 1 1 79 79 ILE HA H 1 3.583 0.030 . 1 . . . . 79 ILE HA . 11137 1 910 . 1 1 79 79 ILE HB H 1 1.829 0.030 . 1 . . . . 79 ILE HB . 11137 1 911 . 1 1 79 79 ILE HD11 H 1 0.543 0.030 . 1 . . . . 79 ILE HD1 . 11137 1 912 . 1 1 79 79 ILE HD12 H 1 0.543 0.030 . 1 . . . . 79 ILE HD1 . 11137 1 913 . 1 1 79 79 ILE HD13 H 1 0.543 0.030 . 1 . . . . 79 ILE HD1 . 11137 1 914 . 1 1 79 79 ILE HG12 H 1 1.605 0.030 . 2 . . . . 79 ILE HG12 . 11137 1 915 . 1 1 79 79 ILE HG13 H 1 1.183 0.030 . 2 . . . . 79 ILE HG13 . 11137 1 916 . 1 1 79 79 ILE HG21 H 1 0.787 0.030 . 1 . . . . 79 ILE HG2 . 11137 1 917 . 1 1 79 79 ILE HG22 H 1 0.787 0.030 . 1 . . . . 79 ILE HG2 . 11137 1 918 . 1 1 79 79 ILE HG23 H 1 0.787 0.030 . 1 . . . . 79 ILE HG2 . 11137 1 919 . 1 1 79 79 ILE C C 13 175.137 0.300 . 1 . . . . 79 ILE C . 11137 1 920 . 1 1 79 79 ILE CA C 13 63.333 0.300 . 1 . . . . 79 ILE CA . 11137 1 921 . 1 1 79 79 ILE CB C 13 35.716 0.300 . 1 . . . . 79 ILE CB . 11137 1 922 . 1 1 79 79 ILE CD1 C 13 11.037 0.300 . 1 . . . . 79 ILE CD1 . 11137 1 923 . 1 1 79 79 ILE CG1 C 13 26.026 0.300 . 1 . . . . 79 ILE CG1 . 11137 1 924 . 1 1 79 79 ILE CG2 C 13 15.485 0.300 . 1 . . . . 79 ILE CG2 . 11137 1 925 . 1 1 79 79 ILE N N 15 117.178 0.300 . 1 . . . . 79 ILE N . 11137 1 926 . 1 1 80 80 LEU H H 1 8.620 0.030 . 1 . . . . 80 LEU H . 11137 1 927 . 1 1 80 80 LEU HA H 1 4.070 0.030 . 1 . . . . 80 LEU HA . 11137 1 928 . 1 1 80 80 LEU HB2 H 1 1.798 0.030 . 2 . . . . 80 LEU HB2 . 11137 1 929 . 1 1 80 80 LEU HB3 H 1 1.362 0.030 . 2 . . . . 80 LEU HB3 . 11137 1 930 . 1 1 80 80 LEU HD11 H 1 0.746 0.030 . 1 . . . . 80 LEU HD1 . 11137 1 931 . 1 1 80 80 LEU HD12 H 1 0.746 0.030 . 1 . . . . 80 LEU HD1 . 11137 1 932 . 1 1 80 80 LEU HD13 H 1 0.746 0.030 . 1 . . . . 80 LEU HD1 . 11137 1 933 . 1 1 80 80 LEU HD21 H 1 0.734 0.030 . 1 . . . . 80 LEU HD2 . 11137 1 934 . 1 1 80 80 LEU HD22 H 1 0.734 0.030 . 1 . . . . 80 LEU HD2 . 11137 1 935 . 1 1 80 80 LEU HD23 H 1 0.734 0.030 . 1 . . . . 80 LEU HD2 . 11137 1 936 . 1 1 80 80 LEU HG H 1 1.725 0.030 . 1 . . . . 80 LEU HG . 11137 1 937 . 1 1 80 80 LEU C C 13 178.460 0.300 . 1 . . . . 80 LEU C . 11137 1 938 . 1 1 80 80 LEU CA C 13 55.315 0.300 . 1 . . . . 80 LEU CA . 11137 1 939 . 1 1 80 80 LEU CB C 13 38.180 0.300 . 1 . . . . 80 LEU CB . 11137 1 940 . 1 1 80 80 LEU CD1 C 13 23.478 0.300 . 2 . . . . 80 LEU CD1 . 11137 1 941 . 1 1 80 80 LEU CD2 C 13 19.990 0.300 . 2 . . . . 80 LEU CD2 . 11137 1 942 . 1 1 80 80 LEU CG C 13 24.537 0.300 . 1 . . . . 80 LEU CG . 11137 1 943 . 1 1 80 80 LEU N N 15 120.265 0.300 . 1 . . . . 80 LEU N . 11137 1 944 . 1 1 81 81 ASN H H 1 7.621 0.030 . 1 . . . . 81 ASN H . 11137 1 945 . 1 1 81 81 ASN HA H 1 4.439 0.030 . 1 . . . . 81 ASN HA . 11137 1 946 . 1 1 81 81 ASN HB2 H 1 2.808 0.030 . 2 . . . . 81 ASN HB2 . 11137 1 947 . 1 1 81 81 ASN HB3 H 1 2.649 0.030 . 2 . . . . 81 ASN HB3 . 11137 1 948 . 1 1 81 81 ASN HD21 H 1 7.488 0.030 . 2 . . . . 81 ASN HD21 . 11137 1 949 . 1 1 81 81 ASN HD22 H 1 6.724 0.030 . 2 . . . . 81 ASN HD22 . 11137 1 950 . 1 1 81 81 ASN C C 13 175.602 0.300 . 1 . . . . 81 ASN C . 11137 1 951 . 1 1 81 81 ASN CA C 13 53.957 0.300 . 1 . . . . 81 ASN CA . 11137 1 952 . 1 1 81 81 ASN CB C 13 35.893 0.300 . 1 . . . . 81 ASN CB . 11137 1 953 . 1 1 81 81 ASN N N 15 119.935 0.300 . 1 . . . . 81 ASN N . 11137 1 954 . 1 1 81 81 ASN ND2 N 15 112.971 0.300 . 1 . . . . 81 ASN ND2 . 11137 1 955 . 1 1 82 82 LEU H H 1 7.562 0.030 . 1 . . . . 82 LEU H . 11137 1 956 . 1 1 82 82 LEU HA H 1 3.574 0.030 . 1 . . . . 82 LEU HA . 11137 1 957 . 1 1 82 82 LEU HB2 H 1 1.741 0.030 . 2 . . . . 82 LEU HB2 . 11137 1 958 . 1 1 82 82 LEU HB3 H 1 0.887 0.030 . 2 . . . . 82 LEU HB3 . 11137 1 959 . 1 1 82 82 LEU HD11 H 1 0.756 0.030 . 1 . . . . 82 LEU HD1 . 11137 1 960 . 1 1 82 82 LEU HD12 H 1 0.756 0.030 . 1 . . . . 82 LEU HD1 . 11137 1 961 . 1 1 82 82 LEU HD13 H 1 0.756 0.030 . 1 . . . . 82 LEU HD1 . 11137 1 962 . 1 1 82 82 LEU HD21 H 1 0.535 0.030 . 1 . . . . 82 LEU HD2 . 11137 1 963 . 1 1 82 82 LEU HD22 H 1 0.535 0.030 . 1 . . . . 82 LEU HD2 . 11137 1 964 . 1 1 82 82 LEU HD23 H 1 0.535 0.030 . 1 . . . . 82 LEU HD2 . 11137 1 965 . 1 1 82 82 LEU HG H 1 1.270 0.030 . 1 . . . . 82 LEU HG . 11137 1 966 . 1 1 82 82 LEU C C 13 175.612 0.300 . 1 . . . . 82 LEU C . 11137 1 967 . 1 1 82 82 LEU CA C 13 55.104 0.300 . 1 . . . . 82 LEU CA . 11137 1 968 . 1 1 82 82 LEU CB C 13 38.869 0.300 . 1 . . . . 82 LEU CB . 11137 1 969 . 1 1 82 82 LEU CD1 C 13 23.985 0.300 . 2 . . . . 82 LEU CD1 . 11137 1 970 . 1 1 82 82 LEU CD2 C 13 19.661 0.300 . 2 . . . . 82 LEU CD2 . 11137 1 971 . 1 1 82 82 LEU CG C 13 23.746 0.300 . 1 . . . . 82 LEU CG . 11137 1 972 . 1 1 82 82 LEU N N 15 120.585 0.300 . 1 . . . . 82 LEU N . 11137 1 973 . 1 1 83 83 GLU H H 1 8.307 0.030 . 1 . . . . 83 GLU H . 11137 1 974 . 1 1 83 83 GLU HA H 1 3.621 0.030 . 1 . . . . 83 GLU HA . 11137 1 975 . 1 1 83 83 GLU HB2 H 1 2.320 0.030 . 2 . . . . 83 GLU HB2 . 11137 1 976 . 1 1 83 83 GLU HB3 H 1 1.911 0.030 . 2 . . . . 83 GLU HB3 . 11137 1 977 . 1 1 83 83 GLU HG2 H 1 2.136 0.030 . 2 . . . . 83 GLU HG2 . 11137 1 978 . 1 1 83 83 GLU HG3 H 1 2.056 0.030 . 2 . . . . 83 GLU HG3 . 11137 1 979 . 1 1 83 83 GLU C C 13 174.933 0.300 . 1 . . . . 83 GLU C . 11137 1 980 . 1 1 83 83 GLU CA C 13 57.938 0.300 . 1 . . . . 83 GLU CA . 11137 1 981 . 1 1 83 83 GLU CB C 13 27.478 0.300 . 1 . . . . 83 GLU CB . 11137 1 982 . 1 1 83 83 GLU CG C 13 34.781 0.300 . 1 . . . . 83 GLU CG . 11137 1 983 . 1 1 83 83 GLU N N 15 118.722 0.300 . 1 . . . . 83 GLU N . 11137 1 984 . 1 1 84 84 GLU H H 1 7.484 0.030 . 1 . . . . 84 GLU H . 11137 1 985 . 1 1 84 84 GLU HA H 1 3.836 0.030 . 1 . . . . 84 GLU HA . 11137 1 986 . 1 1 84 84 GLU HB2 H 1 2.044 0.030 . 1 . . . . 84 GLU HB2 . 11137 1 987 . 1 1 84 84 GLU HB3 H 1 2.044 0.030 . 1 . . . . 84 GLU HB3 . 11137 1 988 . 1 1 84 84 GLU HG2 H 1 2.262 0.030 . 2 . . . . 84 GLU HG2 . 11137 1 989 . 1 1 84 84 GLU HG3 H 1 2.126 0.030 . 2 . . . . 84 GLU HG3 . 11137 1 990 . 1 1 84 84 GLU C C 13 176.834 0.300 . 1 . . . . 84 GLU C . 11137 1 991 . 1 1 84 84 GLU CA C 13 57.130 0.300 . 1 . . . . 84 GLU CA . 11137 1 992 . 1 1 84 84 GLU CB C 13 27.399 0.300 . 1 . . . . 84 GLU CB . 11137 1 993 . 1 1 84 84 GLU CG C 13 33.844 0.300 . 1 . . . . 84 GLU CG . 11137 1 994 . 1 1 84 84 GLU N N 15 116.687 0.300 . 1 . . . . 84 GLU N . 11137 1 995 . 1 1 85 85 GLU H H 1 7.660 0.030 . 1 . . . . 85 GLU H . 11137 1 996 . 1 1 85 85 GLU HA H 1 3.900 0.030 . 1 . . . . 85 GLU HA . 11137 1 997 . 1 1 85 85 GLU HB2 H 1 1.857 0.030 . 2 . . . . 85 GLU HB2 . 11137 1 998 . 1 1 85 85 GLU HB3 H 1 1.761 0.030 . 2 . . . . 85 GLU HB3 . 11137 1 999 . 1 1 85 85 GLU HG2 H 1 2.207 0.030 . 2 . . . . 85 GLU HG2 . 11137 1 1000 . 1 1 85 85 GLU HG3 H 1 1.978 0.030 . 2 . . . . 85 GLU HG3 . 11137 1 1001 . 1 1 85 85 GLU C C 13 177.177 0.300 . 1 . . . . 85 GLU C . 11137 1 1002 . 1 1 85 85 GLU CA C 13 56.878 0.300 . 1 . . . . 85 GLU CA . 11137 1 1003 . 1 1 85 85 GLU CB C 13 27.146 0.300 . 1 . . . . 85 GLU CB . 11137 1 1004 . 1 1 85 85 GLU CG C 13 33.544 0.300 . 1 . . . . 85 GLU CG . 11137 1 1005 . 1 1 85 85 GLU N N 15 119.177 0.300 . 1 . . . . 85 GLU N . 11137 1 1006 . 1 1 86 86 TYR H H 1 8.676 0.030 . 1 . . . . 86 TYR H . 11137 1 1007 . 1 1 86 86 TYR HA H 1 4.640 0.030 . 1 . . . . 86 TYR HA . 11137 1 1008 . 1 1 86 86 TYR HB2 H 1 3.002 0.030 . 2 . . . . 86 TYR HB2 . 11137 1 1009 . 1 1 86 86 TYR HB3 H 1 2.909 0.030 . 2 . . . . 86 TYR HB3 . 11137 1 1010 . 1 1 86 86 TYR HD1 H 1 6.780 0.030 . 1 . . . . 86 TYR HD1 . 11137 1 1011 . 1 1 86 86 TYR HD2 H 1 6.780 0.030 . 1 . . . . 86 TYR HD2 . 11137 1 1012 . 1 1 86 86 TYR HE1 H 1 6.565 0.030 . 1 . . . . 86 TYR HE1 . 11137 1 1013 . 1 1 86 86 TYR HE2 H 1 6.565 0.030 . 1 . . . . 86 TYR HE2 . 11137 1 1014 . 1 1 86 86 TYR C C 13 176.737 0.300 . 1 . . . . 86 TYR C . 11137 1 1015 . 1 1 86 86 TYR CA C 13 55.256 0.300 . 1 . . . . 86 TYR CA . 11137 1 1016 . 1 1 86 86 TYR CB C 13 34.590 0.300 . 1 . . . . 86 TYR CB . 11137 1 1017 . 1 1 86 86 TYR CD1 C 13 128.600 0.300 . 1 . . . . 86 TYR CD1 . 11137 1 1018 . 1 1 86 86 TYR CD2 C 13 128.600 0.300 . 1 . . . . 86 TYR CD2 . 11137 1 1019 . 1 1 86 86 TYR CE1 C 13 115.642 0.300 . 1 . . . . 86 TYR CE1 . 11137 1 1020 . 1 1 86 86 TYR CE2 C 13 115.642 0.300 . 1 . . . . 86 TYR CE2 . 11137 1 1021 . 1 1 86 86 TYR N N 15 118.032 0.300 . 1 . . . . 86 TYR N . 11137 1 1022 . 1 1 87 87 LEU H H 1 8.500 0.030 . 1 . . . . 87 LEU H . 11137 1 1023 . 1 1 87 87 LEU HA H 1 4.077 0.030 . 1 . . . . 87 LEU HA . 11137 1 1024 . 1 1 87 87 LEU HB2 H 1 1.782 0.030 . 2 . . . . 87 LEU HB2 . 11137 1 1025 . 1 1 87 87 LEU HB3 H 1 1.362 0.030 . 2 . . . . 87 LEU HB3 . 11137 1 1026 . 1 1 87 87 LEU HD11 H 1 0.750 0.030 . 1 . . . . 87 LEU HD1 . 11137 1 1027 . 1 1 87 87 LEU HD12 H 1 0.750 0.030 . 1 . . . . 87 LEU HD1 . 11137 1 1028 . 1 1 87 87 LEU HD13 H 1 0.750 0.030 . 1 . . . . 87 LEU HD1 . 11137 1 1029 . 1 1 87 87 LEU HD21 H 1 0.645 0.030 . 1 . . . . 87 LEU HD2 . 11137 1 1030 . 1 1 87 87 LEU HD22 H 1 0.645 0.030 . 1 . . . . 87 LEU HD2 . 11137 1 1031 . 1 1 87 87 LEU HD23 H 1 0.645 0.030 . 1 . . . . 87 LEU HD2 . 11137 1 1032 . 1 1 87 87 LEU HG H 1 1.704 0.030 . 1 . . . . 87 LEU HG . 11137 1 1033 . 1 1 87 87 LEU C C 13 176.288 0.300 . 1 . . . . 87 LEU C . 11137 1 1034 . 1 1 87 87 LEU CA C 13 54.302 0.300 . 1 . . . . 87 LEU CA . 11137 1 1035 . 1 1 87 87 LEU CB C 13 39.630 0.300 . 1 . . . . 87 LEU CB . 11137 1 1036 . 1 1 87 87 LEU CD1 C 13 23.511 0.300 . 2 . . . . 87 LEU CD1 . 11137 1 1037 . 1 1 87 87 LEU CD2 C 13 20.379 0.300 . 2 . . . . 87 LEU CD2 . 11137 1 1038 . 1 1 87 87 LEU CG C 13 24.506 0.300 . 1 . . . . 87 LEU CG . 11137 1 1039 . 1 1 87 87 LEU N N 15 120.874 0.300 . 1 . . . . 87 LEU N . 11137 1 1040 . 1 1 88 88 ALA H H 1 7.368 0.030 . 1 . . . . 88 ALA H . 11137 1 1041 . 1 1 88 88 ALA HA H 1 4.169 0.030 . 1 . . . . 88 ALA HA . 11137 1 1042 . 1 1 88 88 ALA HB1 H 1 1.416 0.030 . 1 . . . . 88 ALA HB . 11137 1 1043 . 1 1 88 88 ALA HB2 H 1 1.416 0.030 . 1 . . . . 88 ALA HB . 11137 1 1044 . 1 1 88 88 ALA HB3 H 1 1.416 0.030 . 1 . . . . 88 ALA HB . 11137 1 1045 . 1 1 88 88 ALA C C 13 175.748 0.300 . 1 . . . . 88 ALA C . 11137 1 1046 . 1 1 88 88 ALA CA C 13 51.307 0.300 . 1 . . . . 88 ALA CA . 11137 1 1047 . 1 1 88 88 ALA CB C 13 16.352 0.300 . 1 . . . . 88 ALA CB . 11137 1 1048 . 1 1 88 88 ALA N N 15 121.093 0.300 . 1 . . . . 88 ALA N . 11137 1 1049 . 1 1 89 89 ASP H H 1 7.687 0.030 . 1 . . . . 89 ASP H . 11137 1 1050 . 1 1 89 89 ASP HA H 1 4.675 0.030 . 1 . . . . 89 ASP HA . 11137 1 1051 . 1 1 89 89 ASP HB2 H 1 2.727 0.030 . 2 . . . . 89 ASP HB2 . 11137 1 1052 . 1 1 89 89 ASP HB3 H 1 2.651 0.030 . 2 . . . . 89 ASP HB3 . 11137 1 1053 . 1 1 89 89 ASP C C 13 174.067 0.300 . 1 . . . . 89 ASP C . 11137 1 1054 . 1 1 89 89 ASP CA C 13 52.030 0.300 . 1 . . . . 89 ASP CA . 11137 1 1055 . 1 1 89 89 ASP CB C 13 39.059 0.300 . 1 . . . . 89 ASP CB . 11137 1 1056 . 1 1 89 89 ASP N N 15 117.840 0.300 . 1 . . . . 89 ASP N . 11137 1 1057 . 1 1 90 90 SER H H 1 7.973 0.030 . 1 . . . . 90 SER H . 11137 1 1058 . 1 1 90 90 SER HA H 1 4.417 0.030 . 1 . . . . 90 SER HA . 11137 1 1059 . 1 1 90 90 SER HB2 H 1 3.851 0.030 . 1 . . . . 90 SER HB2 . 11137 1 1060 . 1 1 90 90 SER HB3 H 1 3.851 0.030 . 1 . . . . 90 SER HB3 . 11137 1 1061 . 1 1 90 90 SER C C 13 172.552 0.300 . 1 . . . . 90 SER C . 11137 1 1062 . 1 1 90 90 SER CA C 13 56.454 0.300 . 1 . . . . 90 SER CA . 11137 1 1063 . 1 1 90 90 SER CB C 13 61.847 0.300 . 1 . . . . 90 SER CB . 11137 1 1064 . 1 1 90 90 SER N N 15 115.608 0.300 . 1 . . . . 90 SER N . 11137 1 1065 . 1 1 91 91 GLY H H 1 8.193 0.030 . 1 . . . . 91 GLY H . 11137 1 1066 . 1 1 91 91 GLY HA2 H 1 4.045 0.030 . 1 . . . . 91 GLY HA2 . 11137 1 1067 . 1 1 91 91 GLY HA3 H 1 4.045 0.030 . 1 . . . . 91 GLY HA3 . 11137 1 1068 . 1 1 91 91 GLY C C 13 169.582 0.300 . 1 . . . . 91 GLY C . 11137 1 1069 . 1 1 91 91 GLY CA C 13 42.484 0.300 . 1 . . . . 91 GLY CA . 11137 1 1070 . 1 1 91 91 GLY N N 15 110.363 0.300 . 1 . . . . 91 GLY N . 11137 1 1071 . 1 1 92 92 PRO HA H 1 4.430 0.030 . 1 . . . . 92 PRO HA . 11137 1 1072 . 1 1 92 92 PRO HB2 H 1 2.215 0.030 . 2 . . . . 92 PRO HB2 . 11137 1 1073 . 1 1 92 92 PRO HB3 H 1 1.897 0.030 . 2 . . . . 92 PRO HB3 . 11137 1 1074 . 1 1 92 92 PRO HD2 H 1 3.555 0.030 . 1 . . . . 92 PRO HD2 . 11137 1 1075 . 1 1 92 92 PRO HD3 H 1 3.555 0.030 . 1 . . . . 92 PRO HD3 . 11137 1 1076 . 1 1 92 92 PRO HG2 H 1 1.938 0.030 . 1 . . . . 92 PRO HG2 . 11137 1 1077 . 1 1 92 92 PRO HG3 H 1 1.938 0.030 . 1 . . . . 92 PRO HG3 . 11137 1 1078 . 1 1 92 92 PRO C C 13 175.151 0.300 . 1 . . . . 92 PRO C . 11137 1 1079 . 1 1 92 92 PRO CA C 13 60.731 0.300 . 1 . . . . 92 PRO CA . 11137 1 1080 . 1 1 92 92 PRO CB C 13 29.843 0.300 . 1 . . . . 92 PRO CB . 11137 1 1081 . 1 1 92 92 PRO CD C 13 47.516 0.300 . 1 . . . . 92 PRO CD . 11137 1 1082 . 1 1 92 92 PRO CG C 13 24.836 0.300 . 1 . . . . 92 PRO CG . 11137 1 1083 . 1 1 93 93 SER H H 1 8.449 0.030 . 1 . . . . 93 SER H . 11137 1 1084 . 1 1 93 93 SER HA H 1 4.396 0.030 . 1 . . . . 93 SER HA . 11137 1 1085 . 1 1 93 93 SER HB2 H 1 3.833 0.030 . 1 . . . . 93 SER HB2 . 11137 1 1086 . 1 1 93 93 SER HB3 H 1 3.833 0.030 . 1 . . . . 93 SER HB3 . 11137 1 1087 . 1 1 93 93 SER C C 13 175.167 0.300 . 1 . . . . 93 SER C . 11137 1 1088 . 1 1 93 93 SER CA C 13 56.085 0.300 . 1 . . . . 93 SER CA . 11137 1 1089 . 1 1 93 93 SER CB C 13 61.568 0.300 . 1 . . . . 93 SER CB . 11137 1 1090 . 1 1 93 93 SER N N 15 116.030 0.300 . 1 . . . . 93 SER N . 11137 1 1091 . 1 1 94 94 SER HA H 1 4.487 0.030 . 1 . . . . 94 SER HA . 11137 1 1092 . 1 1 94 94 SER HB2 H 1 3.828 0.030 . 1 . . . . 94 SER HB2 . 11137 1 1093 . 1 1 94 94 SER HB3 H 1 3.828 0.030 . 1 . . . . 94 SER HB3 . 11137 1 1094 . 1 1 94 94 SER C C 13 171.648 0.300 . 1 . . . . 94 SER C . 11137 1 1095 . 1 1 94 94 SER CA C 13 56.014 0.300 . 1 . . . . 94 SER CA . 11137 1 1096 . 1 1 94 94 SER CB C 13 61.861 0.300 . 1 . . . . 94 SER CB . 11137 1 1097 . 1 1 95 95 GLY H H 1 7.966 0.030 . 1 . . . . 95 GLY H . 11137 1 1098 . 1 1 95 95 GLY HA2 H 1 3.721 0.030 . 2 . . . . 95 GLY HA2 . 11137 1 1099 . 1 1 95 95 GLY HA3 H 1 3.682 0.030 . 2 . . . . 95 GLY HA3 . 11137 1 1100 . 1 1 95 95 GLY C C 13 176.697 0.300 . 1 . . . . 95 GLY C . 11137 1 1101 . 1 1 95 95 GLY CA C 13 43.873 0.300 . 1 . . . . 95 GLY CA . 11137 1 1102 . 1 1 95 95 GLY N N 15 116.475 0.300 . 1 . . . . 95 GLY N . 11137 1 stop_ save_