data_15528 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15528 _Entry.Title ; Solution structure of the protease-resistent domain of Xenopus ePABP2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-16 _Entry.Accession_date 2007-10-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.109 _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 J. Song J. . . 15528 2 J. Markley J. L. . 15528 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 1 'PSI, Protein Structure Initiative' 'Center for Eukaryotic Structural Genomics' . 15528 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Center for Eukaryotic Structural Genomics' . 15528 ePABP2 . 15528 'poly(A) binding' . 15528 'Protein Structure Initiative' . 15528 PSI . 15528 'Structural Genomics' . 15528 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15528 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 460 15528 '15N chemical shifts' 124 15528 '1H chemical shifts' 715 15528 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 3 . . 2009-06-16 2007-10-16 update BMRB 'added time domain data' 15528 2 . . 2008-10-23 2007-10-16 update BMRB 'complete entry citation' 15528 1 . . 2007-10-19 2007-10-16 original author 'original release' 15528 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15528 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18824697 _Citation.Full_citation . _Citation.Title 'Structural basis for RNA recognition by a type II poly(A)-binding protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 105 _Citation.Journal_issue 40 _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 15317 _Citation.Page_last 15322 _Citation.Year 2008 _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 Jikui Song . . . 15528 1 2 Jered McGivern . V. . 15528 1 3 Karl Nichols . W. . 15528 1 4 John Markley . L. . 15528 1 5 Michael Sheets . D. . 15528 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15528 _Assembly.ID 1 _Assembly.Name ePABP2-trp _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'protease-resistent domain, chain 1' 1 $ePABP2-trp A . yes native no no . . . 15528 1 2 'protease-resistent domain, chain 2' 1 $ePABP2-trp A . yes native no no . . . 15528 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ePABP2-trp _Entity.Sf_category entity _Entity.Sf_framecode ePABP2-trp _Entity.Entry_ID 15528 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ePABP2-trp _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AIAPCMQTTHSKMTAGAYTE GPPQPLSAEEKKEIDKRSVY VGNVDYGSTAQDLEAHFSSC GSINRITILCDKFSGHPKGY AYIEFAERNSVDAAVAMDET VFRGRTIKVLPKRTNMPGIS STDR ; _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _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 1 no PDB 2JWN . "Solution Nmr Structure Of The Protease-Resistent Domain Of Xenopus Laevis Epabp2" . . . . . 100.00 124 100.00 100.00 1.62e-86 . . . . 15528 1 2 no GB AAI70309 . "Embryonic poly(A) binding protein 2 [Xenopus laevis]" . . . . . 97.58 218 100.00 100.00 5.95e-83 . . . . 15528 1 3 no GB AAI70311 . "LOC403372 protein [Xenopus laevis]" . . . . . 97.58 218 99.17 99.17 1.25e-81 . . . . 15528 1 4 no GB AAR26263 . "embryonic poly(A) binding protein 2 [Xenopus laevis]" . . . . . 97.58 218 100.00 100.00 5.75e-83 . . . . 15528 1 5 no REF NP_001084418 . "embryonic polyadenylate-binding protein 2-B [Xenopus laevis]" . . . . . 97.58 218 100.00 100.00 5.75e-83 . . . . 15528 1 6 no SP Q6TY21 . "RecName: Full=Embryonic polyadenylate-binding protein 2-B; Short=Embryonic poly(A)-binding protein 2-B; Short=XePABP2-B; Short=" . . . . . 97.58 218 100.00 100.00 5.75e-83 . . . . 15528 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 . ALA . 15528 1 2 . ILE . 15528 1 3 . ALA . 15528 1 4 . PRO . 15528 1 5 . CYS . 15528 1 6 . MET . 15528 1 7 . GLN . 15528 1 8 . THR . 15528 1 9 . THR . 15528 1 10 . HIS . 15528 1 11 . SER . 15528 1 12 . LYS . 15528 1 13 . MET . 15528 1 14 . THR . 15528 1 15 . ALA . 15528 1 16 . GLY . 15528 1 17 . ALA . 15528 1 18 . TYR . 15528 1 19 . THR . 15528 1 20 . GLU . 15528 1 21 . GLY . 15528 1 22 . PRO . 15528 1 23 . PRO . 15528 1 24 . GLN . 15528 1 25 . PRO . 15528 1 26 . LEU . 15528 1 27 . SER . 15528 1 28 . ALA . 15528 1 29 . GLU . 15528 1 30 . GLU . 15528 1 31 . LYS . 15528 1 32 . LYS . 15528 1 33 . GLU . 15528 1 34 . ILE . 15528 1 35 . ASP . 15528 1 36 . LYS . 15528 1 37 . ARG . 15528 1 38 . SER . 15528 1 39 . VAL . 15528 1 40 . TYR . 15528 1 41 . VAL . 15528 1 42 . GLY . 15528 1 43 . ASN . 15528 1 44 . VAL . 15528 1 45 . ASP . 15528 1 46 . TYR . 15528 1 47 . GLY . 15528 1 48 . SER . 15528 1 49 . THR . 15528 1 50 . ALA . 15528 1 51 . GLN . 15528 1 52 . ASP . 15528 1 53 . LEU . 15528 1 54 . GLU . 15528 1 55 . ALA . 15528 1 56 . HIS . 15528 1 57 . PHE . 15528 1 58 . SER . 15528 1 59 . SER . 15528 1 60 . CYS . 15528 1 61 . GLY . 15528 1 62 . SER . 15528 1 63 . ILE . 15528 1 64 . ASN . 15528 1 65 . ARG . 15528 1 66 . ILE . 15528 1 67 . THR . 15528 1 68 . ILE . 15528 1 69 . LEU . 15528 1 70 . CYS . 15528 1 71 . ASP . 15528 1 72 . LYS . 15528 1 73 . PHE . 15528 1 74 . SER . 15528 1 75 . GLY . 15528 1 76 . HIS . 15528 1 77 . PRO . 15528 1 78 . LYS . 15528 1 79 . GLY . 15528 1 80 . TYR . 15528 1 81 . ALA . 15528 1 82 . TYR . 15528 1 83 . ILE . 15528 1 84 . GLU . 15528 1 85 . PHE . 15528 1 86 . ALA . 15528 1 87 . GLU . 15528 1 88 . ARG . 15528 1 89 . ASN . 15528 1 90 . SER . 15528 1 91 . VAL . 15528 1 92 . ASP . 15528 1 93 . ALA . 15528 1 94 . ALA . 15528 1 95 . VAL . 15528 1 96 . ALA . 15528 1 97 . MET . 15528 1 98 . ASP . 15528 1 99 . GLU . 15528 1 100 . THR . 15528 1 101 . VAL . 15528 1 102 . PHE . 15528 1 103 . ARG . 15528 1 104 . GLY . 15528 1 105 . ARG . 15528 1 106 . THR . 15528 1 107 . ILE . 15528 1 108 . LYS . 15528 1 109 . VAL . 15528 1 110 . LEU . 15528 1 111 . PRO . 15528 1 112 . LYS . 15528 1 113 . ARG . 15528 1 114 . THR . 15528 1 115 . ASN . 15528 1 116 . MET . 15528 1 117 . PRO . 15528 1 118 . GLY . 15528 1 119 . ILE . 15528 1 120 . SER . 15528 1 121 . SER . 15528 1 122 . THR . 15528 1 123 . ASP . 15528 1 124 . ARG . 15528 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 . ALA 1 1 15528 1 . ILE 2 2 15528 1 . ALA 3 3 15528 1 . PRO 4 4 15528 1 . CYS 5 5 15528 1 . MET 6 6 15528 1 . GLN 7 7 15528 1 . THR 8 8 15528 1 . THR 9 9 15528 1 . HIS 10 10 15528 1 . SER 11 11 15528 1 . LYS 12 12 15528 1 . MET 13 13 15528 1 . THR 14 14 15528 1 . ALA 15 15 15528 1 . GLY 16 16 15528 1 . ALA 17 17 15528 1 . TYR 18 18 15528 1 . THR 19 19 15528 1 . GLU 20 20 15528 1 . GLY 21 21 15528 1 . PRO 22 22 15528 1 . PRO 23 23 15528 1 . GLN 24 24 15528 1 . PRO 25 25 15528 1 . LEU 26 26 15528 1 . SER 27 27 15528 1 . ALA 28 28 15528 1 . GLU 29 29 15528 1 . GLU 30 30 15528 1 . LYS 31 31 15528 1 . LYS 32 32 15528 1 . GLU 33 33 15528 1 . ILE 34 34 15528 1 . ASP 35 35 15528 1 . LYS 36 36 15528 1 . ARG 37 37 15528 1 . SER 38 38 15528 1 . VAL 39 39 15528 1 . TYR 40 40 15528 1 . VAL 41 41 15528 1 . GLY 42 42 15528 1 . ASN 43 43 15528 1 . VAL 44 44 15528 1 . ASP 45 45 15528 1 . TYR 46 46 15528 1 . GLY 47 47 15528 1 . SER 48 48 15528 1 . THR 49 49 15528 1 . ALA 50 50 15528 1 . GLN 51 51 15528 1 . ASP 52 52 15528 1 . LEU 53 53 15528 1 . GLU 54 54 15528 1 . ALA 55 55 15528 1 . HIS 56 56 15528 1 . PHE 57 57 15528 1 . SER 58 58 15528 1 . SER 59 59 15528 1 . CYS 60 60 15528 1 . GLY 61 61 15528 1 . SER 62 62 15528 1 . ILE 63 63 15528 1 . ASN 64 64 15528 1 . ARG 65 65 15528 1 . ILE 66 66 15528 1 . THR 67 67 15528 1 . ILE 68 68 15528 1 . LEU 69 69 15528 1 . CYS 70 70 15528 1 . ASP 71 71 15528 1 . LYS 72 72 15528 1 . PHE 73 73 15528 1 . SER 74 74 15528 1 . GLY 75 75 15528 1 . HIS 76 76 15528 1 . PRO 77 77 15528 1 . LYS 78 78 15528 1 . GLY 79 79 15528 1 . TYR 80 80 15528 1 . ALA 81 81 15528 1 . TYR 82 82 15528 1 . ILE 83 83 15528 1 . GLU 84 84 15528 1 . PHE 85 85 15528 1 . ALA 86 86 15528 1 . GLU 87 87 15528 1 . ARG 88 88 15528 1 . ASN 89 89 15528 1 . SER 90 90 15528 1 . VAL 91 91 15528 1 . ASP 92 92 15528 1 . ALA 93 93 15528 1 . ALA 94 94 15528 1 . VAL 95 95 15528 1 . ALA 96 96 15528 1 . MET 97 97 15528 1 . ASP 98 98 15528 1 . GLU 99 99 15528 1 . THR 100 100 15528 1 . VAL 101 101 15528 1 . PHE 102 102 15528 1 . ARG 103 103 15528 1 . GLY 104 104 15528 1 . ARG 105 105 15528 1 . THR 106 106 15528 1 . ILE 107 107 15528 1 . LYS 108 108 15528 1 . VAL 109 109 15528 1 . LEU 110 110 15528 1 . PRO 111 111 15528 1 . LYS 112 112 15528 1 . ARG 113 113 15528 1 . THR 114 114 15528 1 . ASN 115 115 15528 1 . MET 116 116 15528 1 . PRO 117 117 15528 1 . GLY 118 118 15528 1 . ILE 119 119 15528 1 . SER 120 120 15528 1 . SER 121 121 15528 1 . THR 122 122 15528 1 . ASP 123 123 15528 1 . ARG 124 124 15528 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 15528 _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 $ePABP2-trp . 8355 organism . 'Xenopus Laevis' 'African clawed frog' . . Eukaryota Metazoa Xenopus Laevis . . . . . . . . . . . . . . . . . . . . . 15528 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 15528 _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 $ePABP2-trp . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . plasmid . . 'PVP 56K' . . . . . . 15528 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15528 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM sodium acetate, 100 mM NaCl,90% H2O, 10% D2O,1.0 mM 13,15N-ePABP2-trp' _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 ePABP2-trp '[U-100% 13C; U-100% 15N]' . . 1 $ePABP2-trp . . 1 . . mM . . . . 15528 1 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15528 1 3 NaAc 'natural abundance' . . . . . . 10 . . mM . . . . 15528 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15528 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM sodium acetate, 100 mM NaCl,90% H2O,10% D2O,0.5 mM 13C,15N-ePABP2-trp, 0.5 mM Unlabeled ePABP2-trp' _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 ePABP2-trp '[U-100% 13C; U-100% 15N]' . . 1 $ePABP2-trp . . 0.5 . . mM . . . . 15528 2 2 ePABP2-trp 'natural abundance' . . 1 $ePABP2-trp . . 0.5 . . mM . . . . 15528 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15528 2 4 NaAc 'natural abundance' . . . . . . 10 . . mM . . . . 15528 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15528 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '5% PEG, 10 mM sodium acetate, 100 mM NaCl, 90% H2O, 10% D2O, 0.5 mM 15N-ePABP2-trp' _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 ePABP2-trp '[U-100% 15N]' . . 1 $ePABP2-trp . . 0.5 . . mM . . . . 15528 3 2 PEG 'natural abundance' . . . . . . 5 . . % . . . . 15528 3 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15528 3 4 NaAc 'natural abundance' . . . . . . 10 . . mM . . . . 15528 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15528 _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' 100 . mM 15528 1 pH 5.0 . pH 15528 1 pressure 1 . atm 15528 1 temperature 308 . K 15528 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 15528 _Sample_condition_list.ID 2 _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' 100 . mM 15528 2 pH 5.0 . pH 15528 2 pressure 1 . atm 15528 2 temperature 302 . K 15528 2 stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 15528 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.17.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . 15528 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15528 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 15528 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 15528 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15528 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 15528 _Software.ID 3 _Software.Name NMRPipe _Software.Version 97.027.12.56 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delagio,F. et al.' . . 15528 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15528 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15528 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Goddard,T.D. and Kneller,D.G.' . . 15528 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15528 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 15528 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels,C. et al' . . 15528 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15528 5 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 15528 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert,P. et al' . . 15528 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 15528 6 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 15528 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15528 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15528 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_900 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 900 _NMR_spectrometer_list.Entry_ID 15528 _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 DMX . 750 . . . 15528 1 2 spectrometer_2 Varian INOVA . 600 . . . 15528 1 3 spectrometer_3 Varian INOVA . 900 . . . 15528 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 15528 _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 1H,15N-HSQC yes 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15528 1 2 1H,13C-HSQC yes 2 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15528 1 3 HNCACB yes 3 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15528 1 4 HCCONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15528 1 5 CBCACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15528 1 6 CCONH yes 4 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15528 1 7 HCCHTOCSY yes 5 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15528 1 8 HBACONH yes 6 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15528 1 9 '13C-EDITED 1H,1H-NOESY (aliph)' yes 7 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15528 1 10 '15N-EDITED 1H,1H-NOESY' yes 8 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15528 1 11 '13C,15N filtered, 13C EDITED 1H,1H-NOESY' yes 9 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15528 1 12 '15N IPAP HSQC' yes 10 . . . . . . . . . 3 $sample_3 anisotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15528 1 13 '13C-EDITED 1H,1H-NOESY (arom)' yes 11 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15528 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 15528 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H,15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/n15hsqc.fid/' . . . . . . . 15528 1 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/n15hsqc.fid/' . . . . . . . 15528 1 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/n15hsqc.fid/' . . . . . . . 15528 1 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/n15hsqc.fid/' . . . . . . . 15528 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 15528 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 1H,13C-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/c13hsqc.fid/' . . . . . . . 15528 2 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/c13hsqc.fid/' . . . . . . . 15528 2 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/c13hsqc.fid/' . . . . . . . 15528 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 15528 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/hncacb.fid/' . . . . . . . 15528 3 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/hncacb.fid/' . . . . . . . 15528 3 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/hncacb.fid/' . . . . . . . 15528 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 15528 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/cconh.fid/' . . . . . . . 15528 4 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/cconh.fid/' . . . . . . . 15528 4 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/cconh.fid/' . . . . . . . 15528 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 15528 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCHTOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/hcch-tocsy.fid/' . . . . . . . 15528 5 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/hcch-tocsy.fid/' . . . . . . . 15528 5 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/hcch-tocsy.fid/' . . . . . . . 15528 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 15528 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HBACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/hbaconh.fid/' . . . . . . . 15528 6 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/hbaconh.fid/' . . . . . . . 15528 6 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/hbaconh.fid/' . . . . . . . 15528 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 15528 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '13C-EDITED 1H,1H-NOESY (aliph)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/c13noe.fid/' . . . . . . . 15528 7 c13noe.list 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/' . . . . . . . 15528 7 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/c13noe.fid/' . . . . . . . 15528 7 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/c13noe.fid/' . . . . . . . 15528 7 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/c13noe.fid/' . . . . . . . 15528 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 15528 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '15N-EDITED 1H,1H-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/n15noe.fid/' . . . . . . . 15528 8 n15noe.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/' . . . . . . . 15528 8 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/n15noe.fid/' . . . . . . . 15528 8 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/n15noe.fid/' . . . . . . . 15528 8 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/n15noe.fid/' . . . . . . . 15528 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 15528 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '13C,15N filtered, 13C EDITED 1H,1H-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/c13filt.fid/' . . . . . . . 15528 9 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/c13filt.fid/' . . . . . . . 15528 9 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/c13filt.fid/' . . . . . . . 15528 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 15528 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '15N IPAP HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/ipap_anisotropic.fid/' . . . . . . . 15528 10 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/ipap_anisotropic.fid/' . . . . . . . 15528 10 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/ipap_anisotropic.fid/' . . . . . . . 15528 10 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/ipap_anisotropic.fid/' . . . . . . . 15528 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 15528 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '13C-EDITED 1H,1H-NOESY (arom)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID c13noe_arom.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/' . . . . . . . 15528 11 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/c13noe_arom.fid/' . . . . . . . 15528 11 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/c13noe_arom.fid/' . . . . . . . 15528 11 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15528/timedomain_data/c13noe_arom.fid/' . . . . . . . 15528 11 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15528 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 0.00 . indirect 0.251449530 . . . 1 $citations . . 1 $citations 15528 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $citations . . 1 $citations 15528 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $citations . . 1 $citations 15528 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15528 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 3 HNCACB . . . 15528 1 5 CBCACONH . . . 15528 1 9 '13C-EDITED 1H,1H-NOESY (aliph)' . . . 15528 1 10 '15N-EDITED 1H,1H-NOESY' . . . 15528 1 13 '13C-EDITED 1H,1H-NOESY (arom)' . . . 15528 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 ALA HA H 1 4.178 0.05 . 1 . . . . 1 A HA . 15528 1 2 . 1 1 1 1 ALA HB1 H 1 1.557 0.05 . 1 . . . . 1 A QB . 15528 1 3 . 1 1 1 1 ALA HB2 H 1 1.557 0.05 . 1 . . . . 1 A QB . 15528 1 4 . 1 1 1 1 ALA HB3 H 1 1.557 0.05 . 1 . . . . 1 A QB . 15528 1 5 . 1 1 1 1 ALA C C 13 173.675 0.15 . 1 . . . . 1 A C . 15528 1 6 . 1 1 1 1 ALA CA C 13 51.784 0.15 . 1 . . . . 1 A CA . 15528 1 7 . 1 1 1 1 ALA CB C 13 19.590 0.15 . 1 . . . . 1 A CB . 15528 1 8 . 1 1 2 2 ILE H H 1 8.420 0.05 . 1 . . . . 2 I H . 15528 1 9 . 1 1 2 2 ILE HA H 1 4.219 0.05 . 1 . . . . 2 I HA . 15528 1 10 . 1 1 2 2 ILE HB H 1 1.870 0.05 . 1 . . . . 2 I HB . 15528 1 11 . 1 1 2 2 ILE C C 13 175.424 0.15 . 1 . . . . 2 I C . 15528 1 12 . 1 1 2 2 ILE CA C 13 61.022 0.15 . 1 . . . . 2 I CA . 15528 1 13 . 1 1 2 2 ILE CB C 13 38.918 0.15 . 1 . . . . 2 I CB . 15528 1 14 . 1 1 2 2 ILE N N 15 120.314 0.15 . 1 . . . . 2 I N . 15528 1 15 . 1 1 3 3 ALA H H 1 8.374 0.05 . 1 . . . . 3 A H . 15528 1 16 . 1 1 3 3 ALA CA C 13 50.509 0.15 . 1 . . . . 3 A CA . 15528 1 17 . 1 1 3 3 ALA CB C 13 18.608 0.15 . 1 . . . . 3 A CB . 15528 1 18 . 1 1 3 3 ALA N N 15 129.874 0.15 . 1 . . . . 3 A N . 15528 1 19 . 1 1 4 4 PRO HA H 1 4.446 0.05 . 1 . . . . 4 P HA . 15528 1 20 . 1 1 4 4 PRO HB2 H 1 1.929 0.05 . 2 . . . . 4 P HB2 . 15528 1 21 . 1 1 4 4 PRO HB3 H 1 2.349 0.05 . 2 . . . . 4 P HB3 . 15528 1 22 . 1 1 4 4 PRO C C 13 176.949 0.15 . 1 . . . . 4 P C . 15528 1 23 . 1 1 4 4 PRO CA C 13 63.456 0.15 . 1 . . . . 4 P CA . 15528 1 24 . 1 1 4 4 PRO CB C 13 32.203 0.15 . 1 . . . . 4 P CB . 15528 1 25 . 1 1 5 5 CYS H H 1 8.347 0.05 . 1 . . . . 5 C H . 15528 1 26 . 1 1 5 5 CYS HA H 1 4.492 0.05 . 1 . . . . 5 C HA . 15528 1 27 . 1 1 5 5 CYS HB2 H 1 3.000 0.05 . 1 . . . . 5 C HB2 . 15528 1 28 . 1 1 5 5 CYS C C 13 174.805 0.15 . 1 . . . . 5 C C . 15528 1 29 . 1 1 5 5 CYS CA C 13 58.495 0.15 . 1 . . . . 5 C CA . 15528 1 30 . 1 1 5 5 CYS CB C 13 27.957 0.15 . 1 . . . . 5 C CB . 15528 1 31 . 1 1 5 5 CYS N N 15 118.477 0.15 . 1 . . . . 5 C N . 15528 1 32 . 1 1 6 6 MET H H 1 8.421 0.05 . 1 . . . . 6 M H . 15528 1 33 . 1 1 6 6 MET HA H 1 4.534 0.05 . 1 . . . . 6 M HA . 15528 1 34 . 1 1 6 6 MET HB2 H 1 2.101 0.05 . 1 . . . . 6 M HB2 . 15528 1 35 . 1 1 6 6 MET C C 13 176.132 0.15 . 1 . . . . 6 M C . 15528 1 36 . 1 1 6 6 MET CA C 13 55.629 0.15 . 1 . . . . 6 M CA . 15528 1 37 . 1 1 6 6 MET CB C 13 33.048 0.15 . 1 . . . . 6 M CB . 15528 1 38 . 1 1 6 6 MET N N 15 122.952 0.15 . 1 . . . . 6 M N . 15528 1 39 . 1 1 7 7 GLN H H 1 8.313 0.05 . 1 . . . . 7 Q H . 15528 1 40 . 1 1 7 7 GLN HA H 1 4.435 0.05 . 1 . . . . 7 Q HA . 15528 1 41 . 1 1 7 7 GLN HB2 H 1 2.129 0.05 . 1 . . . . 7 Q HB2 . 15528 1 42 . 1 1 7 7 GLN C C 13 176.128 0.15 . 1 . . . . 7 Q C . 15528 1 43 . 1 1 7 7 GLN CA C 13 56.109 0.15 . 1 . . . . 7 Q CA . 15528 1 44 . 1 1 7 7 GLN CB C 13 29.591 0.15 . 1 . . . . 7 Q CB . 15528 1 45 . 1 1 7 7 GLN N N 15 121.379 0.15 . 1 . . . . 7 Q N . 15528 1 46 . 1 1 8 8 THR H H 1 8.195 0.05 . 1 . . . . 8 T H . 15528 1 47 . 1 1 8 8 THR HA H 1 4.406 0.05 . 1 . . . . 8 T HA . 15528 1 48 . 1 1 8 8 THR HB H 1 4.264 0.05 . 1 . . . . 8 T HB . 15528 1 49 . 1 1 8 8 THR C C 13 174.739 0.15 . 1 . . . . 8 T C . 15528 1 50 . 1 1 8 8 THR CA C 13 61.856 0.15 . 1 . . . . 8 T CA . 15528 1 51 . 1 1 8 8 THR CB C 13 69.854 0.15 . 1 . . . . 8 T CB . 15528 1 52 . 1 1 8 8 THR N N 15 115.096 0.15 . 1 . . . . 8 T N . 15528 1 53 . 1 1 9 9 THR H H 1 8.081 0.05 . 1 . . . . 9 T H . 15528 1 54 . 1 1 9 9 THR HA H 1 4.335 0.05 . 1 . . . . 9 T HA . 15528 1 55 . 1 1 9 9 THR HB H 1 4.232 0.05 . 1 . . . . 9 T HB . 15528 1 56 . 1 1 9 9 THR C C 13 174.407 0.15 . 1 . . . . 9 T C . 15528 1 57 . 1 1 9 9 THR CA C 13 61.896 0.15 . 1 . . . . 9 T CA . 15528 1 58 . 1 1 9 9 THR CB C 13 69.811 0.15 . 1 . . . . 9 T CB . 15528 1 59 . 1 1 9 9 THR N N 15 115.837 0.15 . 1 . . . . 9 T N . 15528 1 60 . 1 1 10 10 HIS H H 1 8.477 0.05 . 1 . . . . 10 H H . 15528 1 61 . 1 1 10 10 HIS HA H 1 4.788 0.05 . 2 . . . . 10 H HA . 15528 1 62 . 1 1 10 10 HIS HB2 H 1 3.326 0.05 . 2 . . . . 10 H HB2 . 15528 1 63 . 1 1 10 10 HIS HB3 H 1 3.203 0.05 . 1 . . . . 10 H HB3 . 15528 1 64 . 1 1 10 10 HIS C C 13 174.571 0.15 . 1 . . . . 10 H C . 15528 1 65 . 1 1 10 10 HIS CA C 13 55.477 0.15 . 1 . . . . 10 H CA . 15528 1 66 . 1 1 10 10 HIS CB C 13 29.291 0.15 . 1 . . . . 10 H CB . 15528 1 67 . 1 1 10 10 HIS N N 15 120.606 0.15 . 1 . . . . 10 H N . 15528 1 68 . 1 1 11 11 SER H H 1 8.306 0.05 . 1 . . . . 11 S H . 15528 1 69 . 1 1 11 11 SER HA H 1 4.448 0.05 . 1 . . . . 11 S HA . 15528 1 70 . 1 1 11 11 SER HB2 H 1 3.902 0.05 . 1 . . . . 11 S HB2 . 15528 1 71 . 1 1 11 11 SER C C 13 174.512 0.15 . 1 . . . . 11 S C . 15528 1 72 . 1 1 11 11 SER CA C 13 58.557 0.15 . 1 . . . . 11 S CA . 15528 1 73 . 1 1 11 11 SER CB C 13 63.943 0.15 . 1 . . . . 11 S CB . 15528 1 74 . 1 1 11 11 SER N N 15 117.043 0.15 . 1 . . . . 11 S N . 15528 1 75 . 1 1 12 12 LYS H H 1 8.402 0.05 . 1 . . . . 12 K H . 15528 1 76 . 1 1 12 12 LYS HA H 1 4.359 0.05 . 1 . . . . 12 K HA . 15528 1 77 . 1 1 12 12 LYS HB2 H 1 1.847 0.05 . 1 . . . . 12 K HB2 . 15528 1 78 . 1 1 12 12 LYS HG2 H 1 1.450 0.05 . 1 . . . . 12 K HG2 . 15528 1 79 . 1 1 12 12 LYS C C 13 176.592 0.15 . 1 . . . . 12 K C . 15528 1 80 . 1 1 12 12 LYS CA C 13 56.634 0.15 . 1 . . . . 12 K CA . 15528 1 81 . 1 1 12 12 LYS CB C 13 33.127 0.15 . 1 . . . . 12 K CB . 15528 1 82 . 1 1 12 12 LYS N N 15 123.023 0.15 . 1 . . . . 12 K N . 15528 1 83 . 1 1 13 13 MET H H 1 8.343 0.05 . 1 . . . . 13 M H . 15528 1 84 . 1 1 13 13 MET HA H 1 4.530 0.05 . 1 . . . . 13 M HA . 15528 1 85 . 1 1 13 13 MET HB2 H 1 2.062 0.05 . 1 . . . . 13 M HB2 . 15528 1 86 . 1 1 13 13 MET HG2 H 1 2.601 0.05 . 2 . . . . 13 M QG . 15528 1 87 . 1 1 13 13 MET HG3 H 1 2.601 0.05 . 2 . . . . 13 M QG . 15528 1 88 . 1 1 13 13 MET C C 13 176.373 0.15 . 1 . . . . 13 M C . 15528 1 89 . 1 1 13 13 MET CA C 13 55.680 0.15 . 1 . . . . 13 M CA . 15528 1 90 . 1 1 13 13 MET CB C 13 32.925 0.15 . 1 . . . . 13 M CB . 15528 1 91 . 1 1 13 13 MET N N 15 121.294 0.15 . 1 . . . . 13 M N . 15528 1 92 . 1 1 14 14 THR H H 1 8.068 0.05 . 1 . . . . 14 T H . 15528 1 93 . 1 1 14 14 THR HA H 1 4.333 0.05 . 1 . . . . 14 T HA . 15528 1 94 . 1 1 14 14 THR HG21 H 1 1.221 0.05 . 1 . . . . 14 T QG2 . 15528 1 95 . 1 1 14 14 THR HG22 H 1 1.221 0.05 . 1 . . . . 14 T QG2 . 15528 1 96 . 1 1 14 14 THR HG23 H 1 1.221 0.05 . 1 . . . . 14 T QG2 . 15528 1 97 . 1 1 14 14 THR C C 13 174.246 0.15 . 1 . . . . 14 T C . 15528 1 98 . 1 1 14 14 THR CA C 13 61.770 0.15 . 1 . . . . 14 T CA . 15528 1 99 . 1 1 14 14 THR CB C 13 69.894 0.15 . 1 . . . . 14 T CB . 15528 1 100 . 1 1 14 14 THR N N 15 115.254 0.15 . 1 . . . . 14 T N . 15528 1 101 . 1 1 15 15 ALA H H 1 8.289 0.05 . 1 . . . . 15 A H . 15528 1 102 . 1 1 15 15 ALA HA H 1 4.344 0.05 . 1 . . . . 15 A HA . 15528 1 103 . 1 1 15 15 ALA HB1 H 1 1.450 0.05 . 1 . . . . 15 A QB . 15528 1 104 . 1 1 15 15 ALA HB2 H 1 1.450 0.05 . 1 . . . . 15 A QB . 15528 1 105 . 1 1 15 15 ALA HB3 H 1 1.450 0.05 . 1 . . . . 15 A QB . 15528 1 106 . 1 1 15 15 ALA C C 13 178.080 0.15 . 1 . . . . 15 A C . 15528 1 107 . 1 1 15 15 ALA CA C 13 52.779 0.15 . 1 . . . . 15 A CA . 15528 1 108 . 1 1 15 15 ALA CB C 13 19.286 0.15 . 1 . . . . 15 A CB . 15528 1 109 . 1 1 15 15 ALA N N 15 126.372 0.15 . 1 . . . . 15 A N . 15528 1 110 . 1 1 16 16 GLY H H 1 8.291 0.05 . 1 . . . . 16 G H . 15528 1 111 . 1 1 16 16 GLY HA2 H 1 3.913 0.05 . 1 . . . . 16 G HA2 . 15528 1 112 . 1 1 16 16 GLY C C 13 173.788 0.15 . 1 . . . . 16 G C . 15528 1 113 . 1 1 16 16 GLY CA C 13 45.298 0.15 . 1 . . . . 16 G CA . 15528 1 114 . 1 1 16 16 GLY N N 15 108.095 0.15 . 1 . . . . 16 G N . 15528 1 115 . 1 1 17 17 ALA H H 1 8.000 0.05 . 1 . . . . 17 A H . 15528 1 116 . 1 1 17 17 ALA HA H 1 4.292 0.05 . 1 . . . . 17 A HA . 15528 1 117 . 1 1 17 17 ALA HB1 H 1 1.293 0.05 . 1 . . . . 17 A QB . 15528 1 118 . 1 1 17 17 ALA HB2 H 1 1.293 0.05 . 1 . . . . 17 A QB . 15528 1 119 . 1 1 17 17 ALA HB3 H 1 1.293 0.05 . 1 . . . . 17 A QB . 15528 1 120 . 1 1 17 17 ALA C C 13 177.366 0.15 . 1 . . . . 17 A C . 15528 1 121 . 1 1 17 17 ALA CA C 13 52.518 0.15 . 1 . . . . 17 A CA . 15528 1 122 . 1 1 17 17 ALA CB C 13 19.577 0.15 . 1 . . . . 17 A CB . 15528 1 123 . 1 1 17 17 ALA N N 15 123.370 0.15 . 1 . . . . 17 A N . 15528 1 124 . 1 1 18 18 TYR H H 1 8.135 0.05 . 1 . . . . 18 Y H . 15528 1 125 . 1 1 18 18 TYR HA H 1 4.640 0.05 . 1 . . . . 18 Y HA . 15528 1 126 . 1 1 18 18 TYR HB2 H 1 3.059 0.05 . 2 . . . . 18 Y HB2 . 15528 1 127 . 1 1 18 18 TYR HB3 H 1 2.968 0.05 . 2 . . . . 18 Y HB3 . 15528 1 128 . 1 1 18 18 TYR HD2 H 1 7.097 0.05 . 1 . . . . 18 Y HD2 . 15528 1 129 . 1 1 18 18 TYR C C 13 176.031 0.15 . 1 . . . . 18 Y C . 15528 1 130 . 1 1 18 18 TYR CA C 13 57.973 0.15 . 1 . . . . 18 Y CA . 15528 1 131 . 1 1 18 18 TYR CB C 13 38.661 0.15 . 1 . . . . 18 Y CB . 15528 1 132 . 1 1 18 18 TYR N N 15 119.212 0.15 . 1 . . . . 18 Y N . 15528 1 133 . 1 1 19 19 THR H H 1 7.912 0.05 . 1 . . . . 19 T H . 15528 1 134 . 1 1 19 19 THR HA H 1 4.267 0.05 . 1 . . . . 19 T HA . 15528 1 135 . 1 1 19 19 THR HB H 1 4.037 0.05 . 1 . . . . 19 T HB . 15528 1 136 . 1 1 19 19 THR HG21 H 1 1.135 0.05 . 1 . . . . 19 T QG2 . 15528 1 137 . 1 1 19 19 THR HG22 H 1 1.135 0.05 . 1 . . . . 19 T QG2 . 15528 1 138 . 1 1 19 19 THR HG23 H 1 1.135 0.05 . 1 . . . . 19 T QG2 . 15528 1 139 . 1 1 19 19 THR C C 13 173.995 0.15 . 1 . . . . 19 T C . 15528 1 140 . 1 1 19 19 THR CA C 13 61.848 0.15 . 1 . . . . 19 T CA . 15528 1 141 . 1 1 19 19 THR CB C 13 69.756 0.15 . 1 . . . . 19 T CB . 15528 1 142 . 1 1 19 19 THR N N 15 115.764 0.15 . 1 . . . . 19 T N . 15528 1 143 . 1 1 20 20 GLU H H 1 8.077 0.05 . 1 . . . . 20 E H . 15528 1 144 . 1 1 20 20 GLU HA H 1 4.301 0.05 . 1 . . . . 20 E HA . 15528 1 145 . 1 1 20 20 GLU HB2 H 1 2.071 0.05 . 2 . . . . 20 E HB2 . 15528 1 146 . 1 1 20 20 GLU HB3 H 1 1.903 0.05 . 2 . . . . 20 E HB3 . 15528 1 147 . 1 1 20 20 GLU HG2 H 1 2.259 0.05 . 1 . . . . 20 E HG2 . 15528 1 148 . 1 1 20 20 GLU C C 13 176.128 0.15 . 1 . . . . 20 E C . 15528 1 149 . 1 1 20 20 GLU CA C 13 56.312 0.15 . 1 . . . . 20 E CA . 15528 1 150 . 1 1 20 20 GLU CB C 13 30.423 0.15 . 1 . . . . 20 E CB . 15528 1 151 . 1 1 20 20 GLU CG C 13 36.037 0.15 . 1 . . . . 20 E CG . 15528 1 152 . 1 1 20 20 GLU N N 15 122.553 0.15 . 1 . . . . 20 E N . 15528 1 153 . 1 1 21 21 GLY H H 1 7.966 0.05 . 1 . . . . 21 G H . 15528 1 154 . 1 1 21 21 GLY HA2 H 1 3.903 0.05 . 1 . . . . 21 G HA2 . 15528 1 155 . 1 1 21 21 GLY CA C 13 44.257 0.15 . 1 . . . . 21 G CA . 15528 1 156 . 1 1 21 21 GLY N N 15 109.544 0.15 . 1 . . . . 21 G N . 15528 1 157 . 1 1 22 22 PRO HA H 1 4.232 0.05 . 2 . . . . 22 P HA . 15528 1 158 . 1 1 22 22 PRO HB2 H 1 1.938 0.05 . 2 . . . . 22 P HB2 . 15528 1 159 . 1 1 22 22 PRO HB3 H 1 1.750 0.05 . 2 . . . . 22 P HB3 . 15528 1 160 . 1 1 22 22 PRO HD2 H 1 3.084 0.05 . 2 . . . . 22 P HD2 . 15528 1 161 . 1 1 22 22 PRO HD3 H 1 3.400 0.05 . 2 . . . . 22 P HD3 . 15528 1 162 . 1 1 22 22 PRO HG2 H 1 1.663 0.05 . 2 . . . . 22 P HG2 . 15528 1 163 . 1 1 22 22 PRO HG3 H 1 1.878 0.05 . 1 . . . . 22 P HG3 . 15528 1 164 . 1 1 22 22 PRO CA C 13 61.109 0.15 . 1 . . . . 22 P CA . 15528 1 165 . 1 1 22 22 PRO CB C 13 30.711 0.15 . 1 . . . . 22 P CB . 15528 1 166 . 1 1 22 22 PRO CD C 13 49.305 0.15 . 1 . . . . 22 P CD . 15528 1 167 . 1 1 22 22 PRO CG C 13 27.118 0.15 . 1 . . . . 22 P CG . 15528 1 168 . 1 1 23 23 PRO HA H 1 4.363 0.05 . 1 . . . . 23 P HA . 15528 1 169 . 1 1 23 23 PRO HB2 H 1 1.842 0.05 . 2 . . . . 23 P HB2 . 15528 1 170 . 1 1 23 23 PRO HB3 H 1 2.193 0.05 . 2 . . . . 23 P HB3 . 15528 1 171 . 1 1 23 23 PRO HD2 H 1 3.407 0.05 . 2 . . . . 23 P HD2 . 15528 1 172 . 1 1 23 23 PRO HD3 H 1 3.419 0.05 . 2 . . . . 23 P HD3 . 15528 1 173 . 1 1 23 23 PRO HG2 H 1 1.879 0.05 . 1 . . . . 23 P HG2 . 15528 1 174 . 1 1 23 23 PRO C C 13 176.567 0.15 . 1 . . . . 23 P C . 15528 1 175 . 1 1 23 23 PRO CA C 13 62.733 0.15 . 1 . . . . 23 P CA . 15528 1 176 . 1 1 23 23 PRO CB C 13 32.048 0.15 . 1 . . . . 23 P CB . 15528 1 177 . 1 1 23 23 PRO CD C 13 50.256 0.15 . 1 . . . . 23 P CD . 15528 1 178 . 1 1 23 23 PRO CG C 13 27.293 0.15 . 1 . . . . 23 P CG . 15528 1 179 . 1 1 24 24 GLN H H 1 8.286 0.05 . 1 . . . . 24 Q H . 15528 1 180 . 1 1 24 24 GLN HA H 1 4.479 0.05 . 1 . . . . 24 Q HA . 15528 1 181 . 1 1 24 24 GLN HB2 H 1 2.053 0.05 . 2 . . . . 24 Q HB2 . 15528 1 182 . 1 1 24 24 GLN HB3 H 1 1.873 0.05 . 2 . . . . 24 Q HB3 . 15528 1 183 . 1 1 24 24 GLN HE21 H 1 7.485 0.05 . 2 . . . . 24 Q HE21 . 15528 1 184 . 1 1 24 24 GLN HE22 H 1 6.787 0.05 . 2 . . . . 24 Q HE22 . 15528 1 185 . 1 1 24 24 GLN HG2 H 1 2.388 0.05 . 1 . . . . 24 Q HG2 . 15528 1 186 . 1 1 24 24 GLN CA C 13 53.763 0.15 . 1 . . . . 24 Q CA . 15528 1 187 . 1 1 24 24 GLN CB C 13 28.800 0.15 . 1 . . . . 24 Q CB . 15528 1 188 . 1 1 24 24 GLN CG C 13 33.561 0.15 . 1 . . . . 24 Q CG . 15528 1 189 . 1 1 24 24 GLN N N 15 121.215 0.15 . 1 . . . . 24 Q N . 15528 1 190 . 1 1 24 24 GLN NE2 N 15 112.460 0.15 . 1 . . . . 24 Q NE2 . 15528 1 191 . 1 1 25 25 PRO HA H 1 4.389 0.05 . 1 . . . . 25 P HA . 15528 1 192 . 1 1 25 25 PRO HB2 H 1 1.831 0.05 . 2 . . . . 25 P HB2 . 15528 1 193 . 1 1 25 25 PRO HB3 H 1 2.244 0.05 . 2 . . . . 25 P HB3 . 15528 1 194 . 1 1 25 25 PRO HD2 H 1 3.602 0.05 . 2 . . . . 25 P HD2 . 15528 1 195 . 1 1 25 25 PRO HD3 H 1 3.733 0.05 . 2 . . . . 25 P HD3 . 15528 1 196 . 1 1 25 25 PRO HG2 H 1 1.937 0.05 . 2 . . . . 25 P HG2 . 15528 1 197 . 1 1 25 25 PRO HG3 H 1 1.992 0.05 . 2 . . . . 25 P HG3 . 15528 1 198 . 1 1 25 25 PRO C C 13 176.707 0.15 . 1 . . . . 25 P C . 15528 1 199 . 1 1 25 25 PRO CA C 13 62.867 0.15 . 1 . . . . 25 P CA . 15528 1 200 . 1 1 25 25 PRO CB C 13 32.174 0.15 . 1 . . . . 25 P CB . 15528 1 201 . 1 1 25 25 PRO CD C 13 50.542 0.15 . 1 . . . . 25 P CD . 15528 1 202 . 1 1 25 25 PRO CG C 13 27.564 0.15 . 1 . . . . 25 P CG . 15528 1 203 . 1 1 26 26 LEU H H 1 8.244 0.05 . 1 . . . . 26 L H . 15528 1 204 . 1 1 26 26 LEU HA H 1 4.405 0.05 . 1 . . . . 26 L HA . 15528 1 205 . 1 1 26 26 LEU HB2 H 1 1.465 0.05 . 2 . . . . 26 L HB2 . 15528 1 206 . 1 1 26 26 LEU HB3 H 1 1.577 0.05 . 2 . . . . 26 L HB3 . 15528 1 207 . 1 1 26 26 LEU HD11 H 1 0.820 0.05 . 2 . . . . 26 L QD1 . 15528 1 208 . 1 1 26 26 LEU HD12 H 1 0.820 0.05 . 2 . . . . 26 L QD1 . 15528 1 209 . 1 1 26 26 LEU HD13 H 1 0.820 0.05 . 2 . . . . 26 L QD1 . 15528 1 210 . 1 1 26 26 LEU HD21 H 1 0.794 0.05 . 2 . . . . 26 L QD2 . 15528 1 211 . 1 1 26 26 LEU HD22 H 1 0.794 0.05 . 2 . . . . 26 L QD2 . 15528 1 212 . 1 1 26 26 LEU HD23 H 1 0.794 0.05 . 2 . . . . 26 L QD2 . 15528 1 213 . 1 1 26 26 LEU HG H 1 1.704 0.05 . 1 . . . . 26 L HG . 15528 1 214 . 1 1 26 26 LEU C C 13 177.517 0.15 . 1 . . . . 26 L C . 15528 1 215 . 1 1 26 26 LEU CA C 13 54.643 0.15 . 1 . . . . 26 L CA . 15528 1 216 . 1 1 26 26 LEU CB C 13 43.618 0.15 . 1 . . . . 26 L CB . 15528 1 217 . 1 1 26 26 LEU CD1 C 13 25.866 0.15 . 2 . . . . 26 L CD1 . 15528 1 218 . 1 1 26 26 LEU CD2 C 13 23.511 0.15 . 2 . . . . 26 L CD2 . 15528 1 219 . 1 1 26 26 LEU CG C 13 27.066 0.15 . 1 . . . . 26 L CG . 15528 1 220 . 1 1 26 26 LEU N N 15 122.745 0.15 . 1 . . . . 26 L N . 15528 1 221 . 1 1 27 27 SER H H 1 8.758 0.05 . 1 . . . . 27 S H . 15528 1 222 . 1 1 27 27 SER HA H 1 4.474 0.05 . 1 . . . . 27 S HA . 15528 1 223 . 1 1 27 27 SER HB2 H 1 4.033 0.05 . 2 . . . . 27 S HB2 . 15528 1 224 . 1 1 27 27 SER HB3 H 1 4.340 0.05 . 2 . . . . 27 S HB3 . 15528 1 225 . 1 1 27 27 SER C C 13 174.789 0.15 . 1 . . . . 27 S C . 15528 1 226 . 1 1 27 27 SER CA C 13 57.461 0.15 . 1 . . . . 27 S CA . 15528 1 227 . 1 1 27 27 SER CB C 13 65.280 0.15 . 1 . . . . 27 S CB . 15528 1 228 . 1 1 27 27 SER N N 15 117.967 0.15 . 1 . . . . 27 S N . 15528 1 229 . 1 1 28 28 ALA H H 1 8.841 0.05 . 1 . . . . 28 A H . 15528 1 230 . 1 1 28 28 ALA HA H 1 4.037 0.05 . 1 . . . . 28 A HA . 15528 1 231 . 1 1 28 28 ALA HB1 H 1 1.471 0.05 . 1 . . . . 28 A QB . 15528 1 232 . 1 1 28 28 ALA HB2 H 1 1.471 0.05 . 1 . . . . 28 A QB . 15528 1 233 . 1 1 28 28 ALA HB3 H 1 1.471 0.05 . 1 . . . . 28 A QB . 15528 1 234 . 1 1 28 28 ALA CA C 13 55.346 0.15 . 1 . . . . 28 A CA . 15528 1 235 . 1 1 28 28 ALA CB C 13 18.347 0.15 . 1 . . . . 28 A CB . 15528 1 236 . 1 1 28 28 ALA N N 15 124.144 0.15 . 1 . . . . 28 A N . 15528 1 237 . 1 1 29 29 GLU H H 1 8.565 0.05 . 1 . . . . 29 E H . 15528 1 238 . 1 1 29 29 GLU HA H 1 4.026 0.05 . 1 . . . . 29 E HA . 15528 1 239 . 1 1 29 29 GLU HB2 H 1 2.023 0.05 . 1 . . . . 29 E HB2 . 15528 1 240 . 1 1 29 29 GLU HG2 H 1 2.321 0.05 . 2 . . . . 29 E HG2 . 15528 1 241 . 1 1 29 29 GLU HG3 H 1 2.409 0.05 . 2 . . . . 29 E HG3 . 15528 1 242 . 1 1 29 29 GLU C C 13 178.877 0.15 . 1 . . . . 29 E C . 15528 1 243 . 1 1 29 29 GLU CA C 13 59.430 0.15 . 1 . . . . 29 E CA . 15528 1 244 . 1 1 29 29 GLU CB C 13 29.244 0.15 . 1 . . . . 29 E CB . 15528 1 245 . 1 1 29 29 GLU CG C 13 36.375 0.15 . 1 . . . . 29 E CG . 15528 1 246 . 1 1 29 29 GLU N N 15 117.527 0.15 . 1 . . . . 29 E N . 15528 1 247 . 1 1 30 30 GLU H H 1 7.823 0.05 . 1 . . . . 30 E H . 15528 1 248 . 1 1 30 30 GLU HA H 1 4.054 0.05 . 1 . . . . 30 E HA . 15528 1 249 . 1 1 30 30 GLU HB2 H 1 1.967 0.05 . 2 . . . . 30 E HB2 . 15528 1 250 . 1 1 30 30 GLU HB3 H 1 2.202 0.05 . 2 . . . . 30 E HB3 . 15528 1 251 . 1 1 30 30 GLU HG2 H 1 2.319 0.05 . 2 . . . . 30 E HG2 . 15528 1 252 . 1 1 30 30 GLU HG3 H 1 2.281 0.05 . 2 . . . . 30 E HG3 . 15528 1 253 . 1 1 30 30 GLU C C 13 179.191 0.15 . 1 . . . . 30 E C . 15528 1 254 . 1 1 30 30 GLU CA C 13 59.037 0.15 . 1 . . . . 30 E CA . 15528 1 255 . 1 1 30 30 GLU CB C 13 30.102 0.15 . 1 . . . . 30 E CB . 15528 1 256 . 1 1 30 30 GLU CG C 13 36.798 0.15 . 1 . . . . 30 E CG . 15528 1 257 . 1 1 30 30 GLU N N 15 120.773 0.15 . 1 . . . . 30 E N . 15528 1 258 . 1 1 31 31 LYS H H 1 8.246 0.05 . 1 . . . . 31 K H . 15528 1 259 . 1 1 31 31 LYS HA H 1 3.844 0.05 . 1 . . . . 31 K HA . 15528 1 260 . 1 1 31 31 LYS HB2 H 1 1.780 0.05 . 2 . . . . 31 K HB2 . 15528 1 261 . 1 1 31 31 LYS HB3 H 1 1.863 0.05 . 2 . . . . 31 K HB3 . 15528 1 262 . 1 1 31 31 LYS HD3 H 1 1.601 0.05 . 1 . . . . 31 K HD3 . 15528 1 263 . 1 1 31 31 LYS HE2 H 1 2.892 0.05 . 1 . . . . 31 K HE2 . 15528 1 264 . 1 1 31 31 LYS HG2 H 1 1.326 0.05 . 2 . . . . 31 K HG2 . 15528 1 265 . 1 1 31 31 LYS HG3 H 1 1.512 0.05 . 2 . . . . 31 K HG3 . 15528 1 266 . 1 1 31 31 LYS C C 13 177.968 0.15 . 1 . . . . 31 K C . 15528 1 267 . 1 1 31 31 LYS CA C 13 59.889 0.15 . 1 . . . . 31 K CA . 15528 1 268 . 1 1 31 31 LYS CB C 13 32.350 0.15 . 1 . . . . 31 K CB . 15528 1 269 . 1 1 31 31 LYS CD C 13 29.379 0.15 . 1 . . . . 31 K CD . 15528 1 270 . 1 1 31 31 LYS CE C 13 42.083 0.15 . 1 . . . . 31 K CE . 15528 1 271 . 1 1 31 31 LYS CG C 13 25.954 0.15 . 1 . . . . 31 K CG . 15528 1 272 . 1 1 31 31 LYS N N 15 119.315 0.15 . 1 . . . . 31 K N . 15528 1 273 . 1 1 32 32 LYS H H 1 7.698 0.05 . 1 . . . . 32 K H . 15528 1 274 . 1 1 32 32 LYS HA H 1 4.043 0.05 . 1 . . . . 32 K HA . 15528 1 275 . 1 1 32 32 LYS HB3 H 1 1.929 0.05 . 1 . . . . 32 K HB3 . 15528 1 276 . 1 1 32 32 LYS HD2 H 1 1.727 0.05 . 2 . . . . 32 K HD2 . 15528 1 277 . 1 1 32 32 LYS HD3 H 1 1.600 0.05 . 2 . . . . 32 K HD3 . 15528 1 278 . 1 1 32 32 LYS HE2 H 1 2.969 0.05 . 2 . . . . 32 K HE2 . 15528 1 279 . 1 1 32 32 LYS HE3 H 1 2.920 0.05 . 2 . . . . 32 K HE3 . 15528 1 280 . 1 1 32 32 LYS HG2 H 1 1.610 0.05 . 2 . . . . 32 K HG2 . 15528 1 281 . 1 1 32 32 LYS HG3 H 1 1.434 0.05 . 2 . . . . 32 K HG3 . 15528 1 282 . 1 1 32 32 LYS C C 13 178.848 0.15 . 1 . . . . 32 K C . 15528 1 283 . 1 1 32 32 LYS CA C 13 59.479 0.15 . 1 . . . . 32 K CA . 15528 1 284 . 1 1 32 32 LYS CB C 13 32.459 0.15 . 1 . . . . 32 K CB . 15528 1 285 . 1 1 32 32 LYS CD C 13 29.597 0.15 . 1 . . . . 32 K CD . 15528 1 286 . 1 1 32 32 LYS CE C 13 42.085 0.15 . 1 . . . . 32 K CE . 15528 1 287 . 1 1 32 32 LYS CG C 13 25.292 0.15 . 1 . . . . 32 K CG . 15528 1 288 . 1 1 32 32 LYS N N 15 118.195 0.15 . 1 . . . . 32 K N . 15528 1 289 . 1 1 33 33 GLU H H 1 7.512 0.05 . 1 . . . . 33 E H . 15528 1 290 . 1 1 33 33 GLU HA H 1 4.031 0.05 . 1 . . . . 33 E HA . 15528 1 291 . 1 1 33 33 GLU HB2 H 1 2.116 0.05 . 2 . . . . 33 E HB2 . 15528 1 292 . 1 1 33 33 GLU HB3 H 1 2.196 0.05 . 2 . . . . 33 E HB3 . 15528 1 293 . 1 1 33 33 GLU HG2 H 1 2.415 0.05 . 2 . . . . 33 E HG2 . 15528 1 294 . 1 1 33 33 GLU HG3 H 1 2.349 0.05 . 2 . . . . 33 E HG3 . 15528 1 295 . 1 1 33 33 GLU C C 13 178.989 0.15 . 1 . . . . 33 E C . 15528 1 296 . 1 1 33 33 GLU CA C 13 59.157 0.15 . 1 . . . . 33 E CA . 15528 1 297 . 1 1 33 33 GLU CB C 13 29.220 0.15 . 1 . . . . 33 E CB . 15528 1 298 . 1 1 33 33 GLU CG C 13 35.981 0.15 . 1 . . . . 33 E CG . 15528 1 299 . 1 1 33 33 GLU N N 15 118.459 0.15 . 1 . . . . 33 E N . 15528 1 300 . 1 1 34 34 ILE H H 1 7.912 0.05 . 1 . . . . 34 I H . 15528 1 301 . 1 1 34 34 ILE HA H 1 3.503 0.05 . 1 . . . . 34 I HA . 15528 1 302 . 1 1 34 34 ILE HB H 1 1.796 0.05 . 1 . . . . 34 I HB . 15528 1 303 . 1 1 34 34 ILE HD11 H 1 0.764 0.05 . 1 . . . . 34 I QD1 . 15528 1 304 . 1 1 34 34 ILE HD12 H 1 0.764 0.05 . 1 . . . . 34 I QD1 . 15528 1 305 . 1 1 34 34 ILE HD13 H 1 0.764 0.05 . 1 . . . . 34 I QD1 . 15528 1 306 . 1 1 34 34 ILE HG12 H 1 1.009 0.05 . 1 . . . . 34 I HG12 . 15528 1 307 . 1 1 34 34 ILE HG13 H 1 1.653 0.05 . 1 . . . . 34 I HG13 . 15528 1 308 . 1 1 34 34 ILE HG21 H 1 0.741 0.05 . 1 . . . . 34 I QG2 . 15528 1 309 . 1 1 34 34 ILE HG22 H 1 0.741 0.05 . 1 . . . . 34 I QG2 . 15528 1 310 . 1 1 34 34 ILE HG23 H 1 0.741 0.05 . 1 . . . . 34 I QG2 . 15528 1 311 . 1 1 34 34 ILE C C 13 180.639 0.15 . 1 . . . . 34 I C . 15528 1 312 . 1 1 34 34 ILE CA C 13 65.305 0.15 . 1 . . . . 34 I CA . 15528 1 313 . 1 1 34 34 ILE CB C 13 38.540 0.15 . 1 . . . . 34 I CB . 15528 1 314 . 1 1 34 34 ILE CD1 C 13 14.856 0.15 . 1 . . . . 34 I CD1 . 15528 1 315 . 1 1 34 34 ILE CG1 C 13 29.648 0.15 . 1 . . . . 34 I CG1 . 15528 1 316 . 1 1 34 34 ILE CG2 C 13 17.571 0.15 . 1 . . . . 34 I CG2 . 15528 1 317 . 1 1 34 34 ILE N N 15 120.176 0.15 . 1 . . . . 34 I N . 15528 1 318 . 1 1 35 35 ASP H H 1 8.457 0.05 . 1 . . . . 35 D H . 15528 1 319 . 1 1 35 35 ASP HA H 1 4.145 0.05 . 1 . . . . 35 D HA . 15528 1 320 . 1 1 35 35 ASP HB2 H 1 2.804 0.05 . 2 . . . . 35 D HB2 . 15528 1 321 . 1 1 35 35 ASP HB3 H 1 2.428 0.05 . 2 . . . . 35 D HB3 . 15528 1 322 . 1 1 35 35 ASP C C 13 178.790 0.15 . 1 . . . . 35 D C . 15528 1 323 . 1 1 35 35 ASP CA C 13 58.322 0.15 . 1 . . . . 35 D CA . 15528 1 324 . 1 1 35 35 ASP CB C 13 39.538 0.15 . 1 . . . . 35 D CB . 15528 1 325 . 1 1 35 35 ASP N N 15 123.589 0.15 . 1 . . . . 35 D N . 15528 1 326 . 1 1 36 36 LYS H H 1 7.573 0.05 . 1 . . . . 36 K H . 15528 1 327 . 1 1 36 36 LYS HA H 1 4.187 0.05 . 1 . . . . 36 K HA . 15528 1 328 . 1 1 36 36 LYS HB2 H 1 2.012 0.05 . 2 . . . . 36 K HB2 . 15528 1 329 . 1 1 36 36 LYS HB3 H 1 1.939 0.05 . 2 . . . . 36 K HB3 . 15528 1 330 . 1 1 36 36 LYS HD2 H 1 1.733 0.05 . 1 . . . . 36 K HD2 . 15528 1 331 . 1 1 36 36 LYS HE2 H 1 2.947 0.05 . 1 . . . . 36 K HE2 . 15528 1 332 . 1 1 36 36 LYS HG2 H 1 1.741 0.05 . 2 . . . . 36 K HG2 . 15528 1 333 . 1 1 36 36 LYS HG3 H 1 1.553 0.05 . 2 . . . . 36 K HG3 . 15528 1 334 . 1 1 36 36 LYS C C 13 176.400 0.15 . 1 . . . . 36 K C . 15528 1 335 . 1 1 36 36 LYS CA C 13 58.656 0.15 . 1 . . . . 36 K CA . 15528 1 336 . 1 1 36 36 LYS CB C 13 32.991 0.15 . 1 . . . . 36 K CB . 15528 1 337 . 1 1 36 36 LYS CD C 13 29.670 0.15 . 1 . . . . 36 K CD . 15528 1 338 . 1 1 36 36 LYS CE C 13 42.069 0.15 . 1 . . . . 36 K CE . 15528 1 339 . 1 1 36 36 LYS CG C 13 25.877 0.15 . 1 . . . . 36 K CG . 15528 1 340 . 1 1 36 36 LYS N N 15 117.506 0.15 . 1 . . . . 36 K N . 15528 1 341 . 1 1 37 37 ARG H H 1 7.397 0.05 . 1 . . . . 37 R H . 15528 1 342 . 1 1 37 37 ARG HA H 1 4.658 0.05 . 1 . . . . 37 R HA . 15528 1 343 . 1 1 37 37 ARG HB2 H 1 2.270 0.05 . 2 . . . . 37 R HB2 . 15528 1 344 . 1 1 37 37 ARG HB3 H 1 1.903 0.05 . 2 . . . . 37 R HB3 . 15528 1 345 . 1 1 37 37 ARG HD2 H 1 3.172 0.05 . 1 . . . . 37 R HD2 . 15528 1 346 . 1 1 37 37 ARG HG2 H 1 1.351 0.05 . 1 . . . . 37 R HG2 . 15528 1 347 . 1 1 37 37 ARG HH11 H 1 6.616 0.05 . 4 . . . . 37 R HH11 . 15528 1 348 . 1 1 37 37 ARG C C 13 174.361 0.15 . 1 . . . . 37 R C . 15528 1 349 . 1 1 37 37 ARG CA C 13 55.793 0.15 . 1 . . . . 37 R CA . 15528 1 350 . 1 1 37 37 ARG CB C 13 31.260 0.15 . 1 . . . . 37 R CB . 15528 1 351 . 1 1 37 37 ARG CD C 13 43.770 0.15 . 1 . . . . 37 R CD . 15528 1 352 . 1 1 37 37 ARG CG C 13 29.473 0.15 . 1 . . . . 37 R CG . 15528 1 353 . 1 1 37 37 ARG N N 15 115.182 0.15 . 1 . . . . 37 R N . 15528 1 354 . 1 1 38 38 SER H H 1 7.416 0.05 . 1 . . . . 38 S H . 15528 1 355 . 1 1 38 38 SER HA H 1 6.346 0.05 . 1 . . . . 38 S HA . 15528 1 356 . 1 1 38 38 SER HB2 H 1 3.577 0.05 . 2 . . . . 38 S HB2 . 15528 1 357 . 1 1 38 38 SER HB3 H 1 3.836 0.05 . 2 . . . . 38 S HB3 . 15528 1 358 . 1 1 38 38 SER C C 13 173.807 0.15 . 1 . . . . 38 S C . 15528 1 359 . 1 1 38 38 SER CA C 13 57.574 0.15 . 1 . . . . 38 S CA . 15528 1 360 . 1 1 38 38 SER CB C 13 67.003 0.15 . 1 . . . . 38 S CB . 15528 1 361 . 1 1 38 38 SER N N 15 112.872 0.15 . 1 . . . . 38 S N . 15528 1 362 . 1 1 39 39 VAL H H 1 8.812 0.05 . 1 . . . . 39 V H . 15528 1 363 . 1 1 39 39 VAL HA H 1 5.117 0.05 . 1 . . . . 39 V HA . 15528 1 364 . 1 1 39 39 VAL HB H 1 2.284 0.05 . 1 . . . . 39 V HB . 15528 1 365 . 1 1 39 39 VAL HG11 H 1 0.994 0.05 . 2 . . . . 39 V QG1 . 15528 1 366 . 1 1 39 39 VAL HG12 H 1 0.994 0.05 . 2 . . . . 39 V QG1 . 15528 1 367 . 1 1 39 39 VAL HG13 H 1 0.994 0.05 . 2 . . . . 39 V QG1 . 15528 1 368 . 1 1 39 39 VAL HG21 H 1 0.644 0.05 . 2 . . . . 39 V QG2 . 15528 1 369 . 1 1 39 39 VAL HG22 H 1 0.644 0.05 . 2 . . . . 39 V QG2 . 15528 1 370 . 1 1 39 39 VAL HG23 H 1 0.644 0.05 . 2 . . . . 39 V QG2 . 15528 1 371 . 1 1 39 39 VAL C C 13 174.519 0.15 . 1 . . . . 39 V C . 15528 1 372 . 1 1 39 39 VAL CA C 13 59.085 0.15 . 1 . . . . 39 V CA . 15528 1 373 . 1 1 39 39 VAL CB C 13 34.476 0.15 . 1 . . . . 39 V CB . 15528 1 374 . 1 1 39 39 VAL CG1 C 13 24.145 0.15 . 2 . . . . 39 V CG1 . 15528 1 375 . 1 1 39 39 VAL CG2 C 13 18.799 0.15 . 2 . . . . 39 V CG2 . 15528 1 376 . 1 1 39 39 VAL N N 15 111.961 0.15 . 1 . . . . 39 V N . 15528 1 377 . 1 1 40 40 TYR H H 1 9.366 0.05 . 1 . . . . 40 Y H . 15528 1 378 . 1 1 40 40 TYR HA H 1 5.108 0.05 . 1 . . . . 40 Y HA . 15528 1 379 . 1 1 40 40 TYR HB2 H 1 2.761 0.05 . 2 . . . . 40 Y HB2 . 15528 1 380 . 1 1 40 40 TYR HB3 H 1 3.047 0.05 . 2 . . . . 40 Y HB3 . 15528 1 381 . 1 1 40 40 TYR HD1 H 1 6.870 0.05 . 1 . . . . 40 Y QD . 15528 1 382 . 1 1 40 40 TYR HD2 H 1 6.870 0.05 . 1 . . . . 40 Y QD . 15528 1 383 . 1 1 40 40 TYR HE1 H 1 6.401 0.05 . 1 . . . . 40 Y QE . 15528 1 384 . 1 1 40 40 TYR HE2 H 1 6.401 0.05 . 1 . . . . 40 Y QE . 15528 1 385 . 1 1 40 40 TYR C C 13 172.976 0.15 . 1 . . . . 40 Y C . 15528 1 386 . 1 1 40 40 TYR CA C 13 56.633 0.15 . 1 . . . . 40 Y CA . 15528 1 387 . 1 1 40 40 TYR CB C 13 41.058 0.15 . 1 . . . . 40 Y CB . 15528 1 388 . 1 1 40 40 TYR CD2 C 13 133.308 0.15 . 1 . . . . 40 Y CD2 . 15528 1 389 . 1 1 40 40 TYR CE2 C 13 117.769 0.15 . 1 . . . . 40 Y CE2 . 15528 1 390 . 1 1 40 40 TYR N N 15 123.743 0.15 . 1 . . . . 40 Y N . 15528 1 391 . 1 1 41 41 VAL H H 1 8.734 0.05 . 1 . . . . 41 V H . 15528 1 392 . 1 1 41 41 VAL HA H 1 4.876 0.05 . 1 . . . . 41 V HA . 15528 1 393 . 1 1 41 41 VAL HB H 1 1.636 0.05 . 1 . . . . 41 V HB . 15528 1 394 . 1 1 41 41 VAL HG11 H 1 0.767 0.05 . 2 . . . . 41 V QG1 . 15528 1 395 . 1 1 41 41 VAL HG12 H 1 0.767 0.05 . 2 . . . . 41 V QG1 . 15528 1 396 . 1 1 41 41 VAL HG13 H 1 0.767 0.05 . 2 . . . . 41 V QG1 . 15528 1 397 . 1 1 41 41 VAL HG21 H 1 0.520 0.05 . 2 . . . . 41 V QG2 . 15528 1 398 . 1 1 41 41 VAL HG22 H 1 0.520 0.05 . 2 . . . . 41 V QG2 . 15528 1 399 . 1 1 41 41 VAL HG23 H 1 0.520 0.05 . 2 . . . . 41 V QG2 . 15528 1 400 . 1 1 41 41 VAL C C 13 174.651 0.15 . 1 . . . . 41 V C . 15528 1 401 . 1 1 41 41 VAL CA C 13 59.798 0.15 . 1 . . . . 41 V CA . 15528 1 402 . 1 1 41 41 VAL CB C 13 33.329 0.15 . 1 . . . . 41 V CB . 15528 1 403 . 1 1 41 41 VAL CG1 C 13 22.463 0.15 . 2 . . . . 41 V CG1 . 15528 1 404 . 1 1 41 41 VAL CG2 C 13 21.266 0.15 . 2 . . . . 41 V CG2 . 15528 1 405 . 1 1 41 41 VAL N N 15 127.436 0.15 . 1 . . . . 41 V N . 15528 1 406 . 1 1 42 42 GLY H H 1 9.669 0.05 . 1 . . . . 42 G H . 15528 1 407 . 1 1 42 42 GLY HA2 H 1 3.612 0.05 . 2 . . . . 42 G HA2 . 15528 1 408 . 1 1 42 42 GLY HA3 H 1 4.392 0.05 . 2 . . . . 42 G HA3 . 15528 1 409 . 1 1 42 42 GLY C C 13 173.639 0.15 . 1 . . . . 42 G C . 15528 1 410 . 1 1 42 42 GLY CA C 13 44.169 0.15 . 1 . . . . 42 G CA . 15528 1 411 . 1 1 42 42 GLY N N 15 113.263 0.15 . 1 . . . . 42 G N . 15528 1 412 . 1 1 43 43 ASN H H 1 8.412 0.05 . 1 . . . . 43 N H . 15528 1 413 . 1 1 43 43 ASN HA H 1 4.510 0.05 . 1 . . . . 43 N HA . 15528 1 414 . 1 1 43 43 ASN HB2 H 1 3.779 0.05 . 2 . . . . 43 N HB2 . 15528 1 415 . 1 1 43 43 ASN HB3 H 1 2.650 0.05 . 2 . . . . 43 N HB3 . 15528 1 416 . 1 1 43 43 ASN HD21 H 1 7.964 0.05 . 2 . . . . 43 N HD21 . 15528 1 417 . 1 1 43 43 ASN HD22 H 1 6.941 0.05 . 2 . . . . 43 N HD22 . 15528 1 418 . 1 1 43 43 ASN C C 13 174.364 0.15 . 1 . . . . 43 N C . 15528 1 419 . 1 1 43 43 ASN CA C 13 53.557 0.15 . 1 . . . . 43 N CA . 15528 1 420 . 1 1 43 43 ASN CB C 13 37.283 0.15 . 1 . . . . 43 N CB . 15528 1 421 . 1 1 43 43 ASN N N 15 115.451 0.15 . 1 . . . . 43 N N . 15528 1 422 . 1 1 43 43 ASN ND2 N 15 111.465 0.15 . 1 . . . . 43 N ND2 . 15528 1 423 . 1 1 44 44 VAL H H 1 7.083 0.05 . 1 . . . . 44 V H . 15528 1 424 . 1 1 44 44 VAL HA H 1 3.975 0.05 . 1 . . . . 44 V HA . 15528 1 425 . 1 1 44 44 VAL HB H 1 1.658 0.05 . 1 . . . . 44 V HB . 15528 1 426 . 1 1 44 44 VAL HG11 H 1 0.622 0.05 . 2 . . . . 44 V QG1 . 15528 1 427 . 1 1 44 44 VAL HG12 H 1 0.622 0.05 . 2 . . . . 44 V QG1 . 15528 1 428 . 1 1 44 44 VAL HG13 H 1 0.622 0.05 . 2 . . . . 44 V QG1 . 15528 1 429 . 1 1 44 44 VAL HG21 H 1 0.846 0.05 . 2 . . . . 44 V QG2 . 15528 1 430 . 1 1 44 44 VAL HG22 H 1 0.846 0.05 . 2 . . . . 44 V QG2 . 15528 1 431 . 1 1 44 44 VAL HG23 H 1 0.846 0.05 . 2 . . . . 44 V QG2 . 15528 1 432 . 1 1 44 44 VAL C C 13 175.885 0.15 . 1 . . . . 44 V C . 15528 1 433 . 1 1 44 44 VAL CA C 13 61.614 0.15 . 1 . . . . 44 V CA . 15528 1 434 . 1 1 44 44 VAL CB C 13 32.914 0.15 . 1 . . . . 44 V CB . 15528 1 435 . 1 1 44 44 VAL CG1 C 13 21.851 0.15 . 2 . . . . 44 V CG1 . 15528 1 436 . 1 1 44 44 VAL CG2 C 13 21.649 0.15 . 2 . . . . 44 V CG2 . 15528 1 437 . 1 1 44 44 VAL N N 15 115.399 0.15 . 1 . . . . 44 V N . 15528 1 438 . 1 1 45 45 ASP H H 1 8.305 0.05 . 1 . . . . 45 D H . 15528 1 439 . 1 1 45 45 ASP HA H 1 4.467 0.05 . 1 . . . . 45 D HA . 15528 1 440 . 1 1 45 45 ASP HB2 H 1 2.860 0.05 . 2 . . . . 45 D HB2 . 15528 1 441 . 1 1 45 45 ASP HB3 H 1 2.394 0.05 . 2 . . . . 45 D HB3 . 15528 1 442 . 1 1 45 45 ASP C C 13 177.205 0.15 . 1 . . . . 45 D C . 15528 1 443 . 1 1 45 45 ASP CA C 13 54.613 0.15 . 1 . . . . 45 D CA . 15528 1 444 . 1 1 45 45 ASP CB C 13 43.657 0.15 . 1 . . . . 45 D CB . 15528 1 445 . 1 1 45 45 ASP N N 15 124.440 0.15 . 1 . . . . 45 D N . 15528 1 446 . 1 1 46 46 TYR H H 1 8.715 0.05 . 1 . . . . 46 Y H . 15528 1 447 . 1 1 46 46 TYR HA H 1 4.483 0.05 . 1 . . . . 46 Y HA . 15528 1 448 . 1 1 46 46 TYR HB2 H 1 3.154 0.05 . 2 . . . . 46 Y HB2 . 15528 1 449 . 1 1 46 46 TYR HB3 H 1 2.955 0.05 . 2 . . . . 46 Y HB3 . 15528 1 450 . 1 1 46 46 TYR HD1 H 1 7.030 0.05 . 1 . . . . 46 Y QD . 15528 1 451 . 1 1 46 46 TYR HD2 H 1 7.030 0.05 . 1 . . . . 46 Y QD . 15528 1 452 . 1 1 46 46 TYR HE1 H 1 6.677 0.05 . 1 . . . . 46 Y QE . 15528 1 453 . 1 1 46 46 TYR HE2 H 1 6.677 0.05 . 1 . . . . 46 Y QE . 15528 1 454 . 1 1 46 46 TYR C C 13 175.453 0.15 . 1 . . . . 46 Y C . 15528 1 455 . 1 1 46 46 TYR CA C 13 59.464 0.15 . 1 . . . . 46 Y CA . 15528 1 456 . 1 1 46 46 TYR CB C 13 38.753 0.15 . 1 . . . . 46 Y CB . 15528 1 457 . 1 1 46 46 TYR CD2 C 13 132.946 0.15 . 1 . . . . 46 Y CD2 . 15528 1 458 . 1 1 46 46 TYR N N 15 125.588 0.15 . 1 . . . . 46 Y N . 15528 1 459 . 1 1 47 47 GLY H H 1 8.387 0.05 . 1 . . . . 47 G H . 15528 1 460 . 1 1 47 47 GLY HA2 H 1 3.561 0.05 . 2 . . . . 47 G HA2 . 15528 1 461 . 1 1 47 47 GLY HA3 H 1 4.348 0.05 . 2 . . . . 47 G HA3 . 15528 1 462 . 1 1 47 47 GLY C C 13 173.578 0.15 . 1 . . . . 47 G C . 15528 1 463 . 1 1 47 47 GLY CA C 13 44.965 0.15 . 1 . . . . 47 G CA . 15528 1 464 . 1 1 47 47 GLY N N 15 106.974 0.15 . 1 . . . . 47 G N . 15528 1 465 . 1 1 48 48 SER H H 1 7.417 0.05 . 1 . . . . 48 S H . 15528 1 466 . 1 1 48 48 SER HA H 1 4.428 0.05 . 1 . . . . 48 S HA . 15528 1 467 . 1 1 48 48 SER HB2 H 1 3.752 0.05 . 1 . . . . 48 S HB2 . 15528 1 468 . 1 1 48 48 SER C C 13 173.220 0.15 . 1 . . . . 48 S C . 15528 1 469 . 1 1 48 48 SER CA C 13 59.892 0.15 . 1 . . . . 48 S CA . 15528 1 470 . 1 1 48 48 SER CB C 13 64.519 0.15 . 1 . . . . 48 S CB . 15528 1 471 . 1 1 48 48 SER N N 15 115.423 0.15 . 1 . . . . 48 S N . 15528 1 472 . 1 1 49 49 THR H H 1 8.474 0.05 . 1 . . . . 49 T H . 15528 1 473 . 1 1 49 49 THR HA H 1 4.660 0.05 . 1 . . . . 49 T HA . 15528 1 474 . 1 1 49 49 THR HB H 1 4.305 0.05 . 1 . . . . 49 T HB . 15528 1 475 . 1 1 49 49 THR HG21 H 1 1.079 0.05 . 1 . . . . 49 T QG2 . 15528 1 476 . 1 1 49 49 THR HG22 H 1 1.079 0.05 . 1 . . . . 49 T QG2 . 15528 1 477 . 1 1 49 49 THR HG23 H 1 1.079 0.05 . 1 . . . . 49 T QG2 . 15528 1 478 . 1 1 49 49 THR C C 13 175.940 0.15 . 1 . . . . 49 T C . 15528 1 479 . 1 1 49 49 THR CA C 13 58.831 0.15 . 1 . . . . 49 T CA . 15528 1 480 . 1 1 49 49 THR CB C 13 72.585 0.15 . 1 . . . . 49 T CB . 15528 1 481 . 1 1 49 49 THR CG2 C 13 22.904 0.15 . 1 . . . . 49 T CG2 . 15528 1 482 . 1 1 49 49 THR N N 15 112.103 0.15 . 1 . . . . 49 T N . 15528 1 483 . 1 1 50 50 ALA H H 1 9.723 0.05 . 1 . . . . 50 A H . 15528 1 484 . 1 1 50 50 ALA HA H 1 3.923 0.05 . 1 . . . . 50 A HA . 15528 1 485 . 1 1 50 50 ALA HB1 H 1 1.292 0.05 . 1 . . . . 50 A QB . 15528 1 486 . 1 1 50 50 ALA HB2 H 1 1.292 0.05 . 1 . . . . 50 A QB . 15528 1 487 . 1 1 50 50 ALA HB3 H 1 1.292 0.05 . 1 . . . . 50 A QB . 15528 1 488 . 1 1 50 50 ALA C C 13 179.045 0.15 . 1 . . . . 50 A C . 15528 1 489 . 1 1 50 50 ALA CA C 13 55.643 0.15 . 1 . . . . 50 A CA . 15528 1 490 . 1 1 50 50 ALA CB C 13 18.259 0.15 . 1 . . . . 50 A CB . 15528 1 491 . 1 1 50 50 ALA N N 15 123.988 0.15 . 1 . . . . 50 A N . 15528 1 492 . 1 1 51 51 GLN H H 1 7.730 0.05 . 1 . . . . 51 Q H . 15528 1 493 . 1 1 51 51 GLN HA H 1 3.940 0.05 . 1 . . . . 51 Q HA . 15528 1 494 . 1 1 51 51 GLN HB2 H 1 1.883 0.05 . 2 . . . . 51 Q HB2 . 15528 1 495 . 1 1 51 51 GLN HB3 H 1 1.554 0.05 . 2 . . . . 51 Q HB3 . 15528 1 496 . 1 1 51 51 GLN HE21 H 1 6.710 0.05 . 2 . . . . 51 Q HE21 . 15528 1 497 . 1 1 51 51 GLN HE22 H 1 7.395 0.05 . 2 . . . . 51 Q HE22 . 15528 1 498 . 1 1 51 51 GLN HG2 H 1 2.344 0.05 . 2 . . . . 51 Q HG2 . 15528 1 499 . 1 1 51 51 GLN HG3 H 1 2.280 0.05 . 2 . . . . 51 Q HG3 . 15528 1 500 . 1 1 51 51 GLN C C 13 178.215 0.15 . 1 . . . . 51 Q C . 15528 1 501 . 1 1 51 51 GLN CA C 13 59.096 0.15 . 1 . . . . 51 Q CA . 15528 1 502 . 1 1 51 51 GLN CB C 13 28.508 0.15 . 1 . . . . 51 Q CB . 15528 1 503 . 1 1 51 51 GLN CG C 13 33.610 0.15 . 1 . . . . 51 Q CG . 15528 1 504 . 1 1 51 51 GLN N N 15 116.375 0.15 . 1 . . . . 51 Q N . 15528 1 505 . 1 1 52 52 ASP H H 1 8.273 0.05 . 1 . . . . 52 D H . 15528 1 506 . 1 1 52 52 ASP HA H 1 4.587 0.05 . 1 . . . . 52 D HA . 15528 1 507 . 1 1 52 52 ASP C C 13 179.837 0.15 . 1 . . . . 52 D C . 15528 1 508 . 1 1 52 52 ASP CA C 13 57.556 0.15 . 1 . . . . 52 D CA . 15528 1 509 . 1 1 52 52 ASP CB C 13 41.057 0.15 . 1 . . . . 52 D CB . 15528 1 510 . 1 1 52 52 ASP N N 15 120.755 0.15 . 1 . . . . 52 D N . 15528 1 511 . 1 1 53 53 LEU H H 1 7.855 0.05 . 1 . . . . 53 L H . 15528 1 512 . 1 1 53 53 LEU HA H 1 3.933 0.05 . 1 . . . . 53 L HA . 15528 1 513 . 1 1 53 53 LEU HB2 H 1 1.302 0.05 . 2 . . . . 53 L HB2 . 15528 1 514 . 1 1 53 53 LEU HB3 H 1 1.884 0.05 . 2 . . . . 53 L HB3 . 15528 1 515 . 1 1 53 53 LEU HD11 H 1 0.592 0.05 . 2 . . . . 53 L QD1 . 15528 1 516 . 1 1 53 53 LEU HD12 H 1 0.592 0.05 . 2 . . . . 53 L QD1 . 15528 1 517 . 1 1 53 53 LEU HD13 H 1 0.592 0.05 . 2 . . . . 53 L QD1 . 15528 1 518 . 1 1 53 53 LEU HD21 H 1 0.455 0.05 . 2 . . . . 53 L QD2 . 15528 1 519 . 1 1 53 53 LEU HD22 H 1 0.455 0.05 . 2 . . . . 53 L QD2 . 15528 1 520 . 1 1 53 53 LEU HD23 H 1 0.455 0.05 . 2 . . . . 53 L QD2 . 15528 1 521 . 1 1 53 53 LEU HG H 1 1.646 0.05 . 1 . . . . 53 L HG . 15528 1 522 . 1 1 53 53 LEU C C 13 178.463 0.15 . 1 . . . . 53 L C . 15528 1 523 . 1 1 53 53 LEU CA C 13 58.367 0.15 . 1 . . . . 53 L CA . 15528 1 524 . 1 1 53 53 LEU CB C 13 42.646 0.15 . 1 . . . . 53 L CB . 15528 1 525 . 1 1 53 53 LEU CD1 C 13 25.897 0.15 . 2 . . . . 53 L CD1 . 15528 1 526 . 1 1 53 53 LEU CD2 C 13 24.231 0.15 . 2 . . . . 53 L CD2 . 15528 1 527 . 1 1 53 53 LEU CG C 13 27.665 0.15 . 1 . . . . 53 L CG . 15528 1 528 . 1 1 53 53 LEU N N 15 122.035 0.15 . 1 . . . . 53 L N . 15528 1 529 . 1 1 54 54 GLU H H 1 8.804 0.05 . 1 . . . . 54 E H . 15528 1 530 . 1 1 54 54 GLU HA H 1 3.745 0.05 . 1 . . . . 54 E HA . 15528 1 531 . 1 1 54 54 GLU HB2 H 1 2.228 0.05 . 2 . . . . 54 E HB2 . 15528 1 532 . 1 1 54 54 GLU HB3 H 1 2.084 0.05 . 2 . . . . 54 E HB3 . 15528 1 533 . 1 1 54 54 GLU HG2 H 1 2.216 0.05 . 1 . . . . 54 E HG2 . 15528 1 534 . 1 1 54 54 GLU C C 13 178.467 0.15 . 1 . . . . 54 E C . 15528 1 535 . 1 1 54 54 GLU CA C 13 59.833 0.15 . 1 . . . . 54 E CA . 15528 1 536 . 1 1 54 54 GLU CB C 13 29.238 0.15 . 1 . . . . 54 E CB . 15528 1 537 . 1 1 54 54 GLU CG C 13 36.291 0.15 . 1 . . . . 54 E CG . 15528 1 538 . 1 1 54 54 GLU N N 15 120.472 0.15 . 1 . . . . 54 E N . 15528 1 539 . 1 1 55 55 ALA H H 1 8.098 0.05 . 1 . . . . 55 A H . 15528 1 540 . 1 1 55 55 ALA HA H 1 4.249 0.05 . 1 . . . . 55 A HA . 15528 1 541 . 1 1 55 55 ALA HB1 H 1 1.655 0.05 . 1 . . . . 55 A QB . 15528 1 542 . 1 1 55 55 ALA HB2 H 1 1.655 0.05 . 1 . . . . 55 A QB . 15528 1 543 . 1 1 55 55 ALA HB3 H 1 1.655 0.05 . 1 . . . . 55 A QB . 15528 1 544 . 1 1 55 55 ALA C C 13 180.711 0.15 . 1 . . . . 55 A C . 15528 1 545 . 1 1 55 55 ALA CA C 13 55.077 0.15 . 1 . . . . 55 A CA . 15528 1 546 . 1 1 55 55 ALA CB C 13 18.164 0.15 . 1 . . . . 55 A CB . 15528 1 547 . 1 1 55 55 ALA N N 15 119.302 0.15 . 1 . . . . 55 A N . 15528 1 548 . 1 1 56 56 HIS H H 1 7.927 0.05 . 1 . . . . 56 H H . 15528 1 549 . 1 1 56 56 HIS HA H 1 4.281 0.05 . 1 . . . . 56 H HA . 15528 1 550 . 1 1 56 56 HIS HB2 H 1 2.875 0.05 . 2 . . . . 56 H HB2 . 15528 1 551 . 1 1 56 56 HIS HB3 H 1 3.136 0.05 . 2 . . . . 56 H HB3 . 15528 1 552 . 1 1 56 56 HIS HD2 H 1 5.328 0.05 . 1 . . . . 56 H HD2 . 15528 1 553 . 1 1 56 56 HIS C C 13 176.342 0.15 . 1 . . . . 56 H C . 15528 1 554 . 1 1 56 56 HIS CA C 13 59.362 0.15 . 1 . . . . 56 H CA . 15528 1 555 . 1 1 56 56 HIS CB C 13 31.200 0.15 . 1 . . . . 56 H CB . 15528 1 556 . 1 1 56 56 HIS N N 15 117.016 0.15 . 1 . . . . 56 H N . 15528 1 557 . 1 1 57 57 PHE H H 1 7.811 0.05 . 1 . . . . 57 F H . 15528 1 558 . 1 1 57 57 PHE HA H 1 4.554 0.05 . 1 . . . . 57 F HA . 15528 1 559 . 1 1 57 57 PHE HB2 H 1 2.761 0.05 . 2 . . . . 57 F HB2 . 15528 1 560 . 1 1 57 57 PHE HB3 H 1 3.653 0.05 . 2 . . . . 57 F HB3 . 15528 1 561 . 1 1 57 57 PHE HD1 H 1 7.674 0.05 . 1 . . . . 57 F HD1 . 15528 1 562 . 1 1 57 57 PHE HD2 H 1 7.677 0.05 . 1 . . . . 57 F HD2 . 15528 1 563 . 1 1 57 57 PHE HE1 H 1 7.066 0.05 . 1 . . . . 57 F HE1 . 15528 1 564 . 1 1 57 57 PHE HZ H 1 6.936 0.05 . 1 . . . . 57 F HZ . 15528 1 565 . 1 1 57 57 PHE C C 13 177.301 0.15 . 1 . . . . 57 F C . 15528 1 566 . 1 1 57 57 PHE CA C 13 59.480 0.15 . 1 . . . . 57 F CA . 15528 1 567 . 1 1 57 57 PHE CB C 13 40.432 0.15 . 1 . . . . 57 F CB . 15528 1 568 . 1 1 57 57 PHE CD1 C 13 132.606 0.15 . 1 . . . . 57 F CD1 . 15528 1 569 . 1 1 57 57 PHE CE1 C 13 130.450 0.15 . 1 . . . . 57 F CE1 . 15528 1 570 . 1 1 57 57 PHE CZ C 13 128.535 0.15 . 1 . . . . 57 F CZ . 15528 1 571 . 1 1 57 57 PHE N N 15 111.423 0.15 . 1 . . . . 57 F N . 15528 1 572 . 1 1 58 58 SER H H 1 8.126 0.05 . 1 . . . . 58 S H . 15528 1 573 . 1 1 58 58 SER HA H 1 4.468 0.05 . 1 . . . . 58 S HA . 15528 1 574 . 1 1 58 58 SER HB2 H 1 4.180 0.05 . 1 . . . . 58 S HB2 . 15528 1 575 . 1 1 58 58 SER C C 13 176.676 0.15 . 1 . . . . 58 S C . 15528 1 576 . 1 1 58 58 SER CA C 13 62.159 0.15 . 1 . . . . 58 S CA . 15528 1 577 . 1 1 58 58 SER N N 15 118.439 0.15 . 1 . . . . 58 S N . 15528 1 578 . 1 1 59 59 SER H H 1 8.422 0.05 . 1 . . . . 59 S H . 15528 1 579 . 1 1 59 59 SER HA H 1 4.291 0.05 . 1 . . . . 59 S HA . 15528 1 580 . 1 1 59 59 SER HB2 H 1 3.941 0.05 . 1 . . . . 59 S HB2 . 15528 1 581 . 1 1 59 59 SER C C 13 175.955 0.15 . 1 . . . . 59 S C . 15528 1 582 . 1 1 59 59 SER CA C 13 60.277 0.15 . 1 . . . . 59 S CA . 15528 1 583 . 1 1 59 59 SER CB C 13 62.444 0.15 . 1 . . . . 59 S CB . 15528 1 584 . 1 1 59 59 SER N N 15 116.618 0.15 . 1 . . . . 59 S N . 15528 1 585 . 1 1 60 60 CYS H H 1 8.226 0.05 . 1 . . . . 60 C H . 15528 1 586 . 1 1 60 60 CYS HA H 1 4.067 0.05 . 1 . . . . 60 C HA . 15528 1 587 . 1 1 60 60 CYS HB2 H 1 2.734 0.05 . 2 . . . . 60 C HB2 . 15528 1 588 . 1 1 60 60 CYS HB3 H 1 3.322 0.05 . 2 . . . . 60 C HB3 . 15528 1 589 . 1 1 60 60 CYS C C 13 174.682 0.15 . 1 . . . . 60 C C . 15528 1 590 . 1 1 60 60 CYS CA C 13 60.683 0.15 . 1 . . . . 60 C CA . 15528 1 591 . 1 1 60 60 CYS CB C 13 28.894 0.15 . 1 . . . . 60 C CB . 15528 1 592 . 1 1 60 60 CYS N N 15 118.900 0.15 . 1 . . . . 60 C N . 15528 1 593 . 1 1 61 61 GLY H H 1 7.414 0.05 . 1 . . . . 61 G H . 15528 1 594 . 1 1 61 61 GLY HA2 H 1 3.887 0.05 . 2 . . . . 61 G HA2 . 15528 1 595 . 1 1 61 61 GLY HA3 H 1 4.489 0.05 . 2 . . . . 61 G HA3 . 15528 1 596 . 1 1 61 61 GLY C C 13 171.619 0.15 . 1 . . . . 61 G C . 15528 1 597 . 1 1 61 61 GLY CA C 13 44.000 0.15 . 1 . . . . 61 G CA . 15528 1 598 . 1 1 61 61 GLY N N 15 106.320 0.15 . 1 . . . . 61 G N . 15528 1 599 . 1 1 62 62 SER H H 1 8.182 0.05 . 1 . . . . 62 S H . 15528 1 600 . 1 1 62 62 SER HA H 1 4.420 0.05 . 1 . . . . 62 S HA . 15528 1 601 . 1 1 62 62 SER HB2 H 1 3.912 0.05 . 2 . . . . 62 S HB2 . 15528 1 602 . 1 1 62 62 SER HB3 H 1 3.826 0.05 . 2 . . . . 62 S HB3 . 15528 1 603 . 1 1 62 62 SER C C 13 175.295 0.15 . 1 . . . . 62 S C . 15528 1 604 . 1 1 62 62 SER CA C 13 59.839 0.15 . 1 . . . . 62 S CA . 15528 1 605 . 1 1 62 62 SER CB C 13 63.617 0.15 . 1 . . . . 62 S CB . 15528 1 606 . 1 1 62 62 SER N N 15 112.485 0.15 . 1 . . . . 62 S N . 15528 1 607 . 1 1 63 63 ILE H H 1 8.857 0.05 . 1 . . . . 63 I H . 15528 1 608 . 1 1 63 63 ILE HA H 1 4.007 0.05 . 1 . . . . 63 I HA . 15528 1 609 . 1 1 63 63 ILE HB H 1 1.569 0.05 . 1 . . . . 63 I HB . 15528 1 610 . 1 1 63 63 ILE HD11 H 1 0.816 0.05 . 1 . . . . 63 I QD1 . 15528 1 611 . 1 1 63 63 ILE HD12 H 1 0.816 0.05 . 1 . . . . 63 I QD1 . 15528 1 612 . 1 1 63 63 ILE HD13 H 1 0.816 0.05 . 1 . . . . 63 I QD1 . 15528 1 613 . 1 1 63 63 ILE HG12 H 1 1.973 0.05 . 1 . . . . 63 I HG12 . 15528 1 614 . 1 1 63 63 ILE HG13 H 1 0.316 0.05 . 1 . . . . 63 I HG13 . 15528 1 615 . 1 1 63 63 ILE HG21 H 1 0.529 0.05 . 1 . . . . 63 I QG2 . 15528 1 616 . 1 1 63 63 ILE HG22 H 1 0.529 0.05 . 1 . . . . 63 I QG2 . 15528 1 617 . 1 1 63 63 ILE HG23 H 1 0.529 0.05 . 1 . . . . 63 I QG2 . 15528 1 618 . 1 1 63 63 ILE C C 13 175.045 0.15 . 1 . . . . 63 I C . 15528 1 619 . 1 1 63 63 ILE CA C 13 61.979 0.15 . 1 . . . . 63 I CA . 15528 1 620 . 1 1 63 63 ILE CB C 13 41.048 0.15 . 1 . . . . 63 I CB . 15528 1 621 . 1 1 63 63 ILE CD1 C 13 14.912 0.15 . 1 . . . . 63 I CD1 . 15528 1 622 . 1 1 63 63 ILE CG1 C 13 29.470 0.15 . 1 . . . . 63 I CG1 . 15528 1 623 . 1 1 63 63 ILE CG2 C 13 18.135 0.15 . 1 . . . . 63 I CG2 . 15528 1 624 . 1 1 63 63 ILE N N 15 127.966 0.15 . 1 . . . . 63 I N . 15528 1 625 . 1 1 64 64 ASN H H 1 8.897 0.05 . 1 . . . . 64 N H . 15528 1 626 . 1 1 64 64 ASN HA H 1 4.667 0.05 . 1 . . . . 64 N HA . 15528 1 627 . 1 1 64 64 ASN HB2 H 1 2.247 0.05 . 2 . . . . 64 N HB2 . 15528 1 628 . 1 1 64 64 ASN HB3 H 1 2.450 0.05 . 2 . . . . 64 N HB3 . 15528 1 629 . 1 1 64 64 ASN HD21 H 1 7.440 0.05 . 2 . . . . 64 N HD21 . 15528 1 630 . 1 1 64 64 ASN HD22 H 1 7.153 0.05 . 2 . . . . 64 N HD22 . 15528 1 631 . 1 1 64 64 ASN C C 13 174.686 0.15 . 1 . . . . 64 N C . 15528 1 632 . 1 1 64 64 ASN CA C 13 53.627 0.15 . 1 . . . . 64 N CA . 15528 1 633 . 1 1 64 64 ASN CB C 13 40.062 0.15 . 1 . . . . 64 N CB . 15528 1 634 . 1 1 64 64 ASN N N 15 124.997 0.15 . 1 . . . . 64 N N . 15528 1 635 . 1 1 64 64 ASN ND2 N 15 109.159 0.15 . 1 . . . . 64 N ND2 . 15528 1 636 . 1 1 65 65 ARG H H 1 7.419 0.05 . 1 . . . . 65 R H . 15528 1 637 . 1 1 65 65 ARG HA H 1 5.155 0.05 . 1 . . . . 65 R HA . 15528 1 638 . 1 1 65 65 ARG HB2 H 1 1.809 0.05 . 2 . . . . 65 R HB2 . 15528 1 639 . 1 1 65 65 ARG HB3 H 1 1.845 0.05 . 2 . . . . 65 R HB3 . 15528 1 640 . 1 1 65 65 ARG HD2 H 1 3.250 0.05 . 2 . . . . 65 R HD2 . 15528 1 641 . 1 1 65 65 ARG HD3 H 1 3.157 0.05 . 2 . . . . 65 R HD3 . 15528 1 642 . 1 1 65 65 ARG HE H 1 7.686 0.05 . 1 . . . . 65 R HE . 15528 1 643 . 1 1 65 65 ARG HG2 H 1 1.605 0.05 . 2 . . . . 65 R HG2 . 15528 1 644 . 1 1 65 65 ARG HG3 H 1 1.750 0.05 . 2 . . . . 65 R HG3 . 15528 1 645 . 1 1 65 65 ARG C C 13 173.788 0.15 . 1 . . . . 65 R C . 15528 1 646 . 1 1 65 65 ARG CA C 13 55.703 0.15 . 1 . . . . 65 R CA . 15528 1 647 . 1 1 65 65 ARG CB C 13 35.408 0.15 . 1 . . . . 65 R CB . 15528 1 648 . 1 1 65 65 ARG CD C 13 43.909 0.15 . 1 . . . . 65 R CD . 15528 1 649 . 1 1 65 65 ARG CG C 13 28.510 0.15 . 1 . . . . 65 R CG . 15528 1 650 . 1 1 65 65 ARG N N 15 116.737 0.15 . 1 . . . . 65 R N . 15528 1 651 . 1 1 65 65 ARG NE N 15 85.344 0.15 . 1 . . . . 65 R NE . 15528 1 652 . 1 1 66 66 ILE H H 1 8.681 0.05 . 1 . . . . 66 I H . 15528 1 653 . 1 1 66 66 ILE HA H 1 4.574 0.05 . 1 . . . . 66 I HA . 15528 1 654 . 1 1 66 66 ILE HB H 1 1.442 0.05 . 1 . . . . 66 I HB . 15528 1 655 . 1 1 66 66 ILE HD11 H 1 0.844 0.05 . 1 . . . . 66 I QD1 . 15528 1 656 . 1 1 66 66 ILE HD12 H 1 0.844 0.05 . 1 . . . . 66 I QD1 . 15528 1 657 . 1 1 66 66 ILE HD13 H 1 0.844 0.05 . 1 . . . . 66 I QD1 . 15528 1 658 . 1 1 66 66 ILE HG12 H 1 0.848 0.05 . 1 . . . . 66 I HG12 . 15528 1 659 . 1 1 66 66 ILE HG13 H 1 1.547 0.05 . 1 . . . . 66 I HG13 . 15528 1 660 . 1 1 66 66 ILE HG21 H 1 0.782 0.05 . 1 . . . . 66 I QG2 . 15528 1 661 . 1 1 66 66 ILE HG22 H 1 0.782 0.05 . 1 . . . . 66 I QG2 . 15528 1 662 . 1 1 66 66 ILE HG23 H 1 0.782 0.05 . 1 . . . . 66 I QG2 . 15528 1 663 . 1 1 66 66 ILE C C 13 173.717 0.15 . 1 . . . . 66 I C . 15528 1 664 . 1 1 66 66 ILE CA C 13 61.049 0.15 . 1 . . . . 66 I CA . 15528 1 665 . 1 1 66 66 ILE CB C 13 42.988 0.15 . 1 . . . . 66 I CB . 15528 1 666 . 1 1 66 66 ILE CD1 C 13 14.849 0.15 . 1 . . . . 66 I CD1 . 15528 1 667 . 1 1 66 66 ILE CG1 C 13 29.035 0.15 . 1 . . . . 66 I CG1 . 15528 1 668 . 1 1 66 66 ILE CG2 C 13 17.785 0.15 . 1 . . . . 66 I CG2 . 15528 1 669 . 1 1 66 66 ILE N N 15 123.359 0.15 . 1 . . . . 66 I N . 15528 1 670 . 1 1 67 67 THR H H 1 8.861 0.05 . 1 . . . . 67 T H . 15528 1 671 . 1 1 67 67 THR HA H 1 5.378 0.05 . 1 . . . . 67 T HA . 15528 1 672 . 1 1 67 67 THR HB H 1 4.087 0.05 . 1 . . . . 67 T HB . 15528 1 673 . 1 1 67 67 THR HG21 H 1 1.157 0.05 . 1 . . . . 67 T QG2 . 15528 1 674 . 1 1 67 67 THR HG22 H 1 1.157 0.05 . 1 . . . . 67 T QG2 . 15528 1 675 . 1 1 67 67 THR HG23 H 1 1.157 0.05 . 1 . . . . 67 T QG2 . 15528 1 676 . 1 1 67 67 THR C C 13 173.526 0.15 . 1 . . . . 67 T C . 15528 1 677 . 1 1 67 67 THR CA C 13 61.112 0.15 . 1 . . . . 67 T CA . 15528 1 678 . 1 1 67 67 THR CB C 13 70.857 0.15 . 1 . . . . 67 T CB . 15528 1 679 . 1 1 67 67 THR CG2 C 13 21.315 0.15 . 1 . . . . 67 T CG2 . 15528 1 680 . 1 1 67 67 THR N N 15 124.375 0.15 . 1 . . . . 67 T N . 15528 1 681 . 1 1 68 68 ILE H H 1 9.768 0.05 . 1 . . . . 68 I H . 15528 1 682 . 1 1 68 68 ILE HA H 1 4.333 0.05 . 1 . . . . 68 I HA . 15528 1 683 . 1 1 68 68 ILE HB H 1 1.600 0.05 . 1 . . . . 68 I HB . 15528 1 684 . 1 1 68 68 ILE HD11 H 1 0.588 0.05 . 1 . . . . 68 I QD1 . 15528 1 685 . 1 1 68 68 ILE HD12 H 1 0.588 0.05 . 1 . . . . 68 I QD1 . 15528 1 686 . 1 1 68 68 ILE HD13 H 1 0.588 0.05 . 1 . . . . 68 I QD1 . 15528 1 687 . 1 1 68 68 ILE HG12 H 1 1.432 0.05 . 1 . . . . 68 I HG12 . 15528 1 688 . 1 1 68 68 ILE HG13 H 1 0.542 0.05 . 1 . . . . 68 I HG13 . 15528 1 689 . 1 1 68 68 ILE HG21 H 1 0.780 0.05 . 1 . . . . 68 I QG2 . 15528 1 690 . 1 1 68 68 ILE HG22 H 1 0.780 0.05 . 1 . . . . 68 I QG2 . 15528 1 691 . 1 1 68 68 ILE HG23 H 1 0.780 0.05 . 1 . . . . 68 I QG2 . 15528 1 692 . 1 1 68 68 ILE C C 13 173.743 0.15 . 1 . . . . 68 I C . 15528 1 693 . 1 1 68 68 ILE CA C 13 61.237 0.15 . 1 . . . . 68 I CA . 15528 1 694 . 1 1 68 68 ILE CB C 13 40.908 0.15 . 1 . . . . 68 I CB . 15528 1 695 . 1 1 68 68 ILE CD1 C 13 13.413 0.15 . 1 . . . . 68 I CD1 . 15528 1 696 . 1 1 68 68 ILE CG1 C 13 28.423 0.15 . 1 . . . . 68 I CG1 . 15528 1 697 . 1 1 68 68 ILE CG2 C 13 17.597 0.15 . 1 . . . . 68 I CG2 . 15528 1 698 . 1 1 68 68 ILE N N 15 127.340 0.15 . 1 . . . . 68 I N . 15528 1 699 . 1 1 69 69 LEU H H 1 9.045 0.05 . 1 . . . . 69 L H . 15528 1 700 . 1 1 69 69 LEU HA H 1 5.074 0.05 . 1 . . . . 69 L HA . 15528 1 701 . 1 1 69 69 LEU HB2 H 1 1.140 0.05 . 2 . . . . 69 L HB2 . 15528 1 702 . 1 1 69 69 LEU HB3 H 1 0.566 0.05 . 2 . . . . 69 L HB3 . 15528 1 703 . 1 1 69 69 LEU HD11 H 1 0.855 0.05 . 1 . . . . 69 L QD1 . 15528 1 704 . 1 1 69 69 LEU HD12 H 1 0.855 0.05 . 1 . . . . 69 L QD1 . 15528 1 705 . 1 1 69 69 LEU HD13 H 1 0.855 0.05 . 1 . . . . 69 L QD1 . 15528 1 706 . 1 1 69 69 LEU HD21 H 1 0.661 0.05 . 1 . . . . 69 L QD2 . 15528 1 707 . 1 1 69 69 LEU HD22 H 1 0.661 0.05 . 1 . . . . 69 L QD2 . 15528 1 708 . 1 1 69 69 LEU HD23 H 1 0.661 0.05 . 1 . . . . 69 L QD2 . 15528 1 709 . 1 1 69 69 LEU HG H 1 1.521 0.05 . 1 . . . . 69 L HG . 15528 1 710 . 1 1 69 69 LEU C C 13 175.502 0.15 . 1 . . . . 69 L C . 15528 1 711 . 1 1 69 69 LEU CA C 13 55.186 0.15 . 1 . . . . 69 L CA . 15528 1 712 . 1 1 69 69 LEU CB C 13 42.702 0.15 . 1 . . . . 69 L CB . 15528 1 713 . 1 1 69 69 LEU CD1 C 13 26.370 0.15 . 2 . . . . 69 L CD1 . 15528 1 714 . 1 1 69 69 LEU CD2 C 13 26.268 0.15 . 2 . . . . 69 L CD2 . 15528 1 715 . 1 1 69 69 LEU CG C 13 28.502 0.15 . 1 . . . . 69 L CG . 15528 1 716 . 1 1 69 69 LEU N N 15 128.686 0.15 . 1 . . . . 69 L N . 15528 1 717 . 1 1 70 70 CYS H H 1 8.767 0.05 . 1 . . . . 70 C H . 15528 1 718 . 1 1 70 70 CYS HA H 1 5.237 0.05 . 1 . . . . 70 C HA . 15528 1 719 . 1 1 70 70 CYS HB2 H 1 2.554 0.05 . 1 . . . . 70 C HB2 . 15528 1 720 . 1 1 70 70 CYS C C 13 173.558 0.15 . 1 . . . . 70 C C . 15528 1 721 . 1 1 70 70 CYS CA C 13 57.609 0.15 . 1 . . . . 70 C CA . 15528 1 722 . 1 1 70 70 CYS CB C 13 29.830 0.15 . 1 . . . . 70 C CB . 15528 1 723 . 1 1 70 70 CYS N N 15 120.856 0.15 . 1 . . . . 70 C N . 15528 1 724 . 1 1 71 71 ASP H H 1 9.109 0.05 . 1 . . . . 71 D H . 15528 1 725 . 1 1 71 71 ASP HA H 1 5.193 0.05 . 1 . . . . 71 D HA . 15528 1 726 . 1 1 71 71 ASP HB2 H 1 2.695 0.05 . 2 . . . . 71 D HB2 . 15528 1 727 . 1 1 71 71 ASP HB3 H 1 2.823 0.05 . 2 . . . . 71 D HB3 . 15528 1 728 . 1 1 71 71 ASP C C 13 175.440 0.15 . 1 . . . . 71 D C . 15528 1 729 . 1 1 71 71 ASP CA C 13 53.705 0.15 . 1 . . . . 71 D CA . 15528 1 730 . 1 1 71 71 ASP CB C 13 44.774 0.15 . 1 . . . . 71 D CB . 15528 1 731 . 1 1 71 71 ASP N N 15 124.936 0.15 . 1 . . . . 71 D N . 15528 1 732 . 1 1 72 72 LYS H H 1 8.262 0.05 . 1 . . . . 72 K H . 15528 1 733 . 1 1 72 72 LYS HA H 1 4.553 0.05 . 1 . . . . 72 K HA . 15528 1 734 . 1 1 72 72 LYS HB2 H 1 1.904 0.05 . 2 . . . . 72 K HB2 . 15528 1 735 . 1 1 72 72 LYS HB3 H 1 1.586 0.05 . 2 . . . . 72 K HB3 . 15528 1 736 . 1 1 72 72 LYS HD2 H 1 1.552 0.05 . 1 . . . . 72 K HD2 . 15528 1 737 . 1 1 72 72 LYS HE2 H 1 2.761 0.05 . 1 . . . . 72 K HE2 . 15528 1 738 . 1 1 72 72 LYS HG2 H 1 1.050 0.05 . 2 . . . . 72 K HG2 . 15528 1 739 . 1 1 72 72 LYS HG3 H 1 1.351 0.05 . 2 . . . . 72 K HG3 . 15528 1 740 . 1 1 72 72 LYS C C 13 177.732 0.15 . 1 . . . . 72 K C . 15528 1 741 . 1 1 72 72 LYS CA C 13 55.608 0.15 . 1 . . . . 72 K CA . 15528 1 742 . 1 1 72 72 LYS CB C 13 32.469 0.15 . 1 . . . . 72 K CB . 15528 1 743 . 1 1 72 72 LYS CE C 13 41.294 0.15 . 1 . . . . 72 K CE . 15528 1 744 . 1 1 72 72 LYS CG C 13 24.975 0.15 . 1 . . . . 72 K CG . 15528 1 745 . 1 1 72 72 LYS N N 15 120.339 0.15 . 1 . . . . 72 K N . 15528 1 746 . 1 1 73 73 PHE H H 1 8.663 0.05 . 1 . . . . 73 F H . 15528 1 747 . 1 1 73 73 PHE HA H 1 4.357 0.05 . 1 . . . . 73 F HA . 15528 1 748 . 1 1 73 73 PHE HB2 H 1 3.240 0.05 . 2 . . . . 73 F HB2 . 15528 1 749 . 1 1 73 73 PHE HB3 H 1 3.032 0.05 . 2 . . . . 73 F HB3 . 15528 1 750 . 1 1 73 73 PHE HD1 H 1 7.301 0.05 . 1 . . . . 73 F QD . 15528 1 751 . 1 1 73 73 PHE HD2 H 1 7.301 0.05 . 1 . . . . 73 F QD . 15528 1 752 . 1 1 73 73 PHE C C 13 177.148 0.15 . 1 . . . . 73 F C . 15528 1 753 . 1 1 73 73 PHE CA C 13 60.214 0.15 . 1 . . . . 73 F CA . 15528 1 754 . 1 1 73 73 PHE CB C 13 39.157 0.15 . 1 . . . . 73 F CB . 15528 1 755 . 1 1 73 73 PHE CD2 C 13 131.621 0.15 . 1 . . . . 73 F CD2 . 15528 1 756 . 1 1 73 73 PHE N N 15 121.961 0.15 . 1 . . . . 73 F N . 15528 1 757 . 1 1 74 74 SER H H 1 8.780 0.05 . 1 . . . . 74 S H . 15528 1 758 . 1 1 74 74 SER HA H 1 4.353 0.05 . 1 . . . . 74 S HA . 15528 1 759 . 1 1 74 74 SER HB2 H 1 3.976 0.05 . 1 . . . . 74 S HB2 . 15528 1 760 . 1 1 74 74 SER C C 13 174.810 0.15 . 1 . . . . 74 S C . 15528 1 761 . 1 1 74 74 SER CA C 13 58.965 0.15 . 1 . . . . 74 S CA . 15528 1 762 . 1 1 74 74 SER CB C 13 63.650 0.15 . 1 . . . . 74 S CB . 15528 1 763 . 1 1 74 74 SER N N 15 114.021 0.15 . 1 . . . . 74 S N . 15528 1 764 . 1 1 75 75 GLY H H 1 8.004 0.05 . 1 . . . . 75 G H . 15528 1 765 . 1 1 75 75 GLY HA2 H 1 3.635 0.05 . 2 . . . . 75 G HA2 . 15528 1 766 . 1 1 75 75 GLY HA3 H 1 4.221 0.05 . 2 . . . . 75 G HA3 . 15528 1 767 . 1 1 75 75 GLY C C 13 173.254 0.15 . 1 . . . . 75 G C . 15528 1 768 . 1 1 75 75 GLY CA C 13 45.162 0.15 . 1 . . . . 75 G CA . 15528 1 769 . 1 1 75 75 GLY N N 15 108.714 0.15 . 1 . . . . 75 G N . 15528 1 770 . 1 1 76 76 HIS H H 1 7.670 0.05 . 1 . . . . 76 H H . 15528 1 771 . 1 1 76 76 HIS HA H 1 5.020 0.05 . 1 . . . . 76 H HA . 15528 1 772 . 1 1 76 76 HIS HB2 H 1 3.038 0.05 . 2 . . . . 76 H HB2 . 15528 1 773 . 1 1 76 76 HIS HB3 H 1 3.216 0.05 . 2 . . . . 76 H HB3 . 15528 1 774 . 1 1 76 76 HIS HD2 H 1 7.204 0.05 . 1 . . . . 76 H HD2 . 15528 1 775 . 1 1 76 76 HIS CA C 13 52.522 0.15 . 1 . . . . 76 H CA . 15528 1 776 . 1 1 76 76 HIS CB C 13 29.410 0.15 . 1 . . . . 76 H CB . 15528 1 777 . 1 1 76 76 HIS N N 15 118.164 0.15 . 1 . . . . 76 H N . 15528 1 778 . 1 1 77 77 PRO HA H 1 4.551 0.05 . 1 . . . . 77 P HA . 15528 1 779 . 1 1 77 77 PRO HB2 H 1 1.451 0.05 . 1 . . . . 77 P HB2 . 15528 1 780 . 1 1 77 77 PRO HD2 H 1 3.677 0.05 . 2 . . . . 77 P HD2 . 15528 1 781 . 1 1 77 77 PRO HD3 H 1 3.566 0.05 . 2 . . . . 77 P HD3 . 15528 1 782 . 1 1 77 77 PRO HG2 H 1 1.803 0.05 . 2 . . . . 77 P HG2 . 15528 1 783 . 1 1 77 77 PRO HG3 H 1 1.517 0.05 . 2 . . . . 77 P HG3 . 15528 1 784 . 1 1 77 77 PRO C C 13 176.458 0.15 . 1 . . . . 77 P C . 15528 1 785 . 1 1 77 77 PRO CA C 13 63.263 0.15 . 1 . . . . 77 P CA . 15528 1 786 . 1 1 77 77 PRO CB C 13 32.077 0.15 . 1 . . . . 77 P CB . 15528 1 787 . 1 1 77 77 PRO CD C 13 50.551 0.15 . 1 . . . . 77 P CD . 15528 1 788 . 1 1 77 77 PRO CG C 13 27.626 0.15 . 1 . . . . 77 P CG . 15528 1 789 . 1 1 78 78 LYS H H 1 8.846 0.05 . 1 . . . . 78 K H . 15528 1 790 . 1 1 78 78 LYS HA H 1 4.772 0.05 . 1 . . . . 78 K HA . 15528 1 791 . 1 1 78 78 LYS HB2 H 1 1.943 0.05 . 2 . . . . 78 K HB2 . 15528 1 792 . 1 1 78 78 LYS HB3 H 1 2.029 0.05 . 2 . . . . 78 K HB3 . 15528 1 793 . 1 1 78 78 LYS HD2 H 1 1.785 0.05 . 1 . . . . 78 K HD2 . 15528 1 794 . 1 1 78 78 LYS HE2 H 1 3.032 0.05 . 1 . . . . 78 K HE2 . 15528 1 795 . 1 1 78 78 LYS HG2 H 1 1.551 0.05 . 1 . . . . 78 K HG2 . 15528 1 796 . 1 1 78 78 LYS CA C 13 55.964 0.15 . 1 . . . . 78 K CA . 15528 1 797 . 1 1 78 78 LYS CB C 13 35.816 0.15 . 1 . . . . 78 K CB . 15528 1 798 . 1 1 78 78 LYS CE C 13 42.160 0.15 . 1 . . . . 78 K CE . 15528 1 799 . 1 1 78 78 LYS N N 15 124.197 0.15 . 1 . . . . 78 K N . 15528 1 800 . 1 1 79 79 GLY H H 1 8.352 0.05 . 1 . . . . 79 G H . 15528 1 801 . 1 1 79 79 GLY HA2 H 1 3.871 0.05 . 2 . . . . 79 G HA2 . 15528 1 802 . 1 1 79 79 GLY HA3 H 1 5.451 0.05 . 2 . . . . 79 G HA3 . 15528 1 803 . 1 1 79 79 GLY C C 13 173.400 0.15 . 1 . . . . 79 G C . 15528 1 804 . 1 1 79 79 GLY CA C 13 45.189 0.15 . 1 . . . . 79 G CA . 15528 1 805 . 1 1 79 79 GLY N N 15 109.568 0.15 . 1 . . . . 79 G N . 15528 1 806 . 1 1 80 80 TYR H H 1 8.856 0.05 . 1 . . . . 80 Y H . 15528 1 807 . 1 1 80 80 TYR HA H 1 4.940 0.05 . 1 . . . . 80 Y HA . 15528 1 808 . 1 1 80 80 TYR HB2 H 1 3.336 0.05 . 2 . . . . 80 Y HB2 . 15528 1 809 . 1 1 80 80 TYR HB3 H 1 2.948 0.05 . 2 . . . . 80 Y HB3 . 15528 1 810 . 1 1 80 80 TYR HD1 H 1 6.823 0.05 . 1 . . . . 80 Y QD . 15528 1 811 . 1 1 80 80 TYR HD2 H 1 6.823 0.05 . 1 . . . . 80 Y QD . 15528 1 812 . 1 1 80 80 TYR HE1 H 1 6.800 0.05 . 1 . . . . 80 Y QE . 15528 1 813 . 1 1 80 80 TYR HE2 H 1 6.800 0.05 . 1 . . . . 80 Y QE . 15528 1 814 . 1 1 80 80 TYR C C 13 171.720 0.15 . 1 . . . . 80 Y C . 15528 1 815 . 1 1 80 80 TYR CA C 13 56.267 0.15 . 1 . . . . 80 Y CA . 15528 1 816 . 1 1 80 80 TYR CB C 13 40.003 0.15 . 1 . . . . 80 Y CB . 15528 1 817 . 1 1 80 80 TYR CE2 C 13 118.245 0.15 . 1 . . . . 80 Y CD2 . 15528 1 818 . 1 1 80 80 TYR N N 15 120.052 0.15 . 1 . . . . 80 Y N . 15528 1 819 . 1 1 81 81 ALA H H 1 9.215 0.05 . 1 . . . . 81 A H . 15528 1 820 . 1 1 81 81 ALA HA H 1 5.386 0.05 . 1 . . . . 81 A HA . 15528 1 821 . 1 1 81 81 ALA HB1 H 1 1.065 0.05 . 1 . . . . 81 A QB . 15528 1 822 . 1 1 81 81 ALA HB2 H 1 1.065 0.05 . 1 . . . . 81 A QB . 15528 1 823 . 1 1 81 81 ALA HB3 H 1 1.065 0.05 . 1 . . . . 81 A QB . 15528 1 824 . 1 1 81 81 ALA C C 13 175.357 0.15 . 1 . . . . 81 A C . 15528 1 825 . 1 1 81 81 ALA CA C 13 50.089 0.15 . 1 . . . . 81 A CA . 15528 1 826 . 1 1 81 81 ALA CB C 13 24.030 0.15 . 1 . . . . 81 A CB . 15528 1 827 . 1 1 81 81 ALA N N 15 120.138 0.15 . 1 . . . . 81 A N . 15528 1 828 . 1 1 82 82 TYR H H 1 8.974 0.05 . 1 . . . . 82 Y H . 15528 1 829 . 1 1 82 82 TYR HA H 1 5.885 0.05 . 1 . . . . 82 Y HA . 15528 1 830 . 1 1 82 82 TYR HB2 H 1 3.061 0.05 . 2 . . . . 82 Y HB2 . 15528 1 831 . 1 1 82 82 TYR HB3 H 1 2.684 0.05 . 2 . . . . 82 Y HB3 . 15528 1 832 . 1 1 82 82 TYR HD1 H 1 7.083 0.05 . 4 . . . . 82 Y QD . 15528 1 833 . 1 1 82 82 TYR HD2 H 1 7.083 0.05 . 4 . . . . 82 Y QD . 15528 1 834 . 1 1 82 82 TYR HE1 H 1 6.987 0.05 . 4 . . . . 82 Y QE . 15528 1 835 . 1 1 82 82 TYR HE2 H 1 6.987 0.05 . 4 . . . . 82 Y QE . 15528 1 836 . 1 1 82 82 TYR C C 13 176.232 0.15 . 1 . . . . 82 Y C . 15528 1 837 . 1 1 82 82 TYR CA C 13 55.626 0.15 . 1 . . . . 82 Y CA . 15528 1 838 . 1 1 82 82 TYR CB C 13 41.536 0.15 . 1 . . . . 82 Y CB . 15528 1 839 . 1 1 82 82 TYR N N 15 114.621 0.15 . 1 . . . . 82 Y N . 15528 1 840 . 1 1 83 83 ILE H H 1 8.644 0.05 . 1 . . . . 83 I H . 15528 1 841 . 1 1 83 83 ILE HA H 1 4.275 0.05 . 1 . . . . 83 I HA . 15528 1 842 . 1 1 83 83 ILE HB H 1 1.175 0.05 . 1 . . . . 83 I HB . 15528 1 843 . 1 1 83 83 ILE HD11 H 1 0.022 0.05 . 1 . . . . 83 I QD1 . 15528 1 844 . 1 1 83 83 ILE HD12 H 1 0.022 0.05 . 1 . . . . 83 I QD1 . 15528 1 845 . 1 1 83 83 ILE HD13 H 1 0.022 0.05 . 1 . . . . 83 I QD1 . 15528 1 846 . 1 1 83 83 ILE HG12 H 1 0.924 0.05 . 1 . . . . 83 I HG12 . 15528 1 847 . 1 1 83 83 ILE HG13 H 1 0.624 0.05 . 1 . . . . 83 I HG13 . 15528 1 848 . 1 1 83 83 ILE HG21 H 1 -0.181 0.05 . 1 . . . . 83 I QG2 . 15528 1 849 . 1 1 83 83 ILE HG22 H 1 -0.181 0.05 . 1 . . . . 83 I QG2 . 15528 1 850 . 1 1 83 83 ILE HG23 H 1 -0.181 0.05 . 1 . . . . 83 I QG2 . 15528 1 851 . 1 1 83 83 ILE C C 13 173.516 0.15 . 1 . . . . 83 I C . 15528 1 852 . 1 1 83 83 ILE CA C 13 60.345 0.15 . 1 . . . . 83 I CA . 15528 1 853 . 1 1 83 83 ILE CB C 13 39.535 0.15 . 1 . . . . 83 I CB . 15528 1 854 . 1 1 83 83 ILE CD1 C 13 13.863 0.15 . 1 . . . . 83 I CD1 . 15528 1 855 . 1 1 83 83 ILE CG1 C 13 26.737 0.15 . 1 . . . . 83 I CG1 . 15528 1 856 . 1 1 83 83 ILE CG2 C 13 17.227 0.15 . 1 . . . . 83 I CG2 . 15528 1 857 . 1 1 83 83 ILE N N 15 122.447 0.15 . 1 . . . . 83 I N . 15528 1 858 . 1 1 84 84 GLU H H 1 8.612 0.05 . 1 . . . . 84 E H . 15528 1 859 . 1 1 84 84 GLU HA H 1 4.801 0.05 . 1 . . . . 84 E HA . 15528 1 860 . 1 1 84 84 GLU HB2 H 1 1.982 0.05 . 2 . . . . 84 E HB2 . 15528 1 861 . 1 1 84 84 GLU HB3 H 1 1.764 0.05 . 2 . . . . 84 E HB3 . 15528 1 862 . 1 1 84 84 GLU C C 13 176.111 0.15 . 1 . . . . 84 E C . 15528 1 863 . 1 1 84 84 GLU CA C 13 54.496 0.15 . 1 . . . . 84 E CA . 15528 1 864 . 1 1 84 84 GLU CB C 13 31.499 0.15 . 1 . . . . 84 E CB . 15528 1 865 . 1 1 84 84 GLU N N 15 127.346 0.15 . 1 . . . . 84 E N . 15528 1 866 . 1 1 85 85 PHE H H 1 9.087 0.05 . 1 . . . . 85 F H . 15528 1 867 . 1 1 85 85 PHE HA H 1 4.817 0.05 . 1 . . . . 85 F HA . 15528 1 868 . 1 1 85 85 PHE HB2 H 1 3.103 0.05 . 2 . . . . 85 F HB2 . 15528 1 869 . 1 1 85 85 PHE HB3 H 1 3.577 0.05 . 2 . . . . 85 F HB3 . 15528 1 870 . 1 1 85 85 PHE HD1 H 1 7.153 0.05 . 4 . . . . 85 F QD . 15528 1 871 . 1 1 85 85 PHE HD2 H 1 7.153 0.05 . 4 . . . . 85 F QD . 15528 1 872 . 1 1 85 85 PHE HE1 H 1 7.040 0.05 . 4 . . . . 85 F QE . 15528 1 873 . 1 1 85 85 PHE HE2 H 1 7.040 0.05 . 4 . . . . 85 F QE . 15528 1 874 . 1 1 85 85 PHE HZ H 1 6.927 0.05 . 4 . . . . 85 F HZ . 15528 1 875 . 1 1 85 85 PHE C C 13 174.422 0.15 . 1 . . . . 85 F C . 15528 1 876 . 1 1 85 85 PHE CA C 13 59.072 0.15 . 1 . . . . 85 F CA . 15528 1 877 . 1 1 85 85 PHE CB C 13 40.765 0.15 . 1 . . . . 85 F CB . 15528 1 878 . 1 1 85 85 PHE N N 15 128.049 0.15 . 1 . . . . 85 F N . 15528 1 879 . 1 1 86 86 ALA H H 1 8.192 0.05 . 1 . . . . 86 A H . 15528 1 880 . 1 1 86 86 ALA HA H 1 4.239 0.05 . 1 . . . . 86 A HA . 15528 1 881 . 1 1 86 86 ALA HB1 H 1 1.450 0.05 . 1 . . . . 86 A QB . 15528 1 882 . 1 1 86 86 ALA HB2 H 1 1.450 0.05 . 1 . . . . 86 A QB . 15528 1 883 . 1 1 86 86 ALA HB3 H 1 1.450 0.05 . 1 . . . . 86 A QB . 15528 1 884 . 1 1 86 86 ALA C C 13 178.143 0.15 . 1 . . . . 86 A C . 15528 1 885 . 1 1 86 86 ALA CA C 13 54.524 0.15 . 1 . . . . 86 A CA . 15528 1 886 . 1 1 86 86 ALA CB C 13 19.510 0.15 . 1 . . . . 86 A CB . 15528 1 887 . 1 1 86 86 ALA N N 15 120.669 0.15 . 1 . . . . 86 A N . 15528 1 888 . 1 1 87 87 GLU H H 1 8.455 0.05 . 1 . . . . 87 E H . 15528 1 889 . 1 1 87 87 GLU HA H 1 4.765 0.05 . 1 . . . . 87 E HA . 15528 1 890 . 1 1 87 87 GLU HB2 H 1 1.994 0.05 . 2 . . . . 87 E HB2 . 15528 1 891 . 1 1 87 87 GLU HB3 H 1 2.291 0.05 . 2 . . . . 87 E HB3 . 15528 1 892 . 1 1 87 87 GLU HG2 H 1 2.347 0.05 . 1 . . . . 87 E HG2 . 15528 1 893 . 1 1 87 87 GLU C C 13 176.472 0.15 . 1 . . . . 87 E C . 15528 1 894 . 1 1 87 87 GLU CA C 13 54.353 0.15 . 1 . . . . 87 E CA . 15528 1 895 . 1 1 87 87 GLU CB C 13 32.624 0.15 . 1 . . . . 87 E CB . 15528 1 896 . 1 1 87 87 GLU CG C 13 35.662 0.15 . 1 . . . . 87 E CG . 15528 1 897 . 1 1 87 87 GLU N N 15 114.204 0.15 . 1 . . . . 87 E N . 15528 1 898 . 1 1 88 88 ARG H H 1 8.917 0.05 . 1 . . . . 88 R H . 15528 1 899 . 1 1 88 88 ARG HA H 1 3.961 0.05 . 1 . . . . 88 R HA . 15528 1 900 . 1 1 88 88 ARG HB2 H 1 1.964 0.05 . 2 . . . . 88 R HB2 . 15528 1 901 . 1 1 88 88 ARG HB3 H 1 1.905 0.05 . 2 . . . . 88 R HB3 . 15528 1 902 . 1 1 88 88 ARG HD2 H 1 3.299 0.05 . 2 . . . . 88 R HD2 . 15528 1 903 . 1 1 88 88 ARG HD3 H 1 3.200 0.05 . 2 . . . . 88 R HD3 . 15528 1 904 . 1 1 88 88 ARG HG2 H 1 1.791 0.05 . 1 . . . . 88 R HG2 . 15528 1 905 . 1 1 88 88 ARG C C 13 178.900 0.15 . 1 . . . . 88 R C . 15528 1 906 . 1 1 88 88 ARG CA C 13 59.548 0.15 . 1 . . . . 88 R CA . 15528 1 907 . 1 1 88 88 ARG CB C 13 30.073 0.15 . 1 . . . . 88 R CB . 15528 1 908 . 1 1 88 88 ARG CD C 13 43.606 0.15 . 1 . . . . 88 R CD . 15528 1 909 . 1 1 88 88 ARG CG C 13 27.016 0.15 . 1 . . . . 88 R CG . 15528 1 910 . 1 1 88 88 ARG N N 15 121.592 0.15 . 1 . . . . 88 R N . 15528 1 911 . 1 1 89 89 ASN H H 1 8.845 0.05 . 1 . . . . 89 N H . 15528 1 912 . 1 1 89 89 ASN HA H 1 4.497 0.05 . 1 . . . . 89 N HA . 15528 1 913 . 1 1 89 89 ASN HB2 H 1 2.880 0.05 . 1 . . . . 89 N HB2 . 15528 1 914 . 1 1 89 89 ASN HD21 H 1 6.872 0.05 . 2 . . . . 89 N HD21 . 15528 1 915 . 1 1 89 89 ASN HD22 H 1 7.628 0.05 . 2 . . . . 89 N HD22 . 15528 1 916 . 1 1 89 89 ASN C C 13 177.179 0.15 . 1 . . . . 89 N C . 15528 1 917 . 1 1 89 89 ASN CA C 13 55.861 0.15 . 1 . . . . 89 N CA . 15528 1 918 . 1 1 89 89 ASN CB C 13 37.330 0.15 . 1 . . . . 89 N CB . 15528 1 919 . 1 1 89 89 ASN N N 15 116.555 0.15 . 1 . . . . 89 N N . 15528 1 920 . 1 1 89 89 ASN ND2 N 15 112.193 0.15 . 1 . . . . 89 N ND2 . 15528 1 921 . 1 1 90 90 SER H H 1 7.513 0.05 . 1 . . . . 90 S H . 15528 1 922 . 1 1 90 90 SER HA H 1 4.006 0.05 . 1 . . . . 90 S HA . 15528 1 923 . 1 1 90 90 SER HB2 H 1 2.450 0.05 . 2 . . . . 90 S HB2 . 15528 1 924 . 1 1 90 90 SER HB3 H 1 3.347 0.05 . 2 . . . . 90 S HB3 . 15528 1 925 . 1 1 90 90 SER C C 13 174.511 0.15 . 1 . . . . 90 S C . 15528 1 926 . 1 1 90 90 SER CA C 13 61.395 0.15 . 1 . . . . 90 S CA . 15528 1 927 . 1 1 90 90 SER CB C 13 63.424 0.15 . 1 . . . . 90 S CB . 15528 1 928 . 1 1 90 90 SER N N 15 116.007 0.15 . 1 . . . . 90 S N . 15528 1 929 . 1 1 91 91 VAL H H 1 7.653 0.05 . 1 . . . . 91 V H . 15528 1 930 . 1 1 91 91 VAL HA H 1 3.201 0.05 . 1 . . . . 91 V HA . 15528 1 931 . 1 1 91 91 VAL HB H 1 2.288 0.05 . 1 . . . . 91 V HB . 15528 1 932 . 1 1 91 91 VAL HG11 H 1 1.145 0.05 . 2 . . . . 91 V QG1 . 15528 1 933 . 1 1 91 91 VAL HG12 H 1 1.145 0.05 . 2 . . . . 91 V QG1 . 15528 1 934 . 1 1 91 91 VAL HG13 H 1 1.145 0.05 . 2 . . . . 91 V QG1 . 15528 1 935 . 1 1 91 91 VAL HG21 H 1 0.956 0.05 . 2 . . . . 91 V QG2 . 15528 1 936 . 1 1 91 91 VAL HG22 H 1 0.956 0.05 . 2 . . . . 91 V QG2 . 15528 1 937 . 1 1 91 91 VAL HG23 H 1 0.956 0.05 . 2 . . . . 91 V QG2 . 15528 1 938 . 1 1 91 91 VAL C C 13 176.991 0.15 . 1 . . . . 91 V C . 15528 1 939 . 1 1 91 91 VAL CA C 13 66.851 0.15 . 1 . . . . 91 V CA . 15528 1 940 . 1 1 91 91 VAL CB C 13 31.599 0.15 . 1 . . . . 91 V CB . 15528 1 941 . 1 1 91 91 VAL CG1 C 13 23.419 0.15 . 2 . . . . 91 V CG1 . 15528 1 942 . 1 1 91 91 VAL CG2 C 13 20.358 0.15 . 2 . . . . 91 V CG2 . 15528 1 943 . 1 1 91 91 VAL N N 15 119.934 0.15 . 1 . . . . 91 V N . 15528 1 944 . 1 1 92 92 ASP H H 1 7.192 0.05 . 1 . . . . 92 D H . 15528 1 945 . 1 1 92 92 ASP HA H 1 4.321 0.05 . 1 . . . . 92 D HA . 15528 1 946 . 1 1 92 92 ASP HB2 H 1 2.682 0.05 . 1 . . . . 92 D HB2 . 15528 1 947 . 1 1 92 92 ASP C C 13 178.585 0.15 . 1 . . . . 92 D C . 15528 1 948 . 1 1 92 92 ASP CA C 13 57.401 0.15 . 1 . . . . 92 D CA . 15528 1 949 . 1 1 92 92 ASP CB C 13 40.078 0.15 . 1 . . . . 92 D CB . 15528 1 950 . 1 1 92 92 ASP N N 15 117.084 0.15 . 1 . . . . 92 D N . 15528 1 951 . 1 1 93 93 ALA H H 1 6.946 0.05 . 1 . . . . 93 A H . 15528 1 952 . 1 1 93 93 ALA HA H 1 4.186 0.05 . 1 . . . . 93 A HA . 15528 1 953 . 1 1 93 93 ALA HB1 H 1 1.502 0.05 . 1 . . . . 93 A QB . 15528 1 954 . 1 1 93 93 ALA HB2 H 1 1.502 0.05 . 1 . . . . 93 A QB . 15528 1 955 . 1 1 93 93 ALA HB3 H 1 1.502 0.05 . 1 . . . . 93 A QB . 15528 1 956 . 1 1 93 93 ALA C C 13 179.272 0.15 . 1 . . . . 93 A C . 15528 1 957 . 1 1 93 93 ALA CA C 13 54.445 0.15 . 1 . . . . 93 A CA . 15528 1 958 . 1 1 93 93 ALA CB C 13 18.164 0.15 . 1 . . . . 93 A CB . 15528 1 959 . 1 1 93 93 ALA N N 15 121.045 0.15 . 1 . . . . 93 A N . 15528 1 960 . 1 1 94 94 ALA H H 1 8.033 0.05 . 1 . . . . 94 A H . 15528 1 961 . 1 1 94 94 ALA HA H 1 4.545 0.05 . 1 . . . . 94 A HA . 15528 1 962 . 1 1 94 94 ALA HB1 H 1 1.639 0.05 . 1 . . . . 94 A QB . 15528 1 963 . 1 1 94 94 ALA HB2 H 1 1.639 0.05 . 1 . . . . 94 A QB . 15528 1 964 . 1 1 94 94 ALA HB3 H 1 1.639 0.05 . 1 . . . . 94 A QB . 15528 1 965 . 1 1 94 94 ALA C C 13 180.529 0.15 . 1 . . . . 94 A C . 15528 1 966 . 1 1 94 94 ALA CA C 13 55.518 0.15 . 1 . . . . 94 A CA . 15528 1 967 . 1 1 94 94 ALA CB C 13 19.455 0.15 . 1 . . . . 94 A CB . 15528 1 968 . 1 1 94 94 ALA N N 15 122.191 0.15 . 1 . . . . 94 A N . 15528 1 969 . 1 1 95 95 VAL H H 1 8.565 0.05 . 1 . . . . 95 V H . 15528 1 970 . 1 1 95 95 VAL HA H 1 3.741 0.05 . 1 . . . . 95 V HA . 15528 1 971 . 1 1 95 95 VAL HB H 1 2.337 0.05 . 1 . . . . 95 V HB . 15528 1 972 . 1 1 95 95 VAL HG11 H 1 1.084 0.05 . 2 . . . . 95 V QG1 . 15528 1 973 . 1 1 95 95 VAL HG12 H 1 1.084 0.05 . 2 . . . . 95 V QG1 . 15528 1 974 . 1 1 95 95 VAL HG13 H 1 1.084 0.05 . 2 . . . . 95 V QG1 . 15528 1 975 . 1 1 95 95 VAL HG21 H 1 1.094 0.05 . 2 . . . . 95 V QG2 . 15528 1 976 . 1 1 95 95 VAL HG22 H 1 1.094 0.05 . 2 . . . . 95 V QG2 . 15528 1 977 . 1 1 95 95 VAL HG23 H 1 1.094 0.05 . 2 . . . . 95 V QG2 . 15528 1 978 . 1 1 95 95 VAL C C 13 178.767 0.15 . 1 . . . . 95 V C . 15528 1 979 . 1 1 95 95 VAL CA C 13 65.820 0.15 . 1 . . . . 95 V CA . 15528 1 980 . 1 1 95 95 VAL CB C 13 31.501 0.15 . 1 . . . . 95 V CB . 15528 1 981 . 1 1 95 95 VAL CG1 C 13 22.591 0.15 . 2 . . . . 95 V CG1 . 15528 1 982 . 1 1 95 95 VAL CG2 C 13 21.697 0.15 . 2 . . . . 95 V CG2 . 15528 1 983 . 1 1 95 95 VAL N N 15 117.405 0.15 . 1 . . . . 95 V N . 15528 1 984 . 1 1 96 96 ALA H H 1 7.354 0.05 . 1 . . . . 96 A H . 15528 1 985 . 1 1 96 96 ALA HA H 1 4.403 0.05 . 1 . . . . 96 A HA . 15528 1 986 . 1 1 96 96 ALA HB1 H 1 1.571 0.05 . 1 . . . . 96 A QB . 15528 1 987 . 1 1 96 96 ALA HB2 H 1 1.571 0.05 . 1 . . . . 96 A QB . 15528 1 988 . 1 1 96 96 ALA HB3 H 1 1.571 0.05 . 1 . . . . 96 A QB . 15528 1 989 . 1 1 96 96 ALA C C 13 178.242 0.15 . 1 . . . . 96 A C . 15528 1 990 . 1 1 96 96 ALA CA C 13 53.916 0.15 . 1 . . . . 96 A CA . 15528 1 991 . 1 1 96 96 ALA CB C 13 17.841 0.15 . 1 . . . . 96 A CB . 15528 1 992 . 1 1 96 96 ALA N N 15 122.769 0.15 . 1 . . . . 96 A N . 15528 1 993 . 1 1 97 97 MET H H 1 7.980 0.05 . 1 . . . . 97 M H . 15528 1 994 . 1 1 97 97 MET HA H 1 4.471 0.05 . 1 . . . . 97 M HA . 15528 1 995 . 1 1 97 97 MET HB2 H 1 2.491 0.05 . 2 . . . . 97 M HB2 . 15528 1 996 . 1 1 97 97 MET HB3 H 1 2.141 0.05 . 2 . . . . 97 M HB3 . 15528 1 997 . 1 1 97 97 MET HE1 H 1 1.571 0.05 . 1 . . . . 97 M QE . 15528 1 998 . 1 1 97 97 MET HE2 H 1 1.571 0.05 . 1 . . . . 97 M QE . 15528 1 999 . 1 1 97 97 MET HE3 H 1 1.571 0.05 . 1 . . . . 97 M QE . 15528 1 1000 . 1 1 97 97 MET HG2 H 1 2.418 0.05 . 2 . . . . 97 M HG2 . 15528 1 1001 . 1 1 97 97 MET HG3 H 1 2.534 0.05 . 2 . . . . 97 M HG3 . 15528 1 1002 . 1 1 97 97 MET C C 13 175.959 0.15 . 1 . . . . 97 M C . 15528 1 1003 . 1 1 97 97 MET CA C 13 55.150 0.15 . 1 . . . . 97 M CA . 15528 1 1004 . 1 1 97 97 MET CB C 13 31.663 0.15 . 1 . . . . 97 M CB . 15528 1 1005 . 1 1 97 97 MET CE C 13 17.176 0.15 . 1 . . . . 97 M CE . 15528 1 1006 . 1 1 97 97 MET CG C 13 32.439 0.15 . 1 . . . . 97 M CG . 15528 1 1007 . 1 1 97 97 MET N N 15 115.573 0.15 . 1 . . . . 97 M N . 15528 1 1008 . 1 1 98 98 ASP H H 1 7.852 0.05 . 1 . . . . 98 D H . 15528 1 1009 . 1 1 98 98 ASP HA H 1 4.422 0.05 . 1 . . . . 98 D HA . 15528 1 1010 . 1 1 98 98 ASP HB2 H 1 2.702 0.05 . 2 . . . . 98 D HB2 . 15528 1 1011 . 1 1 98 98 ASP HB3 H 1 3.484 0.05 . 2 . . . . 98 D HB3 . 15528 1 1012 . 1 1 98 98 ASP C C 13 175.976 0.15 . 1 . . . . 98 D C . 15528 1 1013 . 1 1 98 98 ASP CA C 13 57.476 0.15 . 1 . . . . 98 D CA . 15528 1 1014 . 1 1 98 98 ASP CB C 13 42.008 0.15 . 1 . . . . 98 D CB . 15528 1 1015 . 1 1 98 98 ASP N N 15 121.576 0.15 . 1 . . . . 98 D N . 15528 1 1016 . 1 1 99 99 GLU H H 1 8.643 0.05 . 1 . . . . 99 E H . 15528 1 1017 . 1 1 99 99 GLU HA H 1 4.154 0.05 . 1 . . . . 99 E HA . 15528 1 1018 . 1 1 99 99 GLU HB2 H 1 2.327 0.05 . 2 . . . . 99 E HB2 . 15528 1 1019 . 1 1 99 99 GLU HB3 H 1 2.272 0.05 . 2 . . . . 99 E HB3 . 15528 1 1020 . 1 1 99 99 GLU HG2 H 1 2.449 0.05 . 2 . . . . 99 E HG2 . 15528 1 1021 . 1 1 99 99 GLU HG3 H 1 2.252 0.05 . 2 . . . . 99 E HG3 . 15528 1 1022 . 1 1 99 99 GLU C C 13 176.369 0.15 . 1 . . . . 99 E C . 15528 1 1023 . 1 1 99 99 GLU CA C 13 58.403 0.15 . 1 . . . . 99 E CA . 15528 1 1024 . 1 1 99 99 GLU CB C 13 26.214 0.15 . 1 . . . . 99 E CB . 15528 1 1025 . 1 1 99 99 GLU CG C 13 36.160 0.15 . 1 . . . . 99 E CG . 15528 1 1026 . 1 1 99 99 GLU N N 15 119.455 0.15 . 1 . . . . 99 E N . 15528 1 1027 . 1 1 100 100 THR H H 1 7.416 0.05 . 1 . . . . 100 T H . 15528 1 1028 . 1 1 100 100 THR HA H 1 4.498 0.05 . 1 . . . . 100 T HA . 15528 1 1029 . 1 1 100 100 THR HB H 1 4.514 0.05 . 1 . . . . 100 T HB . 15528 1 1030 . 1 1 100 100 THR HG21 H 1 1.324 0.05 . 1 . . . . 100 T QG2 . 15528 1 1031 . 1 1 100 100 THR HG22 H 1 1.324 0.05 . 1 . . . . 100 T QG2 . 15528 1 1032 . 1 1 100 100 THR HG23 H 1 1.324 0.05 . 1 . . . . 100 T QG2 . 15528 1 1033 . 1 1 100 100 THR C C 13 172.876 0.15 . 1 . . . . 100 T C . 15528 1 1034 . 1 1 100 100 THR CA C 13 61.065 0.15 . 1 . . . . 100 T CA . 15528 1 1035 . 1 1 100 100 THR CB C 13 72.140 0.15 . 1 . . . . 100 T CB . 15528 1 1036 . 1 1 100 100 THR CG2 C 13 22.672 0.15 . 1 . . . . 100 T CG2 . 15528 1 1037 . 1 1 100 100 THR N N 15 107.670 0.15 . 1 . . . . 100 T N . 15528 1 1038 . 1 1 101 101 VAL H H 1 8.252 0.05 . 1 . . . . 101 V H . 15528 1 1039 . 1 1 101 101 VAL HA H 1 4.638 0.05 . 1 . . . . 101 V HA . 15528 1 1040 . 1 1 101 101 VAL HB H 1 1.901 0.05 . 1 . . . . 101 V HB . 15528 1 1041 . 1 1 101 101 VAL HG11 H 1 0.890 0.05 . 2 . . . . 101 V QG1 . 15528 1 1042 . 1 1 101 101 VAL HG12 H 1 0.890 0.05 . 2 . . . . 101 V QG1 . 15528 1 1043 . 1 1 101 101 VAL HG13 H 1 0.890 0.05 . 2 . . . . 101 V QG1 . 15528 1 1044 . 1 1 101 101 VAL HG21 H 1 0.731 0.05 . 2 . . . . 101 V QG2 . 15528 1 1045 . 1 1 101 101 VAL HG22 H 1 0.731 0.05 . 2 . . . . 101 V QG2 . 15528 1 1046 . 1 1 101 101 VAL HG23 H 1 0.731 0.05 . 2 . . . . 101 V QG2 . 15528 1 1047 . 1 1 101 101 VAL C C 13 176.138 0.15 . 1 . . . . 101 V C . 15528 1 1048 . 1 1 101 101 VAL CA C 13 62.299 0.15 . 1 . . . . 101 V CA . 15528 1 1049 . 1 1 101 101 VAL CB C 13 32.215 0.15 . 1 . . . . 101 V CB . 15528 1 1050 . 1 1 101 101 VAL CG1 C 13 21.743 0.15 . 2 . . . . 101 V CG1 . 15528 1 1051 . 1 1 101 101 VAL CG2 C 13 21.163 0.15 . 2 . . . . 101 V CG2 . 15528 1 1052 . 1 1 101 101 VAL N N 15 118.227 0.15 . 1 . . . . 101 V N . 15528 1 1053 . 1 1 102 102 PHE H H 1 9.300 0.05 . 1 . . . . 102 F H . 15528 1 1054 . 1 1 102 102 PHE HA H 1 4.671 0.05 . 1 . . . . 102 F HA . 15528 1 1055 . 1 1 102 102 PHE HB2 H 1 2.104 0.05 . 2 . . . . 102 F HB2 . 15528 1 1056 . 1 1 102 102 PHE HB3 H 1 2.703 0.05 . 2 . . . . 102 F HB3 . 15528 1 1057 . 1 1 102 102 PHE HD1 H 1 6.967 0.05 . 4 . . . . 102 F QD . 15528 1 1058 . 1 1 102 102 PHE HD2 H 1 6.967 0.05 . 4 . . . . 102 F QD . 15528 1 1059 . 1 1 102 102 PHE HE1 H 1 7.054 0.05 . 4 . . . . 102 F QE . 15528 1 1060 . 1 1 102 102 PHE HE2 H 1 7.054 0.05 . 4 . . . . 102 F QE . 15528 1 1061 . 1 1 102 102 PHE C C 13 174.216 0.15 . 1 . . . . 102 F C . 15528 1 1062 . 1 1 102 102 PHE CA C 13 56.205 0.15 . 1 . . . . 102 F CA . 15528 1 1063 . 1 1 102 102 PHE CB C 13 41.707 0.15 . 1 . . . . 102 F CB . 15528 1 1064 . 1 1 102 102 PHE N N 15 128.863 0.15 . 1 . . . . 102 F N . 15528 1 1065 . 1 1 103 103 ARG H H 1 9.167 0.05 . 1 . . . . 103 R H . 15528 1 1066 . 1 1 103 103 ARG HA H 1 3.389 0.05 . 1 . . . . 103 R HA . 15528 1 1067 . 1 1 103 103 ARG HB2 H 1 1.709 0.05 . 2 . . . . 103 R HB2 . 15528 1 1068 . 1 1 103 103 ARG HB3 H 1 0.946 0.05 . 2 . . . . 103 R HB3 . 15528 1 1069 . 1 1 103 103 ARG HD2 H 1 2.717 0.05 . 2 . . . . 103 R HD2 . 15528 1 1070 . 1 1 103 103 ARG HD3 H 1 3.040 0.05 . 2 . . . . 103 R HD3 . 15528 1 1071 . 1 1 103 103 ARG HE H 1 7.515 0.05 . 1 . . . . 103 R HE . 15528 1 1072 . 1 1 103 103 ARG HG2 H 1 0.879 0.05 . 2 . . . . 103 R HG2 . 15528 1 1073 . 1 1 103 103 ARG HG3 H 1 0.198 0.05 . 2 . . . . 103 R HG3 . 15528 1 1074 . 1 1 103 103 ARG HH11 H 1 6.555 0.05 . 4 . . . . 103 R HH11 . 15528 1 1075 . 1 1 103 103 ARG C C 13 176.014 0.15 . 1 . . . . 103 R C . 15528 1 1076 . 1 1 103 103 ARG CA C 13 57.215 0.15 . 1 . . . . 103 R CA . 15528 1 1077 . 1 1 103 103 ARG CB C 13 27.382 0.15 . 1 . . . . 103 R CB . 15528 1 1078 . 1 1 103 103 ARG CD C 13 42.874 0.15 . 1 . . . . 103 R CD . 15528 1 1079 . 1 1 103 103 ARG CG C 13 26.890 0.15 . 1 . . . . 103 R CG . 15528 1 1080 . 1 1 103 103 ARG N N 15 128.268 0.15 . 1 . . . . 103 R N . 15528 1 1081 . 1 1 103 103 ARG NE N 15 83.161 0.15 . 1 . . . . 103 R NE . 15528 1 1082 . 1 1 104 104 GLY H H 1 8.005 0.05 . 1 . . . . 104 G H . 15528 1 1083 . 1 1 104 104 GLY HA2 H 1 4.006 0.05 . 2 . . . . 104 G HA2 . 15528 1 1084 . 1 1 104 104 GLY HA3 H 1 3.455 0.05 . 2 . . . . 104 G HA3 . 15528 1 1085 . 1 1 104 104 GLY C C 13 173.766 0.15 . 1 . . . . 104 G C . 15528 1 1086 . 1 1 104 104 GLY CA C 13 45.598 0.15 . 1 . . . . 104 G CA . 15528 1 1087 . 1 1 104 104 GLY N N 15 101.324 0.15 . 1 . . . . 104 G N . 15528 1 1088 . 1 1 105 105 ARG H H 1 7.681 0.05 . 1 . . . . 105 R H . 15528 1 1089 . 1 1 105 105 ARG HA H 1 4.735 0.05 . 1 . . . . 105 R HA . 15528 1 1090 . 1 1 105 105 ARG HB2 H 1 1.950 0.05 . 2 . . . . 105 R HB2 . 15528 1 1091 . 1 1 105 105 ARG HB3 H 1 1.803 0.05 . 2 . . . . 105 R HB3 . 15528 1 1092 . 1 1 105 105 ARG HD2 H 1 3.075 0.05 . 2 . . . . 105 R HD2 . 15528 1 1093 . 1 1 105 105 ARG HD3 H 1 3.163 0.05 . 2 . . . . 105 R HD3 . 15528 1 1094 . 1 1 105 105 ARG HE H 1 7.171 0.05 . 1 . . . . 105 R HE . 15528 1 1095 . 1 1 105 105 ARG HG2 H 1 1.624 0.05 . 2 . . . . 105 R HG2 . 15528 1 1096 . 1 1 105 105 ARG HG3 H 1 1.590 0.05 . 2 . . . . 105 R HG3 . 15528 1 1097 . 1 1 105 105 ARG C C 13 174.543 0.15 . 1 . . . . 105 R C . 15528 1 1098 . 1 1 105 105 ARG CA C 13 54.071 0.15 . 1 . . . . 105 R CA . 15528 1 1099 . 1 1 105 105 ARG CB C 13 33.159 0.15 . 1 . . . . 105 R CB . 15528 1 1100 . 1 1 105 105 ARG CD C 13 43.265 0.15 . 1 . . . . 105 R CD . 15528 1 1101 . 1 1 105 105 ARG CG C 13 27.272 0.15 . 1 . . . . 105 R CG . 15528 1 1102 . 1 1 105 105 ARG N N 15 119.837 0.15 . 1 . . . . 105 R N . 15528 1 1103 . 1 1 105 105 ARG NE N 15 84.791 0.15 . 1 . . . . 105 R NE . 15528 1 1104 . 1 1 106 106 THR H H 1 8.604 0.05 . 1 . . . . 106 T H . 15528 1 1105 . 1 1 106 106 THR HA H 1 4.593 0.05 . 1 . . . . 106 T HA . 15528 1 1106 . 1 1 106 106 THR HB H 1 4.016 0.05 . 1 . . . . 106 T HB . 15528 1 1107 . 1 1 106 106 THR HG21 H 1 1.123 0.05 . 1 . . . . 106 T QG2 . 15528 1 1108 . 1 1 106 106 THR HG22 H 1 1.123 0.05 . 1 . . . . 106 T QG2 . 15528 1 1109 . 1 1 106 106 THR HG23 H 1 1.123 0.05 . 1 . . . . 106 T QG2 . 15528 1 1110 . 1 1 106 106 THR C C 13 175.643 0.15 . 1 . . . . 106 T C . 15528 1 1111 . 1 1 106 106 THR CA C 13 62.821 0.15 . 1 . . . . 106 T CA . 15528 1 1112 . 1 1 106 106 THR CB C 13 68.784 0.15 . 1 . . . . 106 T CB . 15528 1 1113 . 1 1 106 106 THR CG2 C 13 21.971 0.15 . 1 . . . . 106 T CG2 . 15528 1 1114 . 1 1 106 106 THR N N 15 118.251 0.15 . 1 . . . . 106 T N . 15528 1 1115 . 1 1 107 107 ILE H H 1 8.756 0.05 . 1 . . . . 107 I H . 15528 1 1116 . 1 1 107 107 ILE HA H 1 4.884 0.05 . 1 . . . . 107 I HA . 15528 1 1117 . 1 1 107 107 ILE HB H 1 2.003 0.05 . 1 . . . . 107 I HB . 15528 1 1118 . 1 1 107 107 ILE HD11 H 1 0.651 0.05 . 1 . . . . 107 I QD1 . 15528 1 1119 . 1 1 107 107 ILE HD12 H 1 0.651 0.05 . 1 . . . . 107 I QD1 . 15528 1 1120 . 1 1 107 107 ILE HD13 H 1 0.651 0.05 . 1 . . . . 107 I QD1 . 15528 1 1121 . 1 1 107 107 ILE HG12 H 1 1.531 0.05 . 1 . . . . 107 I HG12 . 15528 1 1122 . 1 1 107 107 ILE HG13 H 1 1.401 0.05 . 1 . . . . 107 I HG13 . 15528 1 1123 . 1 1 107 107 ILE HG21 H 1 1.007 0.05 . 1 . . . . 107 I QG2 . 15528 1 1124 . 1 1 107 107 ILE HG22 H 1 1.007 0.05 . 1 . . . . 107 I QG2 . 15528 1 1125 . 1 1 107 107 ILE HG23 H 1 1.007 0.05 . 1 . . . . 107 I QG2 . 15528 1 1126 . 1 1 107 107 ILE C C 13 174.877 0.15 . 1 . . . . 107 I C . 15528 1 1127 . 1 1 107 107 ILE CA C 13 60.834 0.15 . 1 . . . . 107 I CA . 15528 1 1128 . 1 1 107 107 ILE CB C 13 40.644 0.15 . 1 . . . . 107 I CB . 15528 1 1129 . 1 1 107 107 ILE CD1 C 13 14.901 0.15 . 1 . . . . 107 I CD1 . 15528 1 1130 . 1 1 107 107 ILE CG1 C 13 24.838 0.15 . 1 . . . . 107 I CG1 . 15528 1 1131 . 1 1 107 107 ILE CG2 C 13 19.019 0.15 . 1 . . . . 107 I CG2 . 15528 1 1132 . 1 1 107 107 ILE N N 15 123.422 0.15 . 1 . . . . 107 I N . 15528 1 1133 . 1 1 108 108 LYS H H 1 7.412 0.05 . 1 . . . . 108 K H . 15528 1 1134 . 1 1 108 108 LYS HA H 1 5.524 0.05 . 1 . . . . 108 K HA . 15528 1 1135 . 1 1 108 108 LYS HB3 H 1 1.737 0.05 . 1 . . . . 108 K HB3 . 15528 1 1136 . 1 1 108 108 LYS HD2 H 1 1.984 0.05 . 1 . . . . 108 K HD2 . 15528 1 1137 . 1 1 108 108 LYS HE2 H 1 3.022 0.05 . 2 . . . . 108 K HE2 . 15528 1 1138 . 1 1 108 108 LYS HE3 H 1 3.140 0.05 . 2 . . . . 108 K HE3 . 15528 1 1139 . 1 1 108 108 LYS HG2 H 1 1.663 0.05 . 2 . . . . 108 K HG2 . 15528 1 1140 . 1 1 108 108 LYS HG3 H 1 1.502 0.05 . 2 . . . . 108 K HG3 . 15528 1 1141 . 1 1 108 108 LYS C C 13 175.839 0.15 . 1 . . . . 108 K C . 15528 1 1142 . 1 1 108 108 LYS CA C 13 52.172 0.15 . 1 . . . . 108 K CA . 15528 1 1143 . 1 1 108 108 LYS CB C 13 33.947 0.15 . 1 . . . . 108 K CB . 15528 1 1144 . 1 1 108 108 LYS CD C 13 27.532 0.15 . 1 . . . . 108 K CD . 15528 1 1145 . 1 1 108 108 LYS CE C 13 41.253 0.15 . 1 . . . . 108 K CE . 15528 1 1146 . 1 1 108 108 LYS CG C 13 23.845 0.15 . 1 . . . . 108 K CG . 15528 1 1147 . 1 1 108 108 LYS N N 15 121.402 0.15 . 1 . . . . 108 K N . 15528 1 1148 . 1 1 109 109 VAL H H 1 9.467 0.05 . 1 . . . . 109 V H . 15528 1 1149 . 1 1 109 109 VAL HA H 1 5.410 0.05 . 1 . . . . 109 V HA . 15528 1 1150 . 1 1 109 109 VAL HB H 1 1.987 0.05 . 1 . . . . 109 V HB . 15528 1 1151 . 1 1 109 109 VAL HG11 H 1 1.105 0.05 . 2 . . . . 109 V QG1 . 15528 1 1152 . 1 1 109 109 VAL HG12 H 1 1.105 0.05 . 2 . . . . 109 V QG1 . 15528 1 1153 . 1 1 109 109 VAL HG13 H 1 1.105 0.05 . 2 . . . . 109 V QG1 . 15528 1 1154 . 1 1 109 109 VAL HG21 H 1 0.919 0.05 . 2 . . . . 109 V QG2 . 15528 1 1155 . 1 1 109 109 VAL HG22 H 1 0.919 0.05 . 2 . . . . 109 V QG2 . 15528 1 1156 . 1 1 109 109 VAL HG23 H 1 0.919 0.05 . 2 . . . . 109 V QG2 . 15528 1 1157 . 1 1 109 109 VAL C C 13 174.514 0.15 . 1 . . . . 109 V C . 15528 1 1158 . 1 1 109 109 VAL CA C 13 61.258 0.15 . 1 . . . . 109 V CA . 15528 1 1159 . 1 1 109 109 VAL CB C 13 34.289 0.15 . 1 . . . . 109 V CB . 15528 1 1160 . 1 1 109 109 VAL CG1 C 13 21.772 0.15 . 1 . . . . 109 V CG1 . 15528 1 1161 . 1 1 109 109 VAL CG2 C 13 21.945 0.15 . 1 . . . . 109 V CG2 . 15528 1 1162 . 1 1 109 109 VAL N N 15 125.530 0.15 . 1 . . . . 109 V N . 15528 1 1163 . 1 1 110 110 LEU H H 1 9.081 0.05 . 1 . . . . 110 L H . 15528 1 1164 . 1 1 110 110 LEU HA H 1 5.109 0.05 . 1 . . . . 110 L HA . 15528 1 1165 . 1 1 110 110 LEU HB2 H 1 1.596 0.05 . 1 . . . . 110 L HB2 . 15528 1 1166 . 1 1 110 110 LEU HD11 H 1 0.899 0.05 . 2 . . . . 110 L QD1 . 15528 1 1167 . 1 1 110 110 LEU HD12 H 1 0.899 0.05 . 2 . . . . 110 L QD1 . 15528 1 1168 . 1 1 110 110 LEU HD13 H 1 0.899 0.05 . 2 . . . . 110 L QD1 . 15528 1 1169 . 1 1 110 110 LEU HD21 H 1 1.074 0.05 . 2 . . . . 110 L QD2 . 15528 1 1170 . 1 1 110 110 LEU HD22 H 1 1.074 0.05 . 2 . . . . 110 L QD2 . 15528 1 1171 . 1 1 110 110 LEU HD23 H 1 1.074 0.05 . 2 . . . . 110 L QD2 . 15528 1 1172 . 1 1 110 110 LEU HG H 1 1.684 0.05 . 1 . . . . 110 L HG . 15528 1 1173 . 1 1 110 110 LEU CA C 13 51.660 0.15 . 1 . . . . 110 L CA . 15528 1 1174 . 1 1 110 110 LEU CB C 13 46.037 0.15 . 1 . . . . 110 L CB . 15528 1 1175 . 1 1 110 110 LEU CD1 C 13 25.911 0.15 . 2 . . . . 110 L CD1 . 15528 1 1176 . 1 1 110 110 LEU CD2 C 13 24.298 0.15 . 2 . . . . 110 L CD2 . 15528 1 1177 . 1 1 110 110 LEU CG C 13 27.097 0.15 . 1 . . . . 110 L CG . 15528 1 1178 . 1 1 110 110 LEU N N 15 125.323 0.15 . 1 . . . . 110 L N . 15528 1 1179 . 1 1 111 111 PRO HA H 1 4.539 0.05 . 1 . . . . 111 P HA . 15528 1 1180 . 1 1 111 111 PRO HB2 H 1 2.424 0.05 . 2 . . . . 111 P HB2 . 15528 1 1181 . 1 1 111 111 PRO HB3 H 1 1.957 0.05 . 2 . . . . 111 P HB3 . 15528 1 1182 . 1 1 111 111 PRO HD2 H 1 3.825 0.05 . 2 . . . . 111 P HD2 . 15528 1 1183 . 1 1 111 111 PRO HD3 H 1 3.687 0.05 . 2 . . . . 111 P HD3 . 15528 1 1184 . 1 1 111 111 PRO HG2 H 1 1.965 0.05 . 2 . . . . 111 P HG2 . 15528 1 1185 . 1 1 111 111 PRO HG3 H 1 2.210 0.05 . 2 . . . . 111 P HG3 . 15528 1 1186 . 1 1 111 111 PRO C C 13 176.222 0.15 . 1 . . . . 111 P C . 15528 1 1187 . 1 1 111 111 PRO CA C 13 63.390 0.15 . 1 . . . . 111 P CA . 15528 1 1188 . 1 1 111 111 PRO CB C 13 31.697 0.15 . 1 . . . . 111 P CB . 15528 1 1189 . 1 1 111 111 PRO CD C 13 50.411 0.15 . 1 . . . . 111 P CD . 15528 1 1190 . 1 1 111 111 PRO CG C 13 28.033 0.15 . 1 . . . . 111 P CG . 15528 1 1191 . 1 1 112 112 LYS H H 1 8.121 0.05 . 1 . . . . 112 K H . 15528 1 1192 . 1 1 112 112 LYS HA H 1 4.113 0.05 . 1 . . . . 112 K HA . 15528 1 1193 . 1 1 112 112 LYS HB2 H 1 1.328 0.05 . 2 . . . . 112 K HB2 . 15528 1 1194 . 1 1 112 112 LYS HB3 H 1 1.975 0.05 . 2 . . . . 112 K HB3 . 15528 1 1195 . 1 1 112 112 LYS HE2 H 1 2.243 0.05 . 2 . . . . 112 K HE2 . 15528 1 1196 . 1 1 112 112 LYS HE3 H 1 1.962 0.05 . 2 . . . . 112 K HE3 . 15528 1 1197 . 1 1 112 112 LYS HG2 H 1 1.265 0.05 . 2 . . . . 112 K HG2 . 15528 1 1198 . 1 1 112 112 LYS HG3 H 1 1.299 0.05 . 2 . . . . 112 K HG3 . 15528 1 1199 . 1 1 112 112 LYS C C 13 175.830 0.15 . 1 . . . . 112 K C . 15528 1 1200 . 1 1 112 112 LYS CA C 13 58.405 0.15 . 1 . . . . 112 K CA . 15528 1 1201 . 1 1 112 112 LYS CB C 13 33.746 0.15 . 1 . . . . 112 K CB . 15528 1 1202 . 1 1 112 112 LYS CE C 13 41.236 0.15 . 1 . . . . 112 K CE . 15528 1 1203 . 1 1 112 112 LYS CG C 13 26.027 0.15 . 1 . . . . 112 K CG . 15528 1 1204 . 1 1 112 112 LYS N N 15 124.317 0.15 . 1 . . . . 112 K N . 15528 1 1205 . 1 1 113 113 ARG H H 1 8.228 0.05 . 1 . . . . 113 R H . 15528 1 1206 . 1 1 113 113 ARG HA H 1 4.451 0.05 . 1 . . . . 113 R HA . 15528 1 1207 . 1 1 113 113 ARG HB2 H 1 1.701 0.05 . 2 . . . . 113 R HB2 . 15528 1 1208 . 1 1 113 113 ARG HB3 H 1 1.831 0.05 . 2 . . . . 113 R HB3 . 15528 1 1209 . 1 1 113 113 ARG HD2 H 1 3.195 0.05 . 1 . . . . 113 R HD2 . 15528 1 1210 . 1 1 113 113 ARG HG2 H 1 1.591 0.05 . 1 . . . . 113 R HG2 . 15528 1 1211 . 1 1 113 113 ARG C C 13 175.758 0.15 . 1 . . . . 113 R C . 15528 1 1212 . 1 1 113 113 ARG CA C 13 55.468 0.15 . 1 . . . . 113 R CA . 15528 1 1213 . 1 1 113 113 ARG CB C 13 31.550 0.15 . 1 . . . . 113 R CB . 15528 1 1214 . 1 1 113 113 ARG CD C 13 43.493 0.15 . 1 . . . . 113 R CD . 15528 1 1215 . 1 1 113 113 ARG N N 15 121.228 0.15 . 1 . . . . 113 R N . 15528 1 1216 . 1 1 114 114 THR H H 1 8.138 0.05 . 1 . . . . 114 T H . 15528 1 1217 . 1 1 114 114 THR HA H 1 4.264 0.05 . 1 . . . . 114 T HA . 15528 1 1218 . 1 1 114 114 THR HB H 1 4.134 0.05 . 1 . . . . 114 T HB . 15528 1 1219 . 1 1 114 114 THR HG21 H 1 1.185 0.05 . 1 . . . . 114 T QG2 . 15528 1 1220 . 1 1 114 114 THR HG22 H 1 1.185 0.05 . 1 . . . . 114 T QG2 . 15528 1 1221 . 1 1 114 114 THR HG23 H 1 1.185 0.05 . 1 . . . . 114 T QG2 . 15528 1 1222 . 1 1 114 114 THR C C 13 174.043 0.15 . 1 . . . . 114 T C . 15528 1 1223 . 1 1 114 114 THR CA C 13 62.229 0.15 . 1 . . . . 114 T CA . 15528 1 1224 . 1 1 114 114 THR CB C 13 69.682 0.15 . 1 . . . . 114 T CB . 15528 1 1225 . 1 1 114 114 THR CG2 C 13 21.761 0.15 . 1 . . . . 114 T CG2 . 15528 1 1226 . 1 1 114 114 THR N N 15 116.384 0.15 . 1 . . . . 114 T N . 15528 1 1227 . 1 1 115 115 ASN H H 1 8.406 0.05 . 1 . . . . 115 N H . 15528 1 1228 . 1 1 115 115 ASN HA H 1 4.682 0.05 . 1 . . . . 115 N HA . 15528 1 1229 . 1 1 115 115 ASN HB2 H 1 2.760 0.05 . 1 . . . . 115 N HB2 . 15528 1 1230 . 1 1 115 115 ASN HB3 H 1 2.703 0.05 . 1 . . . . 115 N HB3 . 15528 1 1231 . 1 1 115 115 ASN HD21 H 1 7.489 0.05 . 2 . . . . 115 N HD21 . 15528 1 1232 . 1 1 115 115 ASN HD22 H 1 6.807 0.05 . 2 . . . . 115 N HD22 . 15528 1 1233 . 1 1 115 115 ASN C C 13 174.513 0.15 . 1 . . . . 115 N C . 15528 1 1234 . 1 1 115 115 ASN CA C 13 53.242 0.15 . 1 . . . . 115 N CA . 15528 1 1235 . 1 1 115 115 ASN CB C 13 38.888 0.15 . 1 . . . . 115 N CB . 15528 1 1236 . 1 1 115 115 ASN N N 15 120.871 0.15 . 1 . . . . 115 N N . 15528 1 1237 . 1 1 115 115 ASN ND2 N 15 112.287 0.15 . 1 . . . . 115 N ND2 . 15528 1 1238 . 1 1 116 116 MET H H 1 8.138 0.05 . 1 . . . . 116 M H . 15528 1 1239 . 1 1 116 116 MET CA C 13 53.400 0.15 . 1 . . . . 116 M CA . 15528 1 1240 . 1 1 116 116 MET CB C 13 32.829 0.15 . 1 . . . . 116 M CB . 15528 1 1241 . 1 1 116 116 MET N N 15 121.611 0.15 . 1 . . . . 116 M N . 15528 1 1242 . 1 1 117 117 PRO HA H 1 4.428 0.05 . 1 . . . . 117 P HA . 15528 1 1243 . 1 1 117 117 PRO HB2 H 1 1.921 0.05 . 2 . . . . 117 P HB2 . 15528 1 1244 . 1 1 117 117 PRO HB3 H 1 2.261 0.05 . 2 . . . . 117 P HB3 . 15528 1 1245 . 1 1 117 117 PRO C C 13 175.935 1.0 . 1 . . . . 117 P C . 15528 1 1246 . 1 1 117 117 PRO CA C 13 63.489 0.15 . 1 . . . . 117 P CA . 15528 1 1247 . 1 1 117 117 PRO CB C 13 32.105 0.15 . 1 . . . . 117 P CB . 15528 1 1248 . 1 1 118 118 GLY H H 1 8.411 0.05 . 1 . . . . 118 G H . 15528 1 1249 . 1 1 118 118 GLY HA2 H 1 3.927 0.05 . 2 . . . . 118 G HA2 . 15528 1 1250 . 1 1 118 118 GLY HA3 H 1 4.389 0.05 . 2 . . . . 118 G HA3 . 15528 1 1251 . 1 1 118 118 GLY C C 13 174.117 0.15 . 1 . . . . 118 G C . 15528 1 1252 . 1 1 118 118 GLY CA C 13 45.470 0.15 . 1 . . . . 118 G CA . 15528 1 1253 . 1 1 118 118 GLY N N 15 109.241 0.15 . 1 . . . . 118 G N . 15528 1 1254 . 1 1 119 119 ILE H H 1 7.825 0.05 . 1 . . . . 119 I H . 15528 1 1255 . 1 1 119 119 ILE HA H 1 4.234 0.05 . 1 . . . . 119 I HA . 15528 1 1256 . 1 1 119 119 ILE HB H 1 1.870 0.05 . 1 . . . . 119 I HB . 15528 1 1257 . 1 1 119 119 ILE HD11 H 1 0.807 0.05 . 1 . . . . 119 I QD1 . 15528 1 1258 . 1 1 119 119 ILE HD12 H 1 0.807 0.05 . 1 . . . . 119 I QD1 . 15528 1 1259 . 1 1 119 119 ILE HD13 H 1 0.807 0.05 . 1 . . . . 119 I QD1 . 15528 1 1260 . 1 1 119 119 ILE HG12 H 1 1.144 0.05 . 1 . . . . 119 I HG12 . 15528 1 1261 . 1 1 119 119 ILE HG13 H 1 1.394 0.05 . 1 . . . . 119 I HG13 . 15528 1 1262 . 1 1 119 119 ILE HG21 H 1 0.877 0.05 . 1 . . . . 119 I QG2 . 15528 1 1263 . 1 1 119 119 ILE HG22 H 1 0.877 0.05 . 1 . . . . 119 I QG2 . 15528 1 1264 . 1 1 119 119 ILE HG23 H 1 0.877 0.05 . 1 . . . . 119 I QG2 . 15528 1 1265 . 1 1 119 119 ILE C C 13 176.261 0.15 . 1 . . . . 119 I C . 15528 1 1266 . 1 1 119 119 ILE CA C 13 61.029 0.15 . 1 . . . . 119 I CA . 15528 1 1267 . 1 1 119 119 ILE CB C 13 38.878 0.15 . 1 . . . . 119 I CB . 15528 1 1268 . 1 1 119 119 ILE CD1 C 13 13.099 0.15 . 1 . . . . 119 I CD1 . 15528 1 1269 . 1 1 119 119 ILE CG2 C 13 17.684 0.15 . 1 . . . . 119 I CG2 . 15528 1 1270 . 1 1 119 119 ILE N N 15 119.504 0.15 . 1 . . . . 119 I N . 15528 1 1271 . 1 1 120 120 SER H H 1 8.397 0.05 . 1 . . . . 120 S H . 15528 1 1272 . 1 1 120 120 SER HA H 1 4.534 0.05 . 1 . . . . 120 S HA . 15528 1 1273 . 1 1 120 120 SER HB2 H 1 3.876 0.05 . 1 . . . . 120 S HB2 . 15528 1 1274 . 1 1 120 120 SER C C 13 174.692 0.15 . 1 . . . . 120 S C . 15528 1 1275 . 1 1 120 120 SER CA C 13 58.150 0.15 . 1 . . . . 120 S CA . 15528 1 1276 . 1 1 120 120 SER CB C 13 63.997 0.15 . 1 . . . . 120 S CB . 15528 1 1277 . 1 1 120 120 SER N N 15 119.359 0.15 . 1 . . . . 120 S N . 15528 1 1278 . 1 1 121 121 SER H H 1 8.371 0.05 . 1 . . . . 121 S H . 15528 1 1279 . 1 1 121 121 SER HA H 1 4.360 0.05 . 1 . . . . 121 S HA . 15528 1 1280 . 1 1 121 121 SER C C 13 174.809 0.15 . 1 . . . . 121 S C . 15528 1 1281 . 1 1 121 121 SER CA C 13 58.656 0.15 . 1 . . . . 121 S CA . 15528 1 1282 . 1 1 121 121 SER CB C 13 63.795 0.15 . 1 . . . . 121 S CB . 15528 1 1283 . 1 1 121 121 SER N N 15 118.036 0.15 . 1 . . . . 121 S N . 15528 1 1284 . 1 1 122 122 THR H H 1 8.100 0.05 . 1 . . . . 122 T H . 15528 1 1285 . 1 1 122 122 THR C C 13 174.254 0.15 . 1 . . . . 122 T C . 15528 1 1286 . 1 1 122 122 THR CA C 13 61.829 0.15 . 1 . . . . 122 T CA . 15528 1 1287 . 1 1 122 122 THR CB C 13 69.537 0.15 . 1 . . . . 122 T CB . 15528 1 1288 . 1 1 122 122 THR N N 15 114.163 0.15 . 1 . . . . 122 T N . 15528 1 1289 . 1 1 123 123 ASP H H 1 8.197 0.05 . 1 . . . . 123 D H . 15528 1 1290 . 1 1 123 123 ASP HA H 1 4.641 0.05 . 1 . . . . 123 D HA . 15528 1 1291 . 1 1 123 123 ASP HB2 H 1 2.706 0.05 . 1 . . . . 123 D HB2 . 15528 1 1292 . 1 1 123 123 ASP C C 13 174.975 0.15 . 1 . . . . 123 D C . 15528 1 1293 . 1 1 123 123 ASP CA C 13 54.542 0.15 . 1 . . . . 123 D CA . 15528 1 1294 . 1 1 123 123 ASP CB C 13 41.144 0.15 . 1 . . . . 123 D CB . 15528 1 1295 . 1 1 123 123 ASP N N 15 122.772 0.15 . 1 . . . . 123 D N . 15528 1 1296 . 1 1 124 124 ARG H H 1 7.768 0.05 . 1 . . . . 124 R H . 15528 1 1297 . 1 1 124 124 ARG CA C 13 57.468 0.15 . 1 . . . . 124 R CA . 15528 1 1298 . 1 1 124 124 ARG CB C 13 31.658 0.15 . 1 . . . . 124 R CB . 15528 1 1299 . 1 1 124 124 ARG N N 15 125.385 0.15 . 1 . . . . 124 R N . 15528 1 stop_ save_