data_17553 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17553 _Entry.Title ; Solution structure of acyl CoA binding protein from Babesia bovis T2Bo. Seattle Structure Genomics Center for Infectious Disease (SSGCID) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-29 _Entry.Accession_date 2011-03-29 _Entry.Last_release_date 2011-04-11 _Entry.Original_release_date 2011-04-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Fan Yang . . . 17553 2 Ravi Barnwal . . . 17553 3 Gabriele Varani . . . 17553 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 'not applicable' 'Seattle Structural Genomics Center for Infectious Disease (SSGCID)' . 17553 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'acyl CoA binding protein' . 17553 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17553 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 367 17553 '15N chemical shifts' 97 17553 '1H chemical shifts' 547 17553 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-04-11 2011-03-29 original author . 17553 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LBB 'BMRB Entry Tracking System' 17553 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17553 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of acyl CoA binding protein from Babesia bovis T2Bo' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Fan Yang . . . 17553 1 2 Ravi Barnwal . . . 17553 1 3 Gabriele Varani . . . 17553 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17553 _Assembly.ID 1 _Assembly.Name 'acyl CoA binding protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'acyl CoA binding protein' 1 $entity A . yes native no no . . . 17553 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17553 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSADDFDAAVKYVSNTTTMM ASNDDKLCFYKYYKQATVGD CNKPKPGMLQLQEKYKWEAW NALRGMSTESAKEAYVKLLD TLAPSWRN ; _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10086.520 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2LBB . "Solution Structure Of Acyl Coa Binding Protein From Babesia Bovis T2bo" . . . . . 100.00 96 100.00 100.00 4.24e-58 . . . . 17553 1 2 no DBJ BAN64849 . "acyl CoA binding protein [Babesia bovis]" . . . . . 100.00 88 98.86 98.86 9.19e-57 . . . . 17553 1 3 no GB EDO05649 . "acyl CoA binding protein [Babesia bovis]" . . . . . 100.00 88 100.00 100.00 2.68e-57 . . . . 17553 1 4 no REF XP_001609217 . "acyl CoA binding protein [Babesia bovis T2Bo]" . . . . . 100.00 88 100.00 100.00 2.68e-57 . . . . 17553 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 . MET . 17553 1 2 . SER . 17553 1 3 . ALA . 17553 1 4 . ASP . 17553 1 5 . ASP . 17553 1 6 . PHE . 17553 1 7 . ASP . 17553 1 8 . ALA . 17553 1 9 . ALA . 17553 1 10 . VAL . 17553 1 11 . LYS . 17553 1 12 . TYR . 17553 1 13 . VAL . 17553 1 14 . SER . 17553 1 15 . ASN . 17553 1 16 . THR . 17553 1 17 . THR . 17553 1 18 . THR . 17553 1 19 . MET . 17553 1 20 . MET . 17553 1 21 . ALA . 17553 1 22 . SER . 17553 1 23 . ASN . 17553 1 24 . ASP . 17553 1 25 . ASP . 17553 1 26 . LYS . 17553 1 27 . LEU . 17553 1 28 . CYS . 17553 1 29 . PHE . 17553 1 30 . TYR . 17553 1 31 . LYS . 17553 1 32 . TYR . 17553 1 33 . TYR . 17553 1 34 . LYS . 17553 1 35 . GLN . 17553 1 36 . ALA . 17553 1 37 . THR . 17553 1 38 . VAL . 17553 1 39 . GLY . 17553 1 40 . ASP . 17553 1 41 . CYS . 17553 1 42 . ASN . 17553 1 43 . LYS . 17553 1 44 . PRO . 17553 1 45 . LYS . 17553 1 46 . PRO . 17553 1 47 . GLY . 17553 1 48 . MET . 17553 1 49 . LEU . 17553 1 50 . GLN . 17553 1 51 . LEU . 17553 1 52 . GLN . 17553 1 53 . GLU . 17553 1 54 . LYS . 17553 1 55 . TYR . 17553 1 56 . LYS . 17553 1 57 . TRP . 17553 1 58 . GLU . 17553 1 59 . ALA . 17553 1 60 . TRP . 17553 1 61 . ASN . 17553 1 62 . ALA . 17553 1 63 . LEU . 17553 1 64 . ARG . 17553 1 65 . GLY . 17553 1 66 . MET . 17553 1 67 . SER . 17553 1 68 . THR . 17553 1 69 . GLU . 17553 1 70 . SER . 17553 1 71 . ALA . 17553 1 72 . LYS . 17553 1 73 . GLU . 17553 1 74 . ALA . 17553 1 75 . TYR . 17553 1 76 . VAL . 17553 1 77 . LYS . 17553 1 78 . LEU . 17553 1 79 . LEU . 17553 1 80 . ASP . 17553 1 81 . THR . 17553 1 82 . LEU . 17553 1 83 . ALA . 17553 1 84 . PRO . 17553 1 85 . SER . 17553 1 86 . TRP . 17553 1 87 . ARG . 17553 1 88 . ASN . 17553 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 . MET 1 1 17553 1 . SER 2 2 17553 1 . ALA 3 3 17553 1 . ASP 4 4 17553 1 . ASP 5 5 17553 1 . PHE 6 6 17553 1 . ASP 7 7 17553 1 . ALA 8 8 17553 1 . ALA 9 9 17553 1 . VAL 10 10 17553 1 . LYS 11 11 17553 1 . TYR 12 12 17553 1 . VAL 13 13 17553 1 . SER 14 14 17553 1 . ASN 15 15 17553 1 . THR 16 16 17553 1 . THR 17 17 17553 1 . THR 18 18 17553 1 . MET 19 19 17553 1 . MET 20 20 17553 1 . ALA 21 21 17553 1 . SER 22 22 17553 1 . ASN 23 23 17553 1 . ASP 24 24 17553 1 . ASP 25 25 17553 1 . LYS 26 26 17553 1 . LEU 27 27 17553 1 . CYS 28 28 17553 1 . PHE 29 29 17553 1 . TYR 30 30 17553 1 . LYS 31 31 17553 1 . TYR 32 32 17553 1 . TYR 33 33 17553 1 . LYS 34 34 17553 1 . GLN 35 35 17553 1 . ALA 36 36 17553 1 . THR 37 37 17553 1 . VAL 38 38 17553 1 . GLY 39 39 17553 1 . ASP 40 40 17553 1 . CYS 41 41 17553 1 . ASN 42 42 17553 1 . LYS 43 43 17553 1 . PRO 44 44 17553 1 . LYS 45 45 17553 1 . PRO 46 46 17553 1 . GLY 47 47 17553 1 . MET 48 48 17553 1 . LEU 49 49 17553 1 . GLN 50 50 17553 1 . LEU 51 51 17553 1 . GLN 52 52 17553 1 . GLU 53 53 17553 1 . LYS 54 54 17553 1 . TYR 55 55 17553 1 . LYS 56 56 17553 1 . TRP 57 57 17553 1 . GLU 58 58 17553 1 . ALA 59 59 17553 1 . TRP 60 60 17553 1 . ASN 61 61 17553 1 . ALA 62 62 17553 1 . LEU 63 63 17553 1 . ARG 64 64 17553 1 . GLY 65 65 17553 1 . MET 66 66 17553 1 . SER 67 67 17553 1 . THR 68 68 17553 1 . GLU 69 69 17553 1 . SER 70 70 17553 1 . ALA 71 71 17553 1 . LYS 72 72 17553 1 . GLU 73 73 17553 1 . ALA 74 74 17553 1 . TYR 75 75 17553 1 . VAL 76 76 17553 1 . LYS 77 77 17553 1 . LEU 78 78 17553 1 . LEU 79 79 17553 1 . ASP 80 80 17553 1 . THR 81 81 17553 1 . LEU 82 82 17553 1 . ALA 83 83 17553 1 . PRO 84 84 17553 1 . SER 85 85 17553 1 . TRP 86 86 17553 1 . ARG 87 87 17553 1 . ASN 88 88 17553 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 17553 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 484906 organism . 'Babesia bovis T2Bo' 'Babesia bovis T2Bo' . . Eukaryota Chromalveolata Babesia bovis T2Bo . . . . . . . . . . . . . . . . . . . . 17553 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 17553 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'LIC VECTOR BG1861' . . . . . . 17553 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17553 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity '[U-95% 15N]' . . 1 $entity . . 0.8 . . mM . . . . 17553 1 2 BIS-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17553 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17553 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17553 1 5 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 17553 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17553 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity '[U-95% 13C; U-95% 15N]' . . 1 $entity . . 0.8 . . mM . . . . 17553 2 2 BIS-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17553 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17553 2 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17553 2 5 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 17553 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17553 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity 'natural abundance' . . 1 $entity . . 1 . . mM . . . . 17553 3 2 BIS-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17553 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17553 3 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17553 3 5 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 17553 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 17553 _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 pH 6.5 . pH 17553 1 pressure 1 . atm 17553 1 temperature 298 . K 17553 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17553 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17553 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17553 1 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 17553 _Software.ID 2 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 17553 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure display' 17553 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17553 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17553 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17553 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17553 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17553 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17553 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17553 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17553 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17553 5 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 17553 _Software.ID 6 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17553 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17553 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 17553 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17553 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17553 _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 AMX . 500 . . . 17553 1 2 spectrometer_2 Bruker Avance . 600 . . . 17553 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 17553 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17553 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17553 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17553 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17553 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17553 1 6 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17553 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17553 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17553 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17553 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17553 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17553 1 12 '3D HCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17553 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17553 1 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 17553 _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 . . . . . . . . . 17553 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17553 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17553 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 17553 _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 1 '2D 1H-15N HSQC' . . . 17553 1 2 '2D 1H-13C HSQC' . . . 17553 1 4 '3D CBCA(CO)NH' . . . 17553 1 5 '3D HNCO' . . . 17553 1 7 '3D HNCACB' . . . 17553 1 9 '3D HCCH-TOCSY' . . . 17553 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 MET HA H 1 4.582 0.008 . 1 . . . A 1 MET HA . 17553 1 2 . 1 1 1 1 MET HB2 H 1 2.179 0.011 . 2 . . . A 1 MET HB2 . 17553 1 3 . 1 1 1 1 MET HB3 H 1 2.002 0.013 . 2 . . . A 1 MET HB3 . 17553 1 4 . 1 1 1 1 MET C C 13 176.523 0.000 . 1 . . . A 1 MET C . 17553 1 5 . 1 1 1 1 MET CA C 13 54.964 0.031 . 1 . . . A 1 MET CA . 17553 1 6 . 1 1 1 1 MET CB C 13 32.776 0.010 . 1 . . . A 1 MET CB . 17553 1 7 . 1 1 1 1 MET N N 15 123.818 0.029 . 1 . . . A 1 MET N . 17553 1 8 . 1 1 2 2 SER H H 1 8.709 0.003 . 1 . . . A 2 SER H . 17553 1 9 . 1 1 2 2 SER HA H 1 4.410 0.011 . 1 . . . A 2 SER HA . 17553 1 10 . 1 1 2 2 SER HB3 H 1 3.943 0.007 . 2 . . . A 2 SER HB3 . 17553 1 11 . 1 1 2 2 SER C C 13 175.681 0.000 . 1 . . . A 2 SER C . 17553 1 12 . 1 1 2 2 SER CA C 13 60.653 0.000 . 1 . . . A 2 SER CA . 17553 1 13 . 1 1 2 2 SER CB C 13 63.811 0.031 . 1 . . . A 2 SER CB . 17553 1 14 . 1 1 2 2 SER N N 15 118.878 0.035 . 1 . . . A 2 SER N . 17553 1 15 . 1 1 3 3 ALA H H 1 8.868 0.006 . 1 . . . A 3 ALA H . 17553 1 16 . 1 1 3 3 ALA HA H 1 3.993 0.009 . 1 . . . A 3 ALA HA . 17553 1 17 . 1 1 3 3 ALA HB1 H 1 1.484 0.007 . 1 . . . A 3 ALA HB1 . 17553 1 18 . 1 1 3 3 ALA HB2 H 1 1.484 0.007 . 1 . . . A 3 ALA HB2 . 17553 1 19 . 1 1 3 3 ALA HB3 H 1 1.484 0.007 . 1 . . . A 3 ALA HB3 . 17553 1 20 . 1 1 3 3 ALA C C 13 178.889 0.000 . 1 . . . A 3 ALA C . 17553 1 21 . 1 1 3 3 ALA CA C 13 54.700 0.051 . 1 . . . A 3 ALA CA . 17553 1 22 . 1 1 3 3 ALA CB C 13 19.108 0.014 . 1 . . . A 3 ALA CB . 17553 1 23 . 1 1 3 3 ALA N N 15 123.102 0.039 . 1 . . . A 3 ALA N . 17553 1 24 . 1 1 4 4 ASP H H 1 8.036 0.005 . 1 . . . A 4 ASP H . 17553 1 25 . 1 1 4 4 ASP HA H 1 4.591 0.004 . 1 . . . A 4 ASP HA . 17553 1 26 . 1 1 4 4 ASP HB2 H 1 2.739 0.005 . 2 . . . A 4 ASP HB2 . 17553 1 27 . 1 1 4 4 ASP HB3 H 1 2.826 0.001 . 2 . . . A 4 ASP HB3 . 17553 1 28 . 1 1 4 4 ASP C C 13 177.474 0.000 . 1 . . . A 4 ASP C . 17553 1 29 . 1 1 4 4 ASP CA C 13 55.998 0.038 . 1 . . . A 4 ASP CA . 17553 1 30 . 1 1 4 4 ASP CB C 13 40.617 0.024 . 1 . . . A 4 ASP CB . 17553 1 31 . 1 1 4 4 ASP N N 15 117.055 0.022 . 1 . . . A 4 ASP N . 17553 1 32 . 1 1 5 5 ASP H H 1 8.137 0.003 . 1 . . . A 5 ASP H . 17553 1 33 . 1 1 5 5 ASP HA H 1 5.018 0.000 . 1 . . . A 5 ASP HA . 17553 1 34 . 1 1 5 5 ASP HB2 H 1 3.238 0.001 . 2 . . . A 5 ASP HB2 . 17553 1 35 . 1 1 5 5 ASP HB3 H 1 3.263 0.000 . 2 . . . A 5 ASP HB3 . 17553 1 36 . 1 1 5 5 ASP C C 13 176.324 0.000 . 1 . . . A 5 ASP C . 17553 1 37 . 1 1 5 5 ASP CA C 13 55.634 0.000 . 1 . . . A 5 ASP CA . 17553 1 38 . 1 1 5 5 ASP CB C 13 41.692 0.008 . 1 . . . A 5 ASP CB . 17553 1 39 . 1 1 5 5 ASP N N 15 120.002 0.042 . 1 . . . A 5 ASP N . 17553 1 40 . 1 1 6 6 PHE H H 1 7.974 0.004 . 1 . . . A 6 PHE H . 17553 1 41 . 1 1 6 6 PHE HA H 1 4.026 0.005 . 1 . . . A 6 PHE HA . 17553 1 42 . 1 1 6 6 PHE HB2 H 1 3.096 0.008 . 2 . . . A 6 PHE HB2 . 17553 1 43 . 1 1 6 6 PHE HB3 H 1 3.243 0.006 . 2 . . . A 6 PHE HB3 . 17553 1 44 . 1 1 6 6 PHE HD1 H 1 7.217 0.000 . 3 . . . A 6 PHE HD1 . 17553 1 45 . 1 1 6 6 PHE HD2 H 1 7.217 0.000 . 3 . . . A 6 PHE HD2 . 17553 1 46 . 1 1 6 6 PHE C C 13 175.221 0.000 . 1 . . . A 6 PHE C . 17553 1 47 . 1 1 6 6 PHE CA C 13 62.388 0.110 . 1 . . . A 6 PHE CA . 17553 1 48 . 1 1 6 6 PHE CB C 13 39.883 0.008 . 1 . . . A 6 PHE CB . 17553 1 49 . 1 1 6 6 PHE CD1 C 13 132.368 0.000 . 3 . . . A 6 PHE CD1 . 17553 1 50 . 1 1 6 6 PHE CD2 C 13 132.368 0.000 . 3 . . . A 6 PHE CD2 . 17553 1 51 . 1 1 6 6 PHE N N 15 120.289 0.026 . 1 . . . A 6 PHE N . 17553 1 52 . 1 1 7 7 ASP H H 1 8.614 0.004 . 1 . . . A 7 ASP H . 17553 1 53 . 1 1 7 7 ASP HA H 1 4.033 0.008 . 1 . . . A 7 ASP HA . 17553 1 54 . 1 1 7 7 ASP HB2 H 1 2.727 0.005 . 2 . . . A 7 ASP HB2 . 17553 1 55 . 1 1 7 7 ASP HB3 H 1 2.628 0.005 . 2 . . . A 7 ASP HB3 . 17553 1 56 . 1 1 7 7 ASP C C 13 179.367 0.000 . 1 . . . A 7 ASP C . 17553 1 57 . 1 1 7 7 ASP CA C 13 57.923 0.038 . 1 . . . A 7 ASP CA . 17553 1 58 . 1 1 7 7 ASP CB C 13 40.206 0.031 . 1 . . . A 7 ASP CB . 17553 1 59 . 1 1 7 7 ASP N N 15 117.908 0.015 . 1 . . . A 7 ASP N . 17553 1 60 . 1 1 8 8 ALA H H 1 8.252 0.003 . 1 . . . A 8 ALA H . 17553 1 61 . 1 1 8 8 ALA HA H 1 4.209 0.003 . 1 . . . A 8 ALA HA . 17553 1 62 . 1 1 8 8 ALA HB1 H 1 1.813 0.006 . 1 . . . A 8 ALA HB1 . 17553 1 63 . 1 1 8 8 ALA HB2 H 1 1.813 0.006 . 1 . . . A 8 ALA HB2 . 17553 1 64 . 1 1 8 8 ALA HB3 H 1 1.813 0.006 . 1 . . . A 8 ALA HB3 . 17553 1 65 . 1 1 8 8 ALA C C 13 179.900 0.000 . 1 . . . A 8 ALA C . 17553 1 66 . 1 1 8 8 ALA CA C 13 54.942 0.003 . 1 . . . A 8 ALA CA . 17553 1 67 . 1 1 8 8 ALA CB C 13 17.986 0.009 . 1 . . . A 8 ALA CB . 17553 1 68 . 1 1 8 8 ALA N N 15 122.450 0.010 . 1 . . . A 8 ALA N . 17553 1 69 . 1 1 9 9 ALA H H 1 8.714 0.002 . 1 . . . A 9 ALA H . 17553 1 70 . 1 1 9 9 ALA HA H 1 3.114 0.010 . 1 . . . A 9 ALA HA . 17553 1 71 . 1 1 9 9 ALA HB1 H 1 1.262 0.006 . 1 . . . A 9 ALA HB1 . 17553 1 72 . 1 1 9 9 ALA HB2 H 1 1.262 0.006 . 1 . . . A 9 ALA HB2 . 17553 1 73 . 1 1 9 9 ALA HB3 H 1 1.262 0.006 . 1 . . . A 9 ALA HB3 . 17553 1 74 . 1 1 9 9 ALA C C 13 178.346 0.000 . 1 . . . A 9 ALA C . 17553 1 75 . 1 1 9 9 ALA CA C 13 54.847 0.023 . 1 . . . A 9 ALA CA . 17553 1 76 . 1 1 9 9 ALA CB C 13 19.250 0.005 . 1 . . . A 9 ALA CB . 17553 1 77 . 1 1 9 9 ALA N N 15 126.332 0.040 . 1 . . . A 9 ALA N . 17553 1 78 . 1 1 10 10 VAL H H 1 8.234 0.005 . 1 . . . A 10 VAL H . 17553 1 79 . 1 1 10 10 VAL HA H 1 3.797 0.007 . 1 . . . A 10 VAL HA . 17553 1 80 . 1 1 10 10 VAL HB H 1 1.648 0.005 . 1 . . . A 10 VAL HB . 17553 1 81 . 1 1 10 10 VAL HG11 H 1 0.573 0.002 . 1 . . . A 10 VAL HG11 . 17553 1 82 . 1 1 10 10 VAL HG12 H 1 0.573 0.002 . 1 . . . A 10 VAL HG12 . 17553 1 83 . 1 1 10 10 VAL HG13 H 1 0.573 0.002 . 1 . . . A 10 VAL HG13 . 17553 1 84 . 1 1 10 10 VAL HG21 H 1 -0.122 0.004 . 1 . . . A 10 VAL HG21 . 17553 1 85 . 1 1 10 10 VAL HG22 H 1 -0.122 0.004 . 1 . . . A 10 VAL HG22 . 17553 1 86 . 1 1 10 10 VAL HG23 H 1 -0.122 0.004 . 1 . . . A 10 VAL HG23 . 17553 1 87 . 1 1 10 10 VAL C C 13 180.557 0.000 . 1 . . . A 10 VAL C . 17553 1 88 . 1 1 10 10 VAL CA C 13 64.798 0.009 . 1 . . . A 10 VAL CA . 17553 1 89 . 1 1 10 10 VAL CB C 13 32.034 0.060 . 1 . . . A 10 VAL CB . 17553 1 90 . 1 1 10 10 VAL CG1 C 13 21.160 0.008 . 2 . . . A 10 VAL CG1 . 17553 1 91 . 1 1 10 10 VAL CG2 C 13 22.159 0.012 . 2 . . . A 10 VAL CG2 . 17553 1 92 . 1 1 10 10 VAL N N 15 119.717 0.013 . 1 . . . A 10 VAL N . 17553 1 93 . 1 1 11 11 LYS H H 1 7.516 0.007 . 1 . . . A 11 LYS H . 17553 1 94 . 1 1 11 11 LYS HA H 1 3.857 0.005 . 1 . . . A 11 LYS HA . 17553 1 95 . 1 1 11 11 LYS HB2 H 1 1.865 0.004 . 2 . . . A 11 LYS HB2 . 17553 1 96 . 1 1 11 11 LYS HB3 H 1 1.913 0.013 . 2 . . . A 11 LYS HB3 . 17553 1 97 . 1 1 11 11 LYS HG2 H 1 1.498 0.005 . 2 . . . A 11 LYS HG2 . 17553 1 98 . 1 1 11 11 LYS HG3 H 1 1.423 0.001 . 2 . . . A 11 LYS HG3 . 17553 1 99 . 1 1 11 11 LYS HD3 H 1 1.695 0.000 . 2 . . . A 11 LYS HD3 . 17553 1 100 . 1 1 11 11 LYS HE3 H 1 2.981 0.000 . 2 . . . A 11 LYS HE3 . 17553 1 101 . 1 1 11 11 LYS C C 13 178.267 0.000 . 1 . . . A 11 LYS C . 17553 1 102 . 1 1 11 11 LYS CA C 13 59.684 0.091 . 1 . . . A 11 LYS CA . 17553 1 103 . 1 1 11 11 LYS CB C 13 32.255 0.042 . 1 . . . A 11 LYS CB . 17553 1 104 . 1 1 11 11 LYS CG C 13 25.386 0.012 . 1 . . . A 11 LYS CG . 17553 1 105 . 1 1 11 11 LYS CD C 13 29.484 0.000 . 1 . . . A 11 LYS CD . 17553 1 106 . 1 1 11 11 LYS N N 15 120.895 0.060 . 1 . . . A 11 LYS N . 17553 1 107 . 1 1 12 12 TYR H H 1 8.159 0.004 . 1 . . . A 12 TYR H . 17553 1 108 . 1 1 12 12 TYR HA H 1 4.022 0.000 . 1 . . . A 12 TYR HA . 17553 1 109 . 1 1 12 12 TYR HB2 H 1 3.171 0.008 . 2 . . . A 12 TYR HB2 . 17553 1 110 . 1 1 12 12 TYR HB3 H 1 3.062 0.001 . 2 . . . A 12 TYR HB3 . 17553 1 111 . 1 1 12 12 TYR HD1 H 1 7.056 0.000 . 3 . . . A 12 TYR HD1 . 17553 1 112 . 1 1 12 12 TYR HD2 H 1 7.056 0.000 . 3 . . . A 12 TYR HD2 . 17553 1 113 . 1 1 12 12 TYR C C 13 179.025 0.000 . 1 . . . A 12 TYR C . 17553 1 114 . 1 1 12 12 TYR CA C 13 62.723 0.034 . 1 . . . A 12 TYR CA . 17553 1 115 . 1 1 12 12 TYR CB C 13 38.410 0.033 . 1 . . . A 12 TYR CB . 17553 1 116 . 1 1 12 12 TYR CD1 C 13 134.055 0.000 . 3 . . . A 12 TYR CD1 . 17553 1 117 . 1 1 12 12 TYR CD2 C 13 134.055 0.000 . 3 . . . A 12 TYR CD2 . 17553 1 118 . 1 1 12 12 TYR N N 15 121.095 0.027 . 1 . . . A 12 TYR N . 17553 1 119 . 1 1 13 13 VAL H H 1 8.671 0.002 . 1 . . . A 13 VAL H . 17553 1 120 . 1 1 13 13 VAL HA H 1 3.173 0.006 . 1 . . . A 13 VAL HA . 17553 1 121 . 1 1 13 13 VAL HB H 1 1.918 0.008 . 1 . . . A 13 VAL HB . 17553 1 122 . 1 1 13 13 VAL HG11 H 1 0.426 0.003 . 1 . . . A 13 VAL HG11 . 17553 1 123 . 1 1 13 13 VAL HG12 H 1 0.426 0.003 . 1 . . . A 13 VAL HG12 . 17553 1 124 . 1 1 13 13 VAL HG13 H 1 0.426 0.003 . 1 . . . A 13 VAL HG13 . 17553 1 125 . 1 1 13 13 VAL HG21 H 1 0.242 0.002 . 1 . . . A 13 VAL HG21 . 17553 1 126 . 1 1 13 13 VAL HG22 H 1 0.242 0.002 . 1 . . . A 13 VAL HG22 . 17553 1 127 . 1 1 13 13 VAL HG23 H 1 0.242 0.002 . 1 . . . A 13 VAL HG23 . 17553 1 128 . 1 1 13 13 VAL C C 13 178.361 0.000 . 1 . . . A 13 VAL C . 17553 1 129 . 1 1 13 13 VAL CA C 13 66.676 0.020 . 1 . . . A 13 VAL CA . 17553 1 130 . 1 1 13 13 VAL CB C 13 31.527 0.058 . 1 . . . A 13 VAL CB . 17553 1 131 . 1 1 13 13 VAL CG1 C 13 25.225 0.017 . 2 . . . A 13 VAL CG1 . 17553 1 132 . 1 1 13 13 VAL CG2 C 13 20.583 0.020 . 2 . . . A 13 VAL CG2 . 17553 1 133 . 1 1 13 13 VAL N N 15 121.550 0.026 . 1 . . . A 13 VAL N . 17553 1 134 . 1 1 14 14 SER H H 1 8.019 0.005 . 1 . . . A 14 SER H . 17553 1 135 . 1 1 14 14 SER HA H 1 4.055 0.006 . 1 . . . A 14 SER HA . 17553 1 136 . 1 1 14 14 SER HB2 H 1 3.855 0.004 . 2 . . . A 14 SER HB2 . 17553 1 137 . 1 1 14 14 SER HB3 H 1 3.789 0.001 . 2 . . . A 14 SER HB3 . 17553 1 138 . 1 1 14 14 SER C C 13 174.984 0.000 . 1 . . . A 14 SER C . 17553 1 139 . 1 1 14 14 SER CA C 13 61.032 0.014 . 1 . . . A 14 SER CA . 17553 1 140 . 1 1 14 14 SER CB C 13 63.365 0.025 . 1 . . . A 14 SER CB . 17553 1 141 . 1 1 14 14 SER N N 15 112.289 0.021 . 1 . . . A 14 SER N . 17553 1 142 . 1 1 15 15 ASN H H 1 7.478 0.003 . 1 . . . A 15 ASN H . 17553 1 143 . 1 1 15 15 ASN HA H 1 4.768 0.000 . 1 . . . A 15 ASN HA . 17553 1 144 . 1 1 15 15 ASN HB2 H 1 2.725 0.002 . 2 . . . A 15 ASN HB2 . 17553 1 145 . 1 1 15 15 ASN HB3 H 1 2.691 0.003 . 2 . . . A 15 ASN HB3 . 17553 1 146 . 1 1 15 15 ASN HD21 H 1 7.739 0.000 . 2 . . . A 15 ASN HD21 . 17553 1 147 . 1 1 15 15 ASN HD22 H 1 6.962 0.002 . 2 . . . A 15 ASN HD22 . 17553 1 148 . 1 1 15 15 ASN C C 13 175.575 0.000 . 1 . . . A 15 ASN C . 17553 1 149 . 1 1 15 15 ASN CA C 13 53.774 0.000 . 1 . . . A 15 ASN CA . 17553 1 150 . 1 1 15 15 ASN CB C 13 40.710 0.010 . 1 . . . A 15 ASN CB . 17553 1 151 . 1 1 15 15 ASN N N 15 115.926 0.024 . 1 . . . A 15 ASN N . 17553 1 152 . 1 1 15 15 ASN ND2 N 15 113.848 0.002 . 1 . . . A 15 ASN ND2 . 17553 1 153 . 1 1 16 16 THR H H 1 7.579 0.002 . 1 . . . A 16 THR H . 17553 1 154 . 1 1 16 16 THR HA H 1 4.278 0.000 . 1 . . . A 16 THR HA . 17553 1 155 . 1 1 16 16 THR HB H 1 3.560 0.003 . 1 . . . A 16 THR HB . 17553 1 156 . 1 1 16 16 THR HG21 H 1 1.081 0.000 . 1 . . . A 16 THR HG21 . 17553 1 157 . 1 1 16 16 THR HG22 H 1 1.081 0.000 . 1 . . . A 16 THR HG22 . 17553 1 158 . 1 1 16 16 THR HG23 H 1 1.081 0.000 . 1 . . . A 16 THR HG23 . 17553 1 159 . 1 1 16 16 THR C C 13 175.246 0.000 . 1 . . . A 16 THR C . 17553 1 160 . 1 1 16 16 THR CA C 13 62.328 0.077 . 1 . . . A 16 THR CA . 17553 1 161 . 1 1 16 16 THR CB C 13 68.019 0.035 . 1 . . . A 16 THR CB . 17553 1 162 . 1 1 16 16 THR CG2 C 13 21.253 0.000 . 1 . . . A 16 THR CG2 . 17553 1 163 . 1 1 16 16 THR N N 15 117.498 0.022 . 1 . . . A 16 THR N . 17553 1 164 . 1 1 17 17 THR H H 1 8.448 0.000 . 1 . . . A 17 THR H . 17553 1 165 . 1 1 17 17 THR HA H 1 4.410 0.006 . 1 . . . A 17 THR HA . 17553 1 166 . 1 1 17 17 THR HB H 1 4.465 0.000 . 1 . . . A 17 THR HB . 17553 1 167 . 1 1 17 17 THR HG21 H 1 1.226 0.000 . 1 . . . A 17 THR HG21 . 17553 1 168 . 1 1 17 17 THR HG22 H 1 1.226 0.000 . 1 . . . A 17 THR HG22 . 17553 1 169 . 1 1 17 17 THR HG23 H 1 1.226 0.000 . 1 . . . A 17 THR HG23 . 17553 1 170 . 1 1 17 17 THR C C 13 175.870 0.000 . 1 . . . A 17 THR C . 17553 1 171 . 1 1 17 17 THR CA C 13 62.841 0.074 . 1 . . . A 17 THR CA . 17553 1 172 . 1 1 17 17 THR CB C 13 68.965 0.013 . 1 . . . A 17 THR CB . 17553 1 173 . 1 1 17 17 THR CG2 C 13 21.767 0.000 . 1 . . . A 17 THR CG2 . 17553 1 174 . 1 1 17 17 THR N N 15 117.531 0.000 . 1 . . . A 17 THR N . 17553 1 175 . 1 1 18 18 THR H H 1 7.666 0.003 . 1 . . . A 18 THR H . 17553 1 176 . 1 1 18 18 THR HA H 1 4.372 0.003 . 1 . . . A 18 THR HA . 17553 1 177 . 1 1 18 18 THR HB H 1 4.472 0.002 . 1 . . . A 18 THR HB . 17553 1 178 . 1 1 18 18 THR HG21 H 1 1.192 0.000 . 1 . . . A 18 THR HG21 . 17553 1 179 . 1 1 18 18 THR HG22 H 1 1.192 0.000 . 1 . . . A 18 THR HG22 . 17553 1 180 . 1 1 18 18 THR HG23 H 1 1.192 0.000 . 1 . . . A 18 THR HG23 . 17553 1 181 . 1 1 18 18 THR C C 13 174.668 0.000 . 1 . . . A 18 THR C . 17553 1 182 . 1 1 18 18 THR CA C 13 61.375 0.052 . 1 . . . A 18 THR CA . 17553 1 183 . 1 1 18 18 THR CB C 13 69.319 0.009 . 1 . . . A 18 THR CB . 17553 1 184 . 1 1 18 18 THR CG2 C 13 21.711 0.000 . 1 . . . A 18 THR CG2 . 17553 1 185 . 1 1 18 18 THR N N 15 110.060 0.024 . 1 . . . A 18 THR N . 17553 1 186 . 1 1 19 19 MET H H 1 7.464 0.004 . 1 . . . A 19 MET H . 17553 1 187 . 1 1 19 19 MET HA H 1 4.330 0.008 . 1 . . . A 19 MET HA . 17553 1 188 . 1 1 19 19 MET HB3 H 1 2.104 0.006 . 2 . . . A 19 MET HB3 . 17553 1 189 . 1 1 19 19 MET HG2 H 1 2.567 0.000 . 2 . . . A 19 MET HG2 . 17553 1 190 . 1 1 19 19 MET HG3 H 1 2.423 0.000 . 2 . . . A 19 MET HG3 . 17553 1 191 . 1 1 19 19 MET HE1 H 1 2.020 0.000 . 1 . . . A 19 MET HE1 . 17553 1 192 . 1 1 19 19 MET HE2 H 1 2.020 0.000 . 1 . . . A 19 MET HE2 . 17553 1 193 . 1 1 19 19 MET HE3 H 1 2.020 0.000 . 1 . . . A 19 MET HE3 . 17553 1 194 . 1 1 19 19 MET C C 13 175.806 0.000 . 1 . . . A 19 MET C . 17553 1 195 . 1 1 19 19 MET CA C 13 56.728 0.026 . 1 . . . A 19 MET CA . 17553 1 196 . 1 1 19 19 MET CB C 13 34.218 0.010 . 1 . . . A 19 MET CB . 17553 1 197 . 1 1 19 19 MET CG C 13 31.687 0.021 . 1 . . . A 19 MET CG . 17553 1 198 . 1 1 19 19 MET CE C 13 17.429 0.000 . 1 . . . A 19 MET CE . 17553 1 199 . 1 1 19 19 MET N N 15 122.566 0.016 . 1 . . . A 19 MET N . 17553 1 200 . 1 1 20 20 MET H H 1 8.846 0.003 . 1 . . . A 20 MET H . 17553 1 201 . 1 1 20 20 MET HA H 1 4.586 0.002 . 1 . . . A 20 MET HA . 17553 1 202 . 1 1 20 20 MET HB3 H 1 2.112 0.006 . 2 . . . A 20 MET HB3 . 17553 1 203 . 1 1 20 20 MET C C 13 174.651 0.000 . 1 . . . A 20 MET C . 17553 1 204 . 1 1 20 20 MET CA C 13 54.780 0.025 . 1 . . . A 20 MET CA . 17553 1 205 . 1 1 20 20 MET CB C 13 31.384 0.008 . 1 . . . A 20 MET CB . 17553 1 206 . 1 1 20 20 MET N N 15 126.939 0.029 . 1 . . . A 20 MET N . 17553 1 207 . 1 1 21 21 ALA H H 1 7.970 0.004 . 1 . . . A 21 ALA H . 17553 1 208 . 1 1 21 21 ALA HA H 1 4.805 0.000 . 1 . . . A 21 ALA HA . 17553 1 209 . 1 1 21 21 ALA HB1 H 1 1.448 0.008 . 1 . . . A 21 ALA HB1 . 17553 1 210 . 1 1 21 21 ALA HB2 H 1 1.448 0.008 . 1 . . . A 21 ALA HB2 . 17553 1 211 . 1 1 21 21 ALA HB3 H 1 1.448 0.008 . 1 . . . A 21 ALA HB3 . 17553 1 212 . 1 1 21 21 ALA C C 13 176.899 0.000 . 1 . . . A 21 ALA C . 17553 1 213 . 1 1 21 21 ALA CA C 13 51.048 0.000 . 1 . . . A 21 ALA CA . 17553 1 214 . 1 1 21 21 ALA CB C 13 20.932 0.013 . 1 . . . A 21 ALA CB . 17553 1 215 . 1 1 21 21 ALA N N 15 125.536 0.020 . 1 . . . A 21 ALA N . 17553 1 216 . 1 1 22 22 SER H H 1 10.082 0.002 . 1 . . . A 22 SER H . 17553 1 217 . 1 1 22 22 SER HA H 1 4.610 0.000 . 1 . . . A 22 SER HA . 17553 1 218 . 1 1 22 22 SER HB2 H 1 4.104 0.000 . 2 . . . A 22 SER HB2 . 17553 1 219 . 1 1 22 22 SER HB3 H 1 4.443 0.000 . 2 . . . A 22 SER HB3 . 17553 1 220 . 1 1 22 22 SER C C 13 175.090 0.000 . 1 . . . A 22 SER C . 17553 1 221 . 1 1 22 22 SER CA C 13 57.214 0.032 . 1 . . . A 22 SER CA . 17553 1 222 . 1 1 22 22 SER CB C 13 65.632 0.033 . 1 . . . A 22 SER CB . 17553 1 223 . 1 1 22 22 SER N N 15 121.208 0.011 . 1 . . . A 22 SER N . 17553 1 224 . 1 1 23 23 ASN H H 1 9.236 0.000 . 1 . . . A 23 ASN H . 17553 1 225 . 1 1 23 23 ASN HA H 1 4.421 0.007 . 1 . . . A 23 ASN HA . 17553 1 226 . 1 1 23 23 ASN HB3 H 1 2.858 0.007 . 2 . . . A 23 ASN HB3 . 17553 1 227 . 1 1 23 23 ASN HD21 H 1 7.779 0.000 . 2 . . . A 23 ASN HD21 . 17553 1 228 . 1 1 23 23 ASN HD22 H 1 7.078 0.000 . 2 . . . A 23 ASN HD22 . 17553 1 229 . 1 1 23 23 ASN C C 13 178.317 0.000 . 1 . . . A 23 ASN C . 17553 1 230 . 1 1 23 23 ASN CA C 13 57.007 0.049 . 1 . . . A 23 ASN CA . 17553 1 231 . 1 1 23 23 ASN CB C 13 37.665 0.035 . 1 . . . A 23 ASN CB . 17553 1 232 . 1 1 23 23 ASN N N 15 120.074 0.000 . 1 . . . A 23 ASN N . 17553 1 233 . 1 1 23 23 ASN ND2 N 15 113.480 0.001 . 1 . . . A 23 ASN ND2 . 17553 1 234 . 1 1 24 24 ASP H H 1 8.352 0.006 . 1 . . . A 24 ASP H . 17553 1 235 . 1 1 24 24 ASP HA H 1 4.432 0.001 . 1 . . . A 24 ASP HA . 17553 1 236 . 1 1 24 24 ASP HB2 H 1 2.526 0.000 . 2 . . . A 24 ASP HB2 . 17553 1 237 . 1 1 24 24 ASP HB3 H 1 2.610 0.004 . 2 . . . A 24 ASP HB3 . 17553 1 238 . 1 1 24 24 ASP C C 13 178.759 0.000 . 1 . . . A 24 ASP C . 17553 1 239 . 1 1 24 24 ASP CA C 13 57.505 0.004 . 1 . . . A 24 ASP CA . 17553 1 240 . 1 1 24 24 ASP CB C 13 40.672 0.015 . 1 . . . A 24 ASP CB . 17553 1 241 . 1 1 24 24 ASP N N 15 120.286 0.044 . 1 . . . A 24 ASP N . 17553 1 242 . 1 1 25 25 ASP H H 1 8.062 0.003 . 1 . . . A 25 ASP H . 17553 1 243 . 1 1 25 25 ASP HA H 1 4.190 0.001 . 1 . . . A 25 ASP HA . 17553 1 244 . 1 1 25 25 ASP HB2 H 1 2.337 0.005 . 2 . . . A 25 ASP HB2 . 17553 1 245 . 1 1 25 25 ASP HB3 H 1 3.019 0.009 . 2 . . . A 25 ASP HB3 . 17553 1 246 . 1 1 25 25 ASP C C 13 178.116 0.000 . 1 . . . A 25 ASP C . 17553 1 247 . 1 1 25 25 ASP CA C 13 57.897 0.016 . 1 . . . A 25 ASP CA . 17553 1 248 . 1 1 25 25 ASP CB C 13 41.019 0.012 . 1 . . . A 25 ASP CB . 17553 1 249 . 1 1 25 25 ASP N N 15 122.760 0.005 . 1 . . . A 25 ASP N . 17553 1 250 . 1 1 26 26 LYS H H 1 8.423 0.004 . 1 . . . A 26 LYS H . 17553 1 251 . 1 1 26 26 LYS HA H 1 4.152 0.005 . 1 . . . A 26 LYS HA . 17553 1 252 . 1 1 26 26 LYS HB3 H 1 1.967 0.005 . 2 . . . A 26 LYS HB3 . 17553 1 253 . 1 1 26 26 LYS HG2 H 1 1.477 0.003 . 2 . . . A 26 LYS HG2 . 17553 1 254 . 1 1 26 26 LYS HG3 H 1 1.727 0.000 . 2 . . . A 26 LYS HG3 . 17553 1 255 . 1 1 26 26 LYS HD2 H 1 1.686 0.000 . 2 . . . A 26 LYS HD2 . 17553 1 256 . 1 1 26 26 LYS HD3 H 1 1.751 0.000 . 2 . . . A 26 LYS HD3 . 17553 1 257 . 1 1 26 26 LYS C C 13 180.288 0.000 . 1 . . . A 26 LYS C . 17553 1 258 . 1 1 26 26 LYS CA C 13 60.865 0.014 . 1 . . . A 26 LYS CA . 17553 1 259 . 1 1 26 26 LYS CB C 13 32.376 0.018 . 1 . . . A 26 LYS CB . 17553 1 260 . 1 1 26 26 LYS CG C 13 26.589 0.017 . 1 . . . A 26 LYS CG . 17553 1 261 . 1 1 26 26 LYS CD C 13 29.755 0.010 . 1 . . . A 26 LYS CD . 17553 1 262 . 1 1 26 26 LYS N N 15 118.211 0.020 . 1 . . . A 26 LYS N . 17553 1 263 . 1 1 27 27 LEU H H 1 7.896 0.005 . 1 . . . A 27 LEU H . 17553 1 264 . 1 1 27 27 LEU HA H 1 4.250 0.003 . 1 . . . A 27 LEU HA . 17553 1 265 . 1 1 27 27 LEU HB3 H 1 1.839 0.006 . 2 . . . A 27 LEU HB3 . 17553 1 266 . 1 1 27 27 LEU HG H 1 1.743 0.000 . 1 . . . A 27 LEU HG . 17553 1 267 . 1 1 27 27 LEU HD11 H 1 0.971 0.000 . 1 . . . A 27 LEU HD11 . 17553 1 268 . 1 1 27 27 LEU HD12 H 1 0.971 0.000 . 1 . . . A 27 LEU HD12 . 17553 1 269 . 1 1 27 27 LEU HD13 H 1 0.971 0.000 . 1 . . . A 27 LEU HD13 . 17553 1 270 . 1 1 27 27 LEU HD21 H 1 0.893 0.000 . 1 . . . A 27 LEU HD21 . 17553 1 271 . 1 1 27 27 LEU HD22 H 1 0.893 0.000 . 1 . . . A 27 LEU HD22 . 17553 1 272 . 1 1 27 27 LEU HD23 H 1 0.893 0.000 . 1 . . . A 27 LEU HD23 . 17553 1 273 . 1 1 27 27 LEU C C 13 178.695 0.000 . 1 . . . A 27 LEU C . 17553 1 274 . 1 1 27 27 LEU CA C 13 57.775 0.043 . 1 . . . A 27 LEU CA . 17553 1 275 . 1 1 27 27 LEU CB C 13 41.868 0.011 . 1 . . . A 27 LEU CB . 17553 1 276 . 1 1 27 27 LEU CG C 13 27.045 0.000 . 1 . . . A 27 LEU CG . 17553 1 277 . 1 1 27 27 LEU CD1 C 13 24.682 0.000 . 2 . . . A 27 LEU CD1 . 17553 1 278 . 1 1 27 27 LEU CD2 C 13 25.108 0.000 . 2 . . . A 27 LEU CD2 . 17553 1 279 . 1 1 27 27 LEU N N 15 122.519 0.034 . 1 . . . A 27 LEU N . 17553 1 280 . 1 1 28 28 CYS H H 1 7.744 0.002 . 1 . . . A 28 CYS H . 17553 1 281 . 1 1 28 28 CYS HA H 1 3.835 0.007 . 1 . . . A 28 CYS HA . 17553 1 282 . 1 1 28 28 CYS HB2 H 1 3.144 0.007 . 2 . . . A 28 CYS HB2 . 17553 1 283 . 1 1 28 28 CYS HB3 H 1 2.406 0.012 . 2 . . . A 28 CYS HB3 . 17553 1 284 . 1 1 28 28 CYS C C 13 175.747 0.000 . 1 . . . A 28 CYS C . 17553 1 285 . 1 1 28 28 CYS CA C 13 63.309 0.062 . 1 . . . A 28 CYS CA . 17553 1 286 . 1 1 28 28 CYS CB C 13 26.461 0.021 . 1 . . . A 28 CYS CB . 17553 1 287 . 1 1 28 28 CYS N N 15 117.866 0.040 . 1 . . . A 28 CYS N . 17553 1 288 . 1 1 29 29 PHE H H 1 8.402 0.004 . 1 . . . A 29 PHE H . 17553 1 289 . 1 1 29 29 PHE HA H 1 4.292 0.002 . 1 . . . A 29 PHE HA . 17553 1 290 . 1 1 29 29 PHE HB2 H 1 2.869 0.006 . 2 . . . A 29 PHE HB2 . 17553 1 291 . 1 1 29 29 PHE HB3 H 1 3.201 0.010 . 2 . . . A 29 PHE HB3 . 17553 1 292 . 1 1 29 29 PHE HD1 H 1 6.439 0.000 . 3 . . . A 29 PHE HD1 . 17553 1 293 . 1 1 29 29 PHE HD2 H 1 6.439 0.000 . 3 . . . A 29 PHE HD2 . 17553 1 294 . 1 1 29 29 PHE C C 13 177.885 0.000 . 1 . . . A 29 PHE C . 17553 1 295 . 1 1 29 29 PHE CA C 13 62.478 0.009 . 1 . . . A 29 PHE CA . 17553 1 296 . 1 1 29 29 PHE CB C 13 38.061 0.019 . 1 . . . A 29 PHE CB . 17553 1 297 . 1 1 29 29 PHE CD1 C 13 130.712 0.000 . 3 . . . A 29 PHE CD1 . 17553 1 298 . 1 1 29 29 PHE CD2 C 13 130.712 0.000 . 3 . . . A 29 PHE CD2 . 17553 1 299 . 1 1 29 29 PHE N N 15 117.889 0.027 . 1 . . . A 29 PHE N . 17553 1 300 . 1 1 30 30 TYR H H 1 7.881 0.010 . 1 . . . A 30 TYR H . 17553 1 301 . 1 1 30 30 TYR HA H 1 4.259 0.011 . 1 . . . A 30 TYR HA . 17553 1 302 . 1 1 30 30 TYR HB3 H 1 3.256 0.000 . 2 . . . A 30 TYR HB3 . 17553 1 303 . 1 1 30 30 TYR HD1 H 1 7.081 0.000 . 3 . . . A 30 TYR HD1 . 17553 1 304 . 1 1 30 30 TYR HD2 H 1 7.081 0.000 . 3 . . . A 30 TYR HD2 . 17553 1 305 . 1 1 30 30 TYR C C 13 176.751 0.000 . 1 . . . A 30 TYR C . 17553 1 306 . 1 1 30 30 TYR CA C 13 62.117 0.077 . 1 . . . A 30 TYR CA . 17553 1 307 . 1 1 30 30 TYR CB C 13 38.121 0.044 . 1 . . . A 30 TYR CB . 17553 1 308 . 1 1 30 30 TYR CD1 C 13 133.093 0.000 . 3 . . . A 30 TYR CD1 . 17553 1 309 . 1 1 30 30 TYR CD2 C 13 133.093 0.000 . 3 . . . A 30 TYR CD2 . 17553 1 310 . 1 1 30 30 TYR N N 15 117.002 0.035 . 1 . . . A 30 TYR N . 17553 1 311 . 1 1 31 31 LYS H H 1 8.566 0.002 . 1 . . . A 31 LYS H . 17553 1 312 . 1 1 31 31 LYS HA H 1 3.568 0.008 . 1 . . . A 31 LYS HA . 17553 1 313 . 1 1 31 31 LYS HB2 H 1 1.592 0.010 . 2 . . . A 31 LYS HB2 . 17553 1 314 . 1 1 31 31 LYS HB3 H 1 1.766 0.004 . 2 . . . A 31 LYS HB3 . 17553 1 315 . 1 1 31 31 LYS HG2 H 1 2.082 0.000 . 2 . . . A 31 LYS HG2 . 17553 1 316 . 1 1 31 31 LYS HG3 H 1 0.517 0.000 . 2 . . . A 31 LYS HG3 . 17553 1 317 . 1 1 31 31 LYS HE2 H 1 2.590 0.000 . 2 . . . A 31 LYS HE2 . 17553 1 318 . 1 1 31 31 LYS HE3 H 1 2.459 0.000 . 2 . . . A 31 LYS HE3 . 17553 1 319 . 1 1 31 31 LYS C C 13 176.880 0.000 . 1 . . . A 31 LYS C . 17553 1 320 . 1 1 31 31 LYS CA C 13 59.483 0.027 . 1 . . . A 31 LYS CA . 17553 1 321 . 1 1 31 31 LYS CB C 13 30.151 0.032 . 1 . . . A 31 LYS CB . 17553 1 322 . 1 1 31 31 LYS CG C 13 23.879 0.060 . 1 . . . A 31 LYS CG . 17553 1 323 . 1 1 31 31 LYS CE C 13 42.562 0.015 . 1 . . . A 31 LYS CE . 17553 1 324 . 1 1 31 31 LYS N N 15 118.788 0.021 . 1 . . . A 31 LYS N . 17553 1 325 . 1 1 32 32 TYR H H 1 8.049 0.003 . 1 . . . A 32 TYR H . 17553 1 326 . 1 1 32 32 TYR HA H 1 4.570 0.013 . 1 . . . A 32 TYR HA . 17553 1 327 . 1 1 32 32 TYR HB2 H 1 3.125 0.008 . 2 . . . A 32 TYR HB2 . 17553 1 328 . 1 1 32 32 TYR HB3 H 1 3.818 0.003 . 2 . . . A 32 TYR HB3 . 17553 1 329 . 1 1 32 32 TYR HD1 H 1 6.841 0.000 . 3 . . . A 32 TYR HD1 . 17553 1 330 . 1 1 32 32 TYR HD2 H 1 6.841 0.000 . 3 . . . A 32 TYR HD2 . 17553 1 331 . 1 1 32 32 TYR HE1 H 1 6.668 0.000 . 3 . . . A 32 TYR HE1 . 17553 1 332 . 1 1 32 32 TYR HE2 H 1 6.668 0.000 . 3 . . . A 32 TYR HE2 . 17553 1 333 . 1 1 32 32 TYR C C 13 177.642 0.000 . 1 . . . A 32 TYR C . 17553 1 334 . 1 1 32 32 TYR CA C 13 59.717 0.089 . 1 . . . A 32 TYR CA . 17553 1 335 . 1 1 32 32 TYR CB C 13 37.858 0.005 . 1 . . . A 32 TYR CB . 17553 1 336 . 1 1 32 32 TYR CD1 C 13 132.154 0.000 . 3 . . . A 32 TYR CD1 . 17553 1 337 . 1 1 32 32 TYR CD2 C 13 132.154 0.000 . 3 . . . A 32 TYR CD2 . 17553 1 338 . 1 1 32 32 TYR CE1 C 13 117.931 0.000 . 3 . . . A 32 TYR CE1 . 17553 1 339 . 1 1 32 32 TYR CE2 C 13 117.931 0.000 . 3 . . . A 32 TYR CE2 . 17553 1 340 . 1 1 32 32 TYR N N 15 119.691 0.021 . 1 . . . A 32 TYR N . 17553 1 341 . 1 1 33 33 TYR H H 1 8.659 0.002 . 1 . . . A 33 TYR H . 17553 1 342 . 1 1 33 33 TYR HA H 1 3.996 0.004 . 1 . . . A 33 TYR HA . 17553 1 343 . 1 1 33 33 TYR HB2 H 1 3.233 0.010 . 2 . . . A 33 TYR HB2 . 17553 1 344 . 1 1 33 33 TYR HB3 H 1 3.547 0.004 . 2 . . . A 33 TYR HB3 . 17553 1 345 . 1 1 33 33 TYR HD1 H 1 6.717 0.000 . 3 . . . A 33 TYR HD1 . 17553 1 346 . 1 1 33 33 TYR HD2 H 1 6.717 0.000 . 3 . . . A 33 TYR HD2 . 17553 1 347 . 1 1 33 33 TYR HE1 H 1 6.728 0.000 . 3 . . . A 33 TYR HE1 . 17553 1 348 . 1 1 33 33 TYR HE2 H 1 6.728 0.000 . 3 . . . A 33 TYR HE2 . 17553 1 349 . 1 1 33 33 TYR C C 13 179.569 0.000 . 1 . . . A 33 TYR C . 17553 1 350 . 1 1 33 33 TYR CA C 13 63.094 0.033 . 1 . . . A 33 TYR CA . 17553 1 351 . 1 1 33 33 TYR CB C 13 38.709 0.044 . 1 . . . A 33 TYR CB . 17553 1 352 . 1 1 33 33 TYR CD1 C 13 132.528 0.000 . 3 . . . A 33 TYR CD1 . 17553 1 353 . 1 1 33 33 TYR CD2 C 13 132.528 0.000 . 3 . . . A 33 TYR CD2 . 17553 1 354 . 1 1 33 33 TYR CE1 C 13 118.557 0.000 . 3 . . . A 33 TYR CE1 . 17553 1 355 . 1 1 33 33 TYR CE2 C 13 118.557 0.000 . 3 . . . A 33 TYR CE2 . 17553 1 356 . 1 1 33 33 TYR N N 15 119.966 0.030 . 1 . . . A 33 TYR N . 17553 1 357 . 1 1 34 34 LYS H H 1 8.154 0.000 . 1 . . . A 34 LYS H . 17553 1 358 . 1 1 34 34 LYS HA H 1 3.188 0.008 . 1 . . . A 34 LYS HA . 17553 1 359 . 1 1 34 34 LYS HB2 H 1 0.251 0.007 . 2 . . . A 34 LYS HB2 . 17553 1 360 . 1 1 34 34 LYS HB3 H 1 -0.535 0.011 . 2 . . . A 34 LYS HB3 . 17553 1 361 . 1 1 34 34 LYS HG2 H 1 0.557 0.009 . 2 . . . A 34 LYS HG2 . 17553 1 362 . 1 1 34 34 LYS HG3 H 1 -0.064 0.000 . 2 . . . A 34 LYS HG3 . 17553 1 363 . 1 1 34 34 LYS HD2 H 1 1.169 0.003 . 2 . . . A 34 LYS HD2 . 17553 1 364 . 1 1 34 34 LYS HD3 H 1 0.811 0.003 . 2 . . . A 34 LYS HD3 . 17553 1 365 . 1 1 34 34 LYS HE3 H 1 2.421 0.000 . 2 . . . A 34 LYS HE3 . 17553 1 366 . 1 1 34 34 LYS C C 13 178.265 0.000 . 1 . . . A 34 LYS C . 17553 1 367 . 1 1 34 34 LYS CA C 13 56.653 0.057 . 1 . . . A 34 LYS CA . 17553 1 368 . 1 1 34 34 LYS CB C 13 27.195 0.057 . 1 . . . A 34 LYS CB . 17553 1 369 . 1 1 34 34 LYS CG C 13 22.523 0.020 . 1 . . . A 34 LYS CG . 17553 1 370 . 1 1 34 34 LYS CD C 13 26.412 0.055 . 1 . . . A 34 LYS CD . 17553 1 371 . 1 1 34 34 LYS CE C 13 41.707 0.000 . 1 . . . A 34 LYS CE . 17553 1 372 . 1 1 34 34 LYS N N 15 119.952 0.003 . 1 . . . A 34 LYS N . 17553 1 373 . 1 1 35 35 GLN H H 1 8.058 0.003 . 1 . . . A 35 GLN H . 17553 1 374 . 1 1 35 35 GLN HA H 1 4.293 0.005 . 1 . . . A 35 GLN HA . 17553 1 375 . 1 1 35 35 GLN HB2 H 1 2.650 0.006 . 2 . . . A 35 GLN HB2 . 17553 1 376 . 1 1 35 35 GLN HB3 H 1 1.825 0.012 . 2 . . . A 35 GLN HB3 . 17553 1 377 . 1 1 35 35 GLN HG2 H 1 1.757 0.000 . 2 . . . A 35 GLN HG2 . 17553 1 378 . 1 1 35 35 GLN HG3 H 1 2.118 0.000 . 2 . . . A 35 GLN HG3 . 17553 1 379 . 1 1 35 35 GLN C C 13 176.814 0.000 . 1 . . . A 35 GLN C . 17553 1 380 . 1 1 35 35 GLN CA C 13 57.507 0.065 . 1 . . . A 35 GLN CA . 17553 1 381 . 1 1 35 35 GLN CB C 13 27.467 0.069 . 1 . . . A 35 GLN CB . 17553 1 382 . 1 1 35 35 GLN CG C 13 32.385 0.020 . 1 . . . A 35 GLN CG . 17553 1 383 . 1 1 35 35 GLN N N 15 121.417 0.013 . 1 . . . A 35 GLN N . 17553 1 384 . 1 1 36 36 ALA H H 1 8.004 0.003 . 1 . . . A 36 ALA H . 17553 1 385 . 1 1 36 36 ALA HA H 1 3.994 0.008 . 1 . . . A 36 ALA HA . 17553 1 386 . 1 1 36 36 ALA HB1 H 1 0.909 0.010 . 1 . . . A 36 ALA HB1 . 17553 1 387 . 1 1 36 36 ALA HB2 H 1 0.909 0.010 . 1 . . . A 36 ALA HB2 . 17553 1 388 . 1 1 36 36 ALA HB3 H 1 0.909 0.010 . 1 . . . A 36 ALA HB3 . 17553 1 389 . 1 1 36 36 ALA C C 13 177.940 0.000 . 1 . . . A 36 ALA C . 17553 1 390 . 1 1 36 36 ALA CA C 13 54.116 0.032 . 1 . . . A 36 ALA CA . 17553 1 391 . 1 1 36 36 ALA CB C 13 21.701 0.045 . 1 . . . A 36 ALA CB . 17553 1 392 . 1 1 36 36 ALA N N 15 115.844 0.035 . 1 . . . A 36 ALA N . 17553 1 393 . 1 1 37 37 THR H H 1 7.338 0.004 . 1 . . . A 37 THR H . 17553 1 394 . 1 1 37 37 THR HA H 1 4.161 0.001 . 1 . . . A 37 THR HA . 17553 1 395 . 1 1 37 37 THR HB H 1 3.922 0.001 . 1 . . . A 37 THR HB . 17553 1 396 . 1 1 37 37 THR HG21 H 1 0.858 0.003 . 1 . . . A 37 THR HG21 . 17553 1 397 . 1 1 37 37 THR HG22 H 1 0.858 0.003 . 1 . . . A 37 THR HG22 . 17553 1 398 . 1 1 37 37 THR HG23 H 1 0.858 0.003 . 1 . . . A 37 THR HG23 . 17553 1 399 . 1 1 37 37 THR C C 13 175.321 0.000 . 1 . . . A 37 THR C . 17553 1 400 . 1 1 37 37 THR CA C 13 62.223 0.024 . 1 . . . A 37 THR CA . 17553 1 401 . 1 1 37 37 THR CB C 13 70.540 0.024 . 1 . . . A 37 THR CB . 17553 1 402 . 1 1 37 37 THR CG2 C 13 21.004 0.020 . 1 . . . A 37 THR CG2 . 17553 1 403 . 1 1 37 37 THR N N 15 104.718 0.023 . 1 . . . A 37 THR N . 17553 1 404 . 1 1 38 38 VAL H H 1 8.470 0.002 . 1 . . . A 38 VAL H . 17553 1 405 . 1 1 38 38 VAL HA H 1 4.062 0.007 . 1 . . . A 38 VAL HA . 17553 1 406 . 1 1 38 38 VAL HB H 1 2.292 0.009 . 1 . . . A 38 VAL HB . 17553 1 407 . 1 1 38 38 VAL HG11 H 1 1.118 0.000 . 1 . . . A 38 VAL HG11 . 17553 1 408 . 1 1 38 38 VAL HG12 H 1 1.118 0.000 . 1 . . . A 38 VAL HG12 . 17553 1 409 . 1 1 38 38 VAL HG13 H 1 1.118 0.000 . 1 . . . A 38 VAL HG13 . 17553 1 410 . 1 1 38 38 VAL HG21 H 1 0.998 0.000 . 1 . . . A 38 VAL HG21 . 17553 1 411 . 1 1 38 38 VAL HG22 H 1 0.998 0.000 . 1 . . . A 38 VAL HG22 . 17553 1 412 . 1 1 38 38 VAL HG23 H 1 0.998 0.000 . 1 . . . A 38 VAL HG23 . 17553 1 413 . 1 1 38 38 VAL C C 13 176.653 0.000 . 1 . . . A 38 VAL C . 17553 1 414 . 1 1 38 38 VAL CA C 13 63.747 0.007 . 1 . . . A 38 VAL CA . 17553 1 415 . 1 1 38 38 VAL CB C 13 32.957 0.015 . 1 . . . A 38 VAL CB . 17553 1 416 . 1 1 38 38 VAL CG1 C 13 21.505 0.000 . 2 . . . A 38 VAL CG1 . 17553 1 417 . 1 1 38 38 VAL CG2 C 13 22.062 0.000 . 2 . . . A 38 VAL CG2 . 17553 1 418 . 1 1 38 38 VAL N N 15 123.486 0.043 . 1 . . . A 38 VAL N . 17553 1 419 . 1 1 39 39 GLY H H 1 7.779 0.003 . 1 . . . A 39 GLY H . 17553 1 420 . 1 1 39 39 GLY HA2 H 1 4.384 0.006 . 2 . . . A 39 GLY HA2 . 17553 1 421 . 1 1 39 39 GLY HA3 H 1 3.971 0.002 . 2 . . . A 39 GLY HA3 . 17553 1 422 . 1 1 39 39 GLY C C 13 172.165 0.000 . 1 . . . A 39 GLY C . 17553 1 423 . 1 1 39 39 GLY CA C 13 43.413 0.014 . 1 . . . A 39 GLY CA . 17553 1 424 . 1 1 39 39 GLY N N 15 110.048 0.013 . 1 . . . A 39 GLY N . 17553 1 425 . 1 1 40 40 ASP H H 1 8.246 0.006 . 1 . . . A 40 ASP H . 17553 1 426 . 1 1 40 40 ASP HA H 1 4.453 0.007 . 1 . . . A 40 ASP HA . 17553 1 427 . 1 1 40 40 ASP HB2 H 1 2.342 0.008 . 2 . . . A 40 ASP HB2 . 17553 1 428 . 1 1 40 40 ASP HB3 H 1 2.444 0.011 . 2 . . . A 40 ASP HB3 . 17553 1 429 . 1 1 40 40 ASP C C 13 176.510 0.000 . 1 . . . A 40 ASP C . 17553 1 430 . 1 1 40 40 ASP CA C 13 54.422 0.093 . 1 . . . A 40 ASP CA . 17553 1 431 . 1 1 40 40 ASP CB C 13 41.175 0.024 . 1 . . . A 40 ASP CB . 17553 1 432 . 1 1 40 40 ASP N N 15 119.900 0.027 . 1 . . . A 40 ASP N . 17553 1 433 . 1 1 41 41 CYS H H 1 8.532 0.003 . 1 . . . A 41 CYS H . 17553 1 434 . 1 1 41 41 CYS HA H 1 1.875 0.008 . 1 . . . A 41 CYS HA . 17553 1 435 . 1 1 41 41 CYS HB2 H 1 1.886 0.000 . 2 . . . A 41 CYS HB2 . 17553 1 436 . 1 1 41 41 CYS HB3 H 1 0.508 0.005 . 2 . . . A 41 CYS HB3 . 17553 1 437 . 1 1 41 41 CYS C C 13 175.112 0.000 . 1 . . . A 41 CYS C . 17553 1 438 . 1 1 41 41 CYS CA C 13 60.273 0.033 . 1 . . . A 41 CYS CA . 17553 1 439 . 1 1 41 41 CYS CB C 13 25.094 0.062 . 1 . . . A 41 CYS CB . 17553 1 440 . 1 1 41 41 CYS N N 15 121.374 0.012 . 1 . . . A 41 CYS N . 17553 1 441 . 1 1 42 42 ASN H H 1 7.293 0.005 . 1 . . . A 42 ASN H . 17553 1 442 . 1 1 42 42 ASN HA H 1 4.835 0.000 . 1 . . . A 42 ASN HA . 17553 1 443 . 1 1 42 42 ASN HB2 H 1 3.067 0.009 . 2 . . . A 42 ASN HB2 . 17553 1 444 . 1 1 42 42 ASN HB3 H 1 2.714 0.004 . 2 . . . A 42 ASN HB3 . 17553 1 445 . 1 1 42 42 ASN HD21 H 1 7.575 0.001 . 2 . . . A 42 ASN HD21 . 17553 1 446 . 1 1 42 42 ASN HD22 H 1 6.746 0.003 . 2 . . . A 42 ASN HD22 . 17553 1 447 . 1 1 42 42 ASN C C 13 175.029 0.000 . 1 . . . A 42 ASN C . 17553 1 448 . 1 1 42 42 ASN CA C 13 52.067 0.000 . 1 . . . A 42 ASN CA . 17553 1 449 . 1 1 42 42 ASN CB C 13 37.681 0.010 . 1 . . . A 42 ASN CB . 17553 1 450 . 1 1 42 42 ASN N N 15 128.445 0.006 . 1 . . . A 42 ASN N . 17553 1 451 . 1 1 42 42 ASN ND2 N 15 110.085 0.025 . 1 . . . A 42 ASN ND2 . 17553 1 452 . 1 1 43 43 LYS H H 1 7.290 0.003 . 1 . . . A 43 LYS H . 17553 1 453 . 1 1 43 43 LYS HB2 H 1 1.828 0.004 . 2 . . . A 43 LYS HB2 . 17553 1 454 . 1 1 43 43 LYS HB3 H 1 2.104 0.001 . 2 . . . A 43 LYS HB3 . 17553 1 455 . 1 1 43 43 LYS HG2 H 1 1.894 0.000 . 2 . . . A 43 LYS HG2 . 17553 1 456 . 1 1 43 43 LYS HG3 H 1 1.726 0.000 . 2 . . . A 43 LYS HG3 . 17553 1 457 . 1 1 43 43 LYS HD3 H 1 1.971 0.000 . 2 . . . A 43 LYS HD3 . 17553 1 458 . 1 1 43 43 LYS HE3 H 1 3.250 0.002 . 2 . . . A 43 LYS HE3 . 17553 1 459 . 1 1 43 43 LYS C C 13 174.848 0.000 . 1 . . . A 43 LYS C . 17553 1 460 . 1 1 43 43 LYS CA C 13 52.951 0.000 . 1 . . . A 43 LYS CA . 17553 1 461 . 1 1 43 43 LYS CB C 13 34.267 0.032 . 1 . . . A 43 LYS CB . 17553 1 462 . 1 1 43 43 LYS CG C 13 24.373 0.043 . 1 . . . A 43 LYS CG . 17553 1 463 . 1 1 43 43 LYS CD C 13 29.157 0.000 . 1 . . . A 43 LYS CD . 17553 1 464 . 1 1 43 43 LYS CE C 13 42.368 0.000 . 1 . . . A 43 LYS CE . 17553 1 465 . 1 1 43 43 LYS N N 15 119.964 0.026 . 1 . . . A 43 LYS N . 17553 1 466 . 1 1 44 44 PRO HA H 1 4.464 0.009 . 1 . . . A 44 PRO HA . 17553 1 467 . 1 1 44 44 PRO HB2 H 1 2.216 0.006 . 2 . . . A 44 PRO HB2 . 17553 1 468 . 1 1 44 44 PRO HB3 H 1 1.744 0.011 . 2 . . . A 44 PRO HB3 . 17553 1 469 . 1 1 44 44 PRO HG3 H 1 1.978 0.003 . 2 . . . A 44 PRO HG3 . 17553 1 470 . 1 1 44 44 PRO HD2 H 1 3.874 0.004 . 2 . . . A 44 PRO HD2 . 17553 1 471 . 1 1 44 44 PRO HD3 H 1 3.659 0.002 . 2 . . . A 44 PRO HD3 . 17553 1 472 . 1 1 44 44 PRO C C 13 175.233 0.000 . 1 . . . A 44 PRO C . 17553 1 473 . 1 1 44 44 PRO CA C 13 62.252 0.004 . 1 . . . A 44 PRO CA . 17553 1 474 . 1 1 44 44 PRO CB C 13 32.172 0.038 . 1 . . . A 44 PRO CB . 17553 1 475 . 1 1 44 44 PRO CG C 13 27.246 0.014 . 1 . . . A 44 PRO CG . 17553 1 476 . 1 1 44 44 PRO CD C 13 50.701 0.027 . 1 . . . A 44 PRO CD . 17553 1 477 . 1 1 45 45 LYS H H 1 8.079 0.005 . 1 . . . A 45 LYS H . 17553 1 478 . 1 1 45 45 LYS HA H 1 2.287 0.013 . 1 . . . A 45 LYS HA . 17553 1 479 . 1 1 45 45 LYS HB2 H 1 0.647 0.006 . 2 . . . A 45 LYS HB2 . 17553 1 480 . 1 1 45 45 LYS HB3 H 1 1.006 0.001 . 2 . . . A 45 LYS HB3 . 17553 1 481 . 1 1 45 45 LYS HG2 H 1 0.234 0.006 . 2 . . . A 45 LYS HG2 . 17553 1 482 . 1 1 45 45 LYS HG3 H 1 0.946 0.000 . 2 . . . A 45 LYS HG3 . 17553 1 483 . 1 1 45 45 LYS HD3 H 1 1.350 0.002 . 2 . . . A 45 LYS HD3 . 17553 1 484 . 1 1 45 45 LYS HE3 H 1 2.798 0.004 . 2 . . . A 45 LYS HE3 . 17553 1 485 . 1 1 45 45 LYS C C 13 175.137 0.000 . 1 . . . A 45 LYS C . 17553 1 486 . 1 1 45 45 LYS CA C 13 54.368 0.024 . 1 . . . A 45 LYS CA . 17553 1 487 . 1 1 45 45 LYS CB C 13 32.529 0.032 . 1 . . . A 45 LYS CB . 17553 1 488 . 1 1 45 45 LYS CG C 13 23.692 0.013 . 1 . . . A 45 LYS CG . 17553 1 489 . 1 1 45 45 LYS CD C 13 29.616 0.006 . 1 . . . A 45 LYS CD . 17553 1 490 . 1 1 45 45 LYS CE C 13 41.968 0.020 . 1 . . . A 45 LYS CE . 17553 1 491 . 1 1 45 45 LYS N N 15 123.250 0.032 . 1 . . . A 45 LYS N . 17553 1 492 . 1 1 46 46 PRO HA H 1 4.288 0.002 . 1 . . . A 46 PRO HA . 17553 1 493 . 1 1 46 46 PRO HB2 H 1 2.309 0.006 . 2 . . . A 46 PRO HB2 . 17553 1 494 . 1 1 46 46 PRO HB3 H 1 1.723 0.007 . 2 . . . A 46 PRO HB3 . 17553 1 495 . 1 1 46 46 PRO HG2 H 1 1.836 0.000 . 2 . . . A 46 PRO HG2 . 17553 1 496 . 1 1 46 46 PRO HG3 H 1 1.700 0.000 . 2 . . . A 46 PRO HG3 . 17553 1 497 . 1 1 46 46 PRO HD2 H 1 2.779 0.000 . 2 . . . A 46 PRO HD2 . 17553 1 498 . 1 1 46 46 PRO HD3 H 1 3.360 0.000 . 2 . . . A 46 PRO HD3 . 17553 1 499 . 1 1 46 46 PRO C C 13 175.828 0.000 . 1 . . . A 46 PRO C . 17553 1 500 . 1 1 46 46 PRO CA C 13 62.401 0.003 . 1 . . . A 46 PRO CA . 17553 1 501 . 1 1 46 46 PRO CB C 13 32.555 0.003 . 1 . . . A 46 PRO CB . 17553 1 502 . 1 1 46 46 PRO CG C 13 27.310 0.012 . 1 . . . A 46 PRO CG . 17553 1 503 . 1 1 46 46 PRO CD C 13 51.013 0.007 . 1 . . . A 46 PRO CD . 17553 1 504 . 1 1 47 47 GLY H H 1 8.204 0.006 . 1 . . . A 47 GLY H . 17553 1 505 . 1 1 47 47 GLY HA2 H 1 4.005 0.006 . 2 . . . A 47 GLY HA2 . 17553 1 506 . 1 1 47 47 GLY HA3 H 1 3.805 0.006 . 2 . . . A 47 GLY HA3 . 17553 1 507 . 1 1 47 47 GLY C C 13 174.734 0.000 . 1 . . . A 47 GLY C . 17553 1 508 . 1 1 47 47 GLY CA C 13 44.890 0.008 . 1 . . . A 47 GLY CA . 17553 1 509 . 1 1 47 47 GLY N N 15 106.711 0.022 . 1 . . . A 47 GLY N . 17553 1 510 . 1 1 48 48 MET H H 1 8.192 0.004 . 1 . . . A 48 MET H . 17553 1 511 . 1 1 48 48 MET HA H 1 4.103 0.008 . 1 . . . A 48 MET HA . 17553 1 512 . 1 1 48 48 MET HB2 H 1 2.047 0.000 . 2 . . . A 48 MET HB2 . 17553 1 513 . 1 1 48 48 MET HB3 H 1 2.581 0.006 . 2 . . . A 48 MET HB3 . 17553 1 514 . 1 1 48 48 MET C C 13 177.162 0.000 . 1 . . . A 48 MET C . 17553 1 515 . 1 1 48 48 MET CA C 13 57.076 0.021 . 1 . . . A 48 MET CA . 17553 1 516 . 1 1 48 48 MET CB C 13 32.225 0.022 . 1 . . . A 48 MET CB . 17553 1 517 . 1 1 48 48 MET N N 15 117.117 0.023 . 1 . . . A 48 MET N . 17553 1 518 . 1 1 49 49 LEU H H 1 8.248 0.006 . 1 . . . A 49 LEU H . 17553 1 519 . 1 1 49 49 LEU HA H 1 4.350 0.006 . 1 . . . A 49 LEU HA . 17553 1 520 . 1 1 49 49 LEU HB2 H 1 1.645 0.004 . 2 . . . A 49 LEU HB2 . 17553 1 521 . 1 1 49 49 LEU HB3 H 1 1.707 0.008 . 2 . . . A 49 LEU HB3 . 17553 1 522 . 1 1 49 49 LEU HG H 1 1.630 0.000 . 1 . . . A 49 LEU HG . 17553 1 523 . 1 1 49 49 LEU HD11 H 1 0.923 0.000 . 1 . . . A 49 LEU HD11 . 17553 1 524 . 1 1 49 49 LEU HD12 H 1 0.923 0.000 . 1 . . . A 49 LEU HD12 . 17553 1 525 . 1 1 49 49 LEU HD13 H 1 0.923 0.000 . 1 . . . A 49 LEU HD13 . 17553 1 526 . 1 1 49 49 LEU HD21 H 1 0.866 0.003 . 1 . . . A 49 LEU HD21 . 17553 1 527 . 1 1 49 49 LEU HD22 H 1 0.866 0.003 . 1 . . . A 49 LEU HD22 . 17553 1 528 . 1 1 49 49 LEU HD23 H 1 0.866 0.003 . 1 . . . A 49 LEU HD23 . 17553 1 529 . 1 1 49 49 LEU C C 13 178.037 0.000 . 1 . . . A 49 LEU C . 17553 1 530 . 1 1 49 49 LEU CA C 13 55.312 0.099 . 1 . . . A 49 LEU CA . 17553 1 531 . 1 1 49 49 LEU CB C 13 41.526 0.029 . 1 . . . A 49 LEU CB . 17553 1 532 . 1 1 49 49 LEU CG C 13 27.206 0.000 . 1 . . . A 49 LEU CG . 17553 1 533 . 1 1 49 49 LEU CD1 C 13 25.164 0.000 . 2 . . . A 49 LEU CD1 . 17553 1 534 . 1 1 49 49 LEU CD2 C 13 22.776 0.047 . 2 . . . A 49 LEU CD2 . 17553 1 535 . 1 1 49 49 LEU N N 15 117.402 0.043 . 1 . . . A 49 LEU N . 17553 1 536 . 1 1 50 50 GLN H H 1 7.757 0.004 . 1 . . . A 50 GLN H . 17553 1 537 . 1 1 50 50 GLN HA H 1 4.562 0.008 . 1 . . . A 50 GLN HA . 17553 1 538 . 1 1 50 50 GLN HB2 H 1 2.172 0.003 . 2 . . . A 50 GLN HB2 . 17553 1 539 . 1 1 50 50 GLN HB3 H 1 2.091 0.002 . 2 . . . A 50 GLN HB3 . 17553 1 540 . 1 1 50 50 GLN HG2 H 1 2.311 0.000 . 2 . . . A 50 GLN HG2 . 17553 1 541 . 1 1 50 50 GLN HG3 H 1 2.290 0.000 . 2 . . . A 50 GLN HG3 . 17553 1 542 . 1 1 50 50 GLN HE21 H 1 6.889 0.001 . 2 . . . A 50 GLN HE21 . 17553 1 543 . 1 1 50 50 GLN HE22 H 1 7.597 0.001 . 2 . . . A 50 GLN HE22 . 17553 1 544 . 1 1 50 50 GLN C C 13 176.366 0.000 . 1 . . . A 50 GLN C . 17553 1 545 . 1 1 50 50 GLN CA C 13 54.594 0.018 . 1 . . . A 50 GLN CA . 17553 1 546 . 1 1 50 50 GLN CB C 13 28.114 0.023 . 1 . . . A 50 GLN CB . 17553 1 547 . 1 1 50 50 GLN CG C 13 34.051 0.017 . 1 . . . A 50 GLN CG . 17553 1 548 . 1 1 50 50 GLN N N 15 121.225 0.010 . 1 . . . A 50 GLN N . 17553 1 549 . 1 1 50 50 GLN NE2 N 15 112.430 0.010 . 1 . . . A 50 GLN NE2 . 17553 1 550 . 1 1 51 51 LEU H H 1 7.757 0.005 . 1 . . . A 51 LEU H . 17553 1 551 . 1 1 51 51 LEU HA H 1 3.706 0.009 . 1 . . . A 51 LEU HA . 17553 1 552 . 1 1 51 51 LEU HB2 H 1 1.714 0.005 . 2 . . . A 51 LEU HB2 . 17553 1 553 . 1 1 51 51 LEU HB3 H 1 1.486 0.010 . 2 . . . A 51 LEU HB3 . 17553 1 554 . 1 1 51 51 LEU HG H 1 1.581 0.000 . 1 . . . A 51 LEU HG . 17553 1 555 . 1 1 51 51 LEU HD11 H 1 0.945 0.000 . 1 . . . A 51 LEU HD11 . 17553 1 556 . 1 1 51 51 LEU HD12 H 1 0.945 0.000 . 1 . . . A 51 LEU HD12 . 17553 1 557 . 1 1 51 51 LEU HD13 H 1 0.945 0.000 . 1 . . . A 51 LEU HD13 . 17553 1 558 . 1 1 51 51 LEU HD21 H 1 0.904 0.000 . 1 . . . A 51 LEU HD21 . 17553 1 559 . 1 1 51 51 LEU HD22 H 1 0.904 0.000 . 1 . . . A 51 LEU HD22 . 17553 1 560 . 1 1 51 51 LEU HD23 H 1 0.904 0.000 . 1 . . . A 51 LEU HD23 . 17553 1 561 . 1 1 51 51 LEU C C 13 178.198 0.000 . 1 . . . A 51 LEU C . 17553 1 562 . 1 1 51 51 LEU CA C 13 58.819 0.039 . 1 . . . A 51 LEU CA . 17553 1 563 . 1 1 51 51 LEU CB C 13 41.787 0.021 . 1 . . . A 51 LEU CB . 17553 1 564 . 1 1 51 51 LEU CG C 13 26.922 0.000 . 1 . . . A 51 LEU CG . 17553 1 565 . 1 1 51 51 LEU CD1 C 13 24.569 0.000 . 2 . . . A 51 LEU CD1 . 17553 1 566 . 1 1 51 51 LEU CD2 C 13 23.701 0.000 . 2 . . . A 51 LEU CD2 . 17553 1 567 . 1 1 51 51 LEU N N 15 121.796 0.031 . 1 . . . A 51 LEU N . 17553 1 568 . 1 1 52 52 GLN H H 1 8.563 0.003 . 1 . . . A 52 GLN H . 17553 1 569 . 1 1 52 52 GLN HA H 1 4.119 0.009 . 1 . . . A 52 GLN HA . 17553 1 570 . 1 1 52 52 GLN HB3 H 1 2.129 0.007 . 2 . . . A 52 GLN HB3 . 17553 1 571 . 1 1 52 52 GLN HG3 H 1 2.497 0.004 . 2 . . . A 52 GLN HG3 . 17553 1 572 . 1 1 52 52 GLN HE21 H 1 7.652 0.001 . 2 . . . A 52 GLN HE21 . 17553 1 573 . 1 1 52 52 GLN HE22 H 1 7.044 0.002 . 2 . . . A 52 GLN HE22 . 17553 1 574 . 1 1 52 52 GLN C C 13 179.173 0.000 . 1 . . . A 52 GLN C . 17553 1 575 . 1 1 52 52 GLN CA C 13 59.034 0.030 . 1 . . . A 52 GLN CA . 17553 1 576 . 1 1 52 52 GLN CB C 13 27.837 0.015 . 1 . . . A 52 GLN CB . 17553 1 577 . 1 1 52 52 GLN CG C 13 34.110 0.007 . 1 . . . A 52 GLN CG . 17553 1 578 . 1 1 52 52 GLN N N 15 115.712 0.036 . 1 . . . A 52 GLN N . 17553 1 579 . 1 1 52 52 GLN NE2 N 15 112.544 0.004 . 1 . . . A 52 GLN NE2 . 17553 1 580 . 1 1 53 53 GLU H H 1 8.049 0.008 . 1 . . . A 53 GLU H . 17553 1 581 . 1 1 53 53 GLU HA H 1 4.157 0.007 . 1 . . . A 53 GLU HA . 17553 1 582 . 1 1 53 53 GLU HB2 H 1 2.075 0.002 . 2 . . . A 53 GLU HB2 . 17553 1 583 . 1 1 53 53 GLU HB3 H 1 2.168 0.008 . 2 . . . A 53 GLU HB3 . 17553 1 584 . 1 1 53 53 GLU HG2 H 1 2.174 0.000 . 2 . . . A 53 GLU HG2 . 17553 1 585 . 1 1 53 53 GLU HG3 H 1 2.405 0.001 . 2 . . . A 53 GLU HG3 . 17553 1 586 . 1 1 53 53 GLU C C 13 179.564 0.000 . 1 . . . A 53 GLU C . 17553 1 587 . 1 1 53 53 GLU CA C 13 58.462 0.039 . 1 . . . A 53 GLU CA . 17553 1 588 . 1 1 53 53 GLU CB C 13 29.109 0.064 . 1 . . . A 53 GLU CB . 17553 1 589 . 1 1 53 53 GLU CG C 13 36.547 0.094 . 1 . . . A 53 GLU CG . 17553 1 590 . 1 1 53 53 GLU N N 15 117.478 0.015 . 1 . . . A 53 GLU N . 17553 1 591 . 1 1 54 54 LYS H H 1 8.457 0.006 . 1 . . . A 54 LYS H . 17553 1 592 . 1 1 54 54 LYS HA H 1 3.915 0.006 . 1 . . . A 54 LYS HA . 17553 1 593 . 1 1 54 54 LYS HB2 H 1 1.907 0.001 . 2 . . . A 54 LYS HB2 . 17553 1 594 . 1 1 54 54 LYS HB3 H 1 1.765 0.006 . 2 . . . A 54 LYS HB3 . 17553 1 595 . 1 1 54 54 LYS HG2 H 1 1.367 0.000 . 2 . . . A 54 LYS HG2 . 17553 1 596 . 1 1 54 54 LYS HG3 H 1 1.279 0.002 . 2 . . . A 54 LYS HG3 . 17553 1 597 . 1 1 54 54 LYS HD2 H 1 1.636 0.000 . 2 . . . A 54 LYS HD2 . 17553 1 598 . 1 1 54 54 LYS HD3 H 1 1.489 0.001 . 2 . . . A 54 LYS HD3 . 17553 1 599 . 1 1 54 54 LYS HE3 H 1 2.884 0.000 . 2 . . . A 54 LYS HE3 . 17553 1 600 . 1 1 54 54 LYS C C 13 177.957 0.000 . 1 . . . A 54 LYS C . 17553 1 601 . 1 1 54 54 LYS CA C 13 60.793 0.040 . 1 . . . A 54 LYS CA . 17553 1 602 . 1 1 54 54 LYS CB C 13 32.091 0.021 . 1 . . . A 54 LYS CB . 17553 1 603 . 1 1 54 54 LYS CG C 13 25.145 0.010 . 1 . . . A 54 LYS CG . 17553 1 604 . 1 1 54 54 LYS CD C 13 29.731 0.007 . 1 . . . A 54 LYS CD . 17553 1 605 . 1 1 54 54 LYS CE C 13 42.039 0.000 . 1 . . . A 54 LYS CE . 17553 1 606 . 1 1 54 54 LYS N N 15 123.398 0.016 . 1 . . . A 54 LYS N . 17553 1 607 . 1 1 55 55 TYR H H 1 8.145 0.004 . 1 . . . A 55 TYR H . 17553 1 608 . 1 1 55 55 TYR HA H 1 4.602 0.003 . 1 . . . A 55 TYR HA . 17553 1 609 . 1 1 55 55 TYR HB2 H 1 3.236 0.012 . 2 . . . A 55 TYR HB2 . 17553 1 610 . 1 1 55 55 TYR HB3 H 1 3.123 0.006 . 2 . . . A 55 TYR HB3 . 17553 1 611 . 1 1 55 55 TYR HD1 H 1 7.209 0.000 . 3 . . . A 55 TYR HD1 . 17553 1 612 . 1 1 55 55 TYR HD2 H 1 7.209 0.000 . 3 . . . A 55 TYR HD2 . 17553 1 613 . 1 1 55 55 TYR HE1 H 1 6.860 0.000 . 3 . . . A 55 TYR HE1 . 17553 1 614 . 1 1 55 55 TYR HE2 H 1 6.860 0.000 . 3 . . . A 55 TYR HE2 . 17553 1 615 . 1 1 55 55 TYR C C 13 180.036 0.000 . 1 . . . A 55 TYR C . 17553 1 616 . 1 1 55 55 TYR CA C 13 59.946 0.002 . 1 . . . A 55 TYR CA . 17553 1 617 . 1 1 55 55 TYR CB C 13 37.288 0.083 . 1 . . . A 55 TYR CB . 17553 1 618 . 1 1 55 55 TYR CD1 C 13 132.668 0.000 . 3 . . . A 55 TYR CD1 . 17553 1 619 . 1 1 55 55 TYR CD2 C 13 132.668 0.000 . 3 . . . A 55 TYR CD2 . 17553 1 620 . 1 1 55 55 TYR CE1 C 13 118.235 0.000 . 3 . . . A 55 TYR CE1 . 17553 1 621 . 1 1 55 55 TYR CE2 C 13 118.235 0.000 . 3 . . . A 55 TYR CE2 . 17553 1 622 . 1 1 55 55 TYR N N 15 117.975 0.007 . 1 . . . A 55 TYR N . 17553 1 623 . 1 1 56 56 LYS H H 1 7.633 0.005 . 1 . . . A 56 LYS H . 17553 1 624 . 1 1 56 56 LYS HA H 1 3.900 0.004 . 1 . . . A 56 LYS HA . 17553 1 625 . 1 1 56 56 LYS HB3 H 1 1.730 0.007 . 2 . . . A 56 LYS HB3 . 17553 1 626 . 1 1 56 56 LYS HD2 H 1 1.271 0.000 . 2 . . . A 56 LYS HD2 . 17553 1 627 . 1 1 56 56 LYS HD3 H 1 1.061 0.000 . 2 . . . A 56 LYS HD3 . 17553 1 628 . 1 1 56 56 LYS C C 13 177.184 0.000 . 1 . . . A 56 LYS C . 17553 1 629 . 1 1 56 56 LYS CA C 13 60.475 0.004 . 1 . . . A 56 LYS CA . 17553 1 630 . 1 1 56 56 LYS CB C 13 32.699 0.015 . 1 . . . A 56 LYS CB . 17553 1 631 . 1 1 56 56 LYS CD C 13 29.595 0.020 . 1 . . . A 56 LYS CD . 17553 1 632 . 1 1 56 56 LYS N N 15 120.315 0.027 . 1 . . . A 56 LYS N . 17553 1 633 . 1 1 57 57 TRP H H 1 8.321 0.006 . 1 . . . A 57 TRP H . 17553 1 634 . 1 1 57 57 TRP HA H 1 4.408 0.007 . 1 . . . A 57 TRP HA . 17553 1 635 . 1 1 57 57 TRP HB2 H 1 3.512 0.005 . 2 . . . A 57 TRP HB2 . 17553 1 636 . 1 1 57 57 TRP HB3 H 1 3.409 0.003 . 2 . . . A 57 TRP HB3 . 17553 1 637 . 1 1 57 57 TRP HD1 H 1 7.053 0.000 . 1 . . . A 57 TRP HD1 . 17553 1 638 . 1 1 57 57 TRP HE1 H 1 9.657 0.000 . 1 . . . A 57 TRP HE1 . 17553 1 639 . 1 1 57 57 TRP HE3 H 1 7.384 0.000 . 1 . . . A 57 TRP HE3 . 17553 1 640 . 1 1 57 57 TRP HZ2 H 1 7.322 0.000 . 1 . . . A 57 TRP HZ2 . 17553 1 641 . 1 1 57 57 TRP C C 13 178.602 0.000 . 1 . . . A 57 TRP C . 17553 1 642 . 1 1 57 57 TRP CA C 13 63.078 0.084 . 1 . . . A 57 TRP CA . 17553 1 643 . 1 1 57 57 TRP CB C 13 30.123 0.028 . 1 . . . A 57 TRP CB . 17553 1 644 . 1 1 57 57 TRP CD1 C 13 126.596 0.000 . 1 . . . A 57 TRP CD1 . 17553 1 645 . 1 1 57 57 TRP CE3 C 13 120.106 0.000 . 1 . . . A 57 TRP CE3 . 17553 1 646 . 1 1 57 57 TRP CZ2 C 13 114.573 0.000 . 1 . . . A 57 TRP CZ2 . 17553 1 647 . 1 1 57 57 TRP N N 15 120.183 0.021 . 1 . . . A 57 TRP N . 17553 1 648 . 1 1 57 57 TRP NE1 N 15 131.536 0.000 . 1 . . . A 57 TRP NE1 . 17553 1 649 . 1 1 58 58 GLU H H 1 9.247 0.004 . 1 . . . A 58 GLU H . 17553 1 650 . 1 1 58 58 GLU HA H 1 3.906 0.003 . 1 . . . A 58 GLU HA . 17553 1 651 . 1 1 58 58 GLU HB2 H 1 2.326 0.012 . 2 . . . A 58 GLU HB2 . 17553 1 652 . 1 1 58 58 GLU HB3 H 1 2.239 0.007 . 2 . . . A 58 GLU HB3 . 17553 1 653 . 1 1 58 58 GLU HG2 H 1 2.940 0.000 . 2 . . . A 58 GLU HG2 . 17553 1 654 . 1 1 58 58 GLU HG3 H 1 2.711 0.000 . 2 . . . A 58 GLU HG3 . 17553 1 655 . 1 1 58 58 GLU C C 13 179.910 0.000 . 1 . . . A 58 GLU C . 17553 1 656 . 1 1 58 58 GLU CA C 13 59.846 0.097 . 1 . . . A 58 GLU CA . 17553 1 657 . 1 1 58 58 GLU CB C 13 29.951 0.017 . 1 . . . A 58 GLU CB . 17553 1 658 . 1 1 58 58 GLU CG C 13 37.233 0.014 . 1 . . . A 58 GLU CG . 17553 1 659 . 1 1 58 58 GLU N N 15 117.367 0.018 . 1 . . . A 58 GLU N . 17553 1 660 . 1 1 59 59 ALA H H 1 7.928 0.003 . 1 . . . A 59 ALA H . 17553 1 661 . 1 1 59 59 ALA HA H 1 4.202 0.007 . 1 . . . A 59 ALA HA . 17553 1 662 . 1 1 59 59 ALA HB1 H 1 1.674 0.005 . 1 . . . A 59 ALA HB1 . 17553 1 663 . 1 1 59 59 ALA HB2 H 1 1.674 0.005 . 1 . . . A 59 ALA HB2 . 17553 1 664 . 1 1 59 59 ALA HB3 H 1 1.674 0.005 . 1 . . . A 59 ALA HB3 . 17553 1 665 . 1 1 59 59 ALA C C 13 179.260 0.000 . 1 . . . A 59 ALA C . 17553 1 666 . 1 1 59 59 ALA CA C 13 54.795 0.005 . 1 . . . A 59 ALA CA . 17553 1 667 . 1 1 59 59 ALA CB C 13 18.792 0.008 . 1 . . . A 59 ALA CB . 17553 1 668 . 1 1 59 59 ALA N N 15 121.373 0.019 . 1 . . . A 59 ALA N . 17553 1 669 . 1 1 60 60 TRP H H 1 8.073 0.004 . 1 . . . A 60 TRP H . 17553 1 670 . 1 1 60 60 TRP HA H 1 4.822 0.000 . 1 . . . A 60 TRP HA . 17553 1 671 . 1 1 60 60 TRP HB2 H 1 3.586 0.001 . 2 . . . A 60 TRP HB2 . 17553 1 672 . 1 1 60 60 TRP HB3 H 1 3.223 0.002 . 2 . . . A 60 TRP HB3 . 17553 1 673 . 1 1 60 60 TRP HD1 H 1 7.590 0.000 . 1 . . . A 60 TRP HD1 . 17553 1 674 . 1 1 60 60 TRP HE1 H 1 10.163 0.000 . 1 . . . A 60 TRP HE1 . 17553 1 675 . 1 1 60 60 TRP HZ2 H 1 7.246 0.000 . 1 . . . A 60 TRP HZ2 . 17553 1 676 . 1 1 60 60 TRP C C 13 179.720 0.000 . 1 . . . A 60 TRP C . 17553 1 677 . 1 1 60 60 TRP CA C 13 57.750 0.000 . 1 . . . A 60 TRP CA . 17553 1 678 . 1 1 60 60 TRP CB C 13 30.183 0.024 . 1 . . . A 60 TRP CB . 17553 1 679 . 1 1 60 60 TRP CD1 C 13 127.686 0.000 . 1 . . . A 60 TRP CD1 . 17553 1 680 . 1 1 60 60 TRP CZ2 C 13 116.020 0.000 . 1 . . . A 60 TRP CZ2 . 17553 1 681 . 1 1 60 60 TRP N N 15 118.108 0.035 . 1 . . . A 60 TRP N . 17553 1 682 . 1 1 60 60 TRP NE1 N 15 131.241 0.000 . 1 . . . A 60 TRP NE1 . 17553 1 683 . 1 1 61 61 ASN H H 1 9.543 0.005 . 1 . . . A 61 ASN H . 17553 1 684 . 1 1 61 61 ASN HA H 1 3.513 0.007 . 1 . . . A 61 ASN HA . 17553 1 685 . 1 1 61 61 ASN HB2 H 1 1.921 0.002 . 2 . . . A 61 ASN HB2 . 17553 1 686 . 1 1 61 61 ASN HB3 H 1 1.085 0.008 . 2 . . . A 61 ASN HB3 . 17553 1 687 . 1 1 61 61 ASN HD21 H 1 6.789 0.001 . 2 . . . A 61 ASN HD21 . 17553 1 688 . 1 1 61 61 ASN HD22 H 1 7.618 0.005 . 2 . . . A 61 ASN HD22 . 17553 1 689 . 1 1 61 61 ASN C C 13 176.507 0.000 . 1 . . . A 61 ASN C . 17553 1 690 . 1 1 61 61 ASN CA C 13 57.536 0.049 . 1 . . . A 61 ASN CA . 17553 1 691 . 1 1 61 61 ASN CB C 13 38.970 0.006 . 1 . . . A 61 ASN CB . 17553 1 692 . 1 1 61 61 ASN N N 15 120.881 0.017 . 1 . . . A 61 ASN N . 17553 1 693 . 1 1 61 61 ASN ND2 N 15 116.803 0.018 . 1 . . . A 61 ASN ND2 . 17553 1 694 . 1 1 62 62 ALA H H 1 7.349 0.004 . 1 . . . A 62 ALA H . 17553 1 695 . 1 1 62 62 ALA HA H 1 4.188 0.005 . 1 . . . A 62 ALA HA . 17553 1 696 . 1 1 62 62 ALA HB1 H 1 1.549 0.008 . 1 . . . A 62 ALA HB1 . 17553 1 697 . 1 1 62 62 ALA HB2 H 1 1.549 0.008 . 1 . . . A 62 ALA HB2 . 17553 1 698 . 1 1 62 62 ALA HB3 H 1 1.549 0.008 . 1 . . . A 62 ALA HB3 . 17553 1 699 . 1 1 62 62 ALA C C 13 178.226 0.000 . 1 . . . A 62 ALA C . 17553 1 700 . 1 1 62 62 ALA CA C 13 53.861 0.017 . 1 . . . A 62 ALA CA . 17553 1 701 . 1 1 62 62 ALA CB C 13 18.682 0.013 . 1 . . . A 62 ALA CB . 17553 1 702 . 1 1 62 62 ALA N N 15 117.313 0.028 . 1 . . . A 62 ALA N . 17553 1 703 . 1 1 63 63 LEU H H 1 7.724 0.002 . 1 . . . A 63 LEU H . 17553 1 704 . 1 1 63 63 LEU HA H 1 4.378 0.006 . 1 . . . A 63 LEU HA . 17553 1 705 . 1 1 63 63 LEU HB2 H 1 2.130 0.007 . 2 . . . A 63 LEU HB2 . 17553 1 706 . 1 1 63 63 LEU HB3 H 1 1.835 0.008 . 2 . . . A 63 LEU HB3 . 17553 1 707 . 1 1 63 63 LEU HD21 H 1 0.983 0.000 . 1 . . . A 63 LEU HD21 . 17553 1 708 . 1 1 63 63 LEU HD22 H 1 0.983 0.000 . 1 . . . A 63 LEU HD22 . 17553 1 709 . 1 1 63 63 LEU HD23 H 1 0.983 0.000 . 1 . . . A 63 LEU HD23 . 17553 1 710 . 1 1 63 63 LEU C C 13 175.265 0.000 . 1 . . . A 63 LEU C . 17553 1 711 . 1 1 63 63 LEU CA C 13 54.054 0.001 . 1 . . . A 63 LEU CA . 17553 1 712 . 1 1 63 63 LEU CB C 13 41.612 0.028 . 1 . . . A 63 LEU CB . 17553 1 713 . 1 1 63 63 LEU CD2 C 13 27.322 0.000 . 2 . . . A 63 LEU CD2 . 17553 1 714 . 1 1 63 63 LEU N N 15 116.196 0.011 . 1 . . . A 63 LEU N . 17553 1 715 . 1 1 64 64 ARG H H 1 6.800 0.003 . 1 . . . A 64 ARG H . 17553 1 716 . 1 1 64 64 ARG HA H 1 4.003 0.008 . 1 . . . A 64 ARG HA . 17553 1 717 . 1 1 64 64 ARG HB2 H 1 1.730 0.011 . 2 . . . A 64 ARG HB2 . 17553 1 718 . 1 1 64 64 ARG HB3 H 1 1.602 0.008 . 2 . . . A 64 ARG HB3 . 17553 1 719 . 1 1 64 64 ARG HG2 H 1 1.591 0.000 . 2 . . . A 64 ARG HG2 . 17553 1 720 . 1 1 64 64 ARG HG3 H 1 1.407 0.001 . 2 . . . A 64 ARG HG3 . 17553 1 721 . 1 1 64 64 ARG HD2 H 1 3.261 0.001 . 2 . . . A 64 ARG HD2 . 17553 1 722 . 1 1 64 64 ARG HD3 H 1 3.086 0.005 . 2 . . . A 64 ARG HD3 . 17553 1 723 . 1 1 64 64 ARG HE H 1 7.030 0.002 . 1 . . . A 64 ARG HE . 17553 1 724 . 1 1 64 64 ARG C C 13 177.909 0.000 . 1 . . . A 64 ARG C . 17553 1 725 . 1 1 64 64 ARG CA C 13 59.036 0.029 . 1 . . . A 64 ARG CA . 17553 1 726 . 1 1 64 64 ARG CB C 13 30.024 0.027 . 1 . . . A 64 ARG CB . 17553 1 727 . 1 1 64 64 ARG CG C 13 27.493 0.038 . 1 . . . A 64 ARG CG . 17553 1 728 . 1 1 64 64 ARG CD C 13 43.201 0.019 . 1 . . . A 64 ARG CD . 17553 1 729 . 1 1 64 64 ARG N N 15 119.415 0.017 . 1 . . . A 64 ARG N . 17553 1 730 . 1 1 64 64 ARG NE N 15 113.551 0.054 . 1 . . . A 64 ARG NE . 17553 1 731 . 1 1 65 65 GLY H H 1 9.905 0.005 . 1 . . . A 65 GLY H . 17553 1 732 . 1 1 65 65 GLY HA2 H 1 3.736 0.005 . 2 . . . A 65 GLY HA2 . 17553 1 733 . 1 1 65 65 GLY HA3 H 1 4.427 0.006 . 2 . . . A 65 GLY HA3 . 17553 1 734 . 1 1 65 65 GLY C C 13 175.028 0.000 . 1 . . . A 65 GLY C . 17553 1 735 . 1 1 65 65 GLY CA C 13 44.440 0.066 . 1 . . . A 65 GLY CA . 17553 1 736 . 1 1 65 65 GLY N N 15 116.241 0.027 . 1 . . . A 65 GLY N . 17553 1 737 . 1 1 66 66 MET H H 1 8.535 0.001 . 1 . . . A 66 MET H . 17553 1 738 . 1 1 66 66 MET HA H 1 4.315 0.006 . 1 . . . A 66 MET HA . 17553 1 739 . 1 1 66 66 MET HB2 H 1 2.438 0.005 . 2 . . . A 66 MET HB2 . 17553 1 740 . 1 1 66 66 MET HB3 H 1 1.990 0.014 . 2 . . . A 66 MET HB3 . 17553 1 741 . 1 1 66 66 MET HG2 H 1 2.553 0.000 . 2 . . . A 66 MET HG2 . 17553 1 742 . 1 1 66 66 MET HG3 H 1 3.084 0.000 . 2 . . . A 66 MET HG3 . 17553 1 743 . 1 1 66 66 MET HE1 H 1 2.187 0.000 . 1 . . . A 66 MET HE1 . 17553 1 744 . 1 1 66 66 MET HE2 H 1 2.187 0.000 . 1 . . . A 66 MET HE2 . 17553 1 745 . 1 1 66 66 MET HE3 H 1 2.187 0.000 . 1 . . . A 66 MET HE3 . 17553 1 746 . 1 1 66 66 MET C C 13 176.983 0.000 . 1 . . . A 66 MET C . 17553 1 747 . 1 1 66 66 MET CA C 13 56.780 0.001 . 1 . . . A 66 MET CA . 17553 1 748 . 1 1 66 66 MET CB C 13 34.243 0.030 . 1 . . . A 66 MET CB . 17553 1 749 . 1 1 66 66 MET CG C 13 32.670 0.019 . 1 . . . A 66 MET CG . 17553 1 750 . 1 1 66 66 MET CE C 13 18.237 0.000 . 1 . . . A 66 MET CE . 17553 1 751 . 1 1 66 66 MET N N 15 123.914 0.012 . 1 . . . A 66 MET N . 17553 1 752 . 1 1 67 67 SER H H 1 9.238 0.004 . 1 . . . A 67 SER H . 17553 1 753 . 1 1 67 67 SER HA H 1 4.508 0.007 . 1 . . . A 67 SER HA . 17553 1 754 . 1 1 67 67 SER HB2 H 1 4.451 0.001 . 2 . . . A 67 SER HB2 . 17553 1 755 . 1 1 67 67 SER HB3 H 1 4.162 0.004 . 2 . . . A 67 SER HB3 . 17553 1 756 . 1 1 67 67 SER C C 13 174.719 0.000 . 1 . . . A 67 SER C . 17553 1 757 . 1 1 67 67 SER CA C 13 58.014 0.066 . 1 . . . A 67 SER CA . 17553 1 758 . 1 1 67 67 SER CB C 13 64.904 0.045 . 1 . . . A 67 SER CB . 17553 1 759 . 1 1 67 67 SER N N 15 126.221 0.029 . 1 . . . A 67 SER N . 17553 1 760 . 1 1 68 68 THR H H 1 8.806 0.002 . 1 . . . A 68 THR H . 17553 1 761 . 1 1 68 68 THR HA H 1 3.854 0.010 . 1 . . . A 68 THR HA . 17553 1 762 . 1 1 68 68 THR HB H 1 4.161 0.007 . 1 . . . A 68 THR HB . 17553 1 763 . 1 1 68 68 THR HG21 H 1 1.321 0.000 . 1 . . . A 68 THR HG21 . 17553 1 764 . 1 1 68 68 THR HG22 H 1 1.321 0.000 . 1 . . . A 68 THR HG22 . 17553 1 765 . 1 1 68 68 THR HG23 H 1 1.321 0.000 . 1 . . . A 68 THR HG23 . 17553 1 766 . 1 1 68 68 THR C C 13 176.872 0.000 . 1 . . . A 68 THR C . 17553 1 767 . 1 1 68 68 THR CA C 13 66.458 0.012 . 1 . . . A 68 THR CA . 17553 1 768 . 1 1 68 68 THR CB C 13 68.900 0.022 . 1 . . . A 68 THR CB . 17553 1 769 . 1 1 68 68 THR CG2 C 13 21.518 0.000 . 1 . . . A 68 THR CG2 . 17553 1 770 . 1 1 68 68 THR N N 15 116.709 0.019 . 1 . . . A 68 THR N . 17553 1 771 . 1 1 69 69 GLU H H 1 8.521 0.003 . 1 . . . A 69 GLU H . 17553 1 772 . 1 1 69 69 GLU HA H 1 3.789 0.008 . 1 . . . A 69 GLU HA . 17553 1 773 . 1 1 69 69 GLU HB2 H 1 2.006 0.001 . 2 . . . A 69 GLU HB2 . 17553 1 774 . 1 1 69 69 GLU HB3 H 1 1.950 0.000 . 2 . . . A 69 GLU HB3 . 17553 1 775 . 1 1 69 69 GLU HG2 H 1 2.249 0.000 . 2 . . . A 69 GLU HG2 . 17553 1 776 . 1 1 69 69 GLU HG3 H 1 2.329 0.000 . 2 . . . A 69 GLU HG3 . 17553 1 777 . 1 1 69 69 GLU C C 13 178.893 0.000 . 1 . . . A 69 GLU C . 17553 1 778 . 1 1 69 69 GLU CA C 13 60.210 0.029 . 1 . . . A 69 GLU CA . 17553 1 779 . 1 1 69 69 GLU CB C 13 29.169 0.006 . 1 . . . A 69 GLU CB . 17553 1 780 . 1 1 69 69 GLU CG C 13 36.628 0.003 . 1 . . . A 69 GLU CG . 17553 1 781 . 1 1 69 69 GLU N N 15 119.523 0.017 . 1 . . . A 69 GLU N . 17553 1 782 . 1 1 70 70 SER H H 1 8.079 0.004 . 1 . . . A 70 SER H . 17553 1 783 . 1 1 70 70 SER HA H 1 4.018 0.000 . 1 . . . A 70 SER HA . 17553 1 784 . 1 1 70 70 SER HB3 H 1 3.837 0.000 . 2 . . . A 70 SER HB3 . 17553 1 785 . 1 1 70 70 SER C C 13 177.107 0.000 . 1 . . . A 70 SER C . 17553 1 786 . 1 1 70 70 SER CB C 13 62.632 0.000 . 1 . . . A 70 SER CB . 17553 1 787 . 1 1 70 70 SER N N 15 116.532 0.017 . 1 . . . A 70 SER N . 17553 1 788 . 1 1 71 71 ALA H H 1 8.127 0.004 . 1 . . . A 71 ALA H . 17553 1 789 . 1 1 71 71 ALA HA H 1 4.085 0.004 . 1 . . . A 71 ALA HA . 17553 1 790 . 1 1 71 71 ALA HB1 H 1 1.557 0.011 . 1 . . . A 71 ALA HB1 . 17553 1 791 . 1 1 71 71 ALA HB2 H 1 1.557 0.011 . 1 . . . A 71 ALA HB2 . 17553 1 792 . 1 1 71 71 ALA HB3 H 1 1.557 0.011 . 1 . . . A 71 ALA HB3 . 17553 1 793 . 1 1 71 71 ALA C C 13 178.645 0.000 . 1 . . . A 71 ALA C . 17553 1 794 . 1 1 71 71 ALA CA C 13 55.673 0.031 . 1 . . . A 71 ALA CA . 17553 1 795 . 1 1 71 71 ALA CB C 13 17.989 0.023 . 1 . . . A 71 ALA CB . 17553 1 796 . 1 1 71 71 ALA N N 15 127.022 0.008 . 1 . . . A 71 ALA N . 17553 1 797 . 1 1 72 72 LYS H H 1 7.997 0.003 . 1 . . . A 72 LYS H . 17553 1 798 . 1 1 72 72 LYS HA H 1 3.627 0.007 . 1 . . . A 72 LYS HA . 17553 1 799 . 1 1 72 72 LYS HB2 H 1 1.860 0.007 . 2 . . . A 72 LYS HB2 . 17553 1 800 . 1 1 72 72 LYS HB3 H 1 1.504 0.005 . 2 . . . A 72 LYS HB3 . 17553 1 801 . 1 1 72 72 LYS HG2 H 1 1.286 0.002 . 2 . . . A 72 LYS HG2 . 17553 1 802 . 1 1 72 72 LYS HG3 H 1 -0.820 0.001 . 2 . . . A 72 LYS HG3 . 17553 1 803 . 1 1 72 72 LYS HD2 H 1 1.369 0.000 . 2 . . . A 72 LYS HD2 . 17553 1 804 . 1 1 72 72 LYS HD3 H 1 1.281 0.000 . 2 . . . A 72 LYS HD3 . 17553 1 805 . 1 1 72 72 LYS HE3 H 1 2.438 0.000 . 2 . . . A 72 LYS HE3 . 17553 1 806 . 1 1 72 72 LYS C C 13 178.857 0.000 . 1 . . . A 72 LYS C . 17553 1 807 . 1 1 72 72 LYS CA C 13 60.064 0.027 . 1 . . . A 72 LYS CA . 17553 1 808 . 1 1 72 72 LYS CB C 13 33.519 0.032 . 1 . . . A 72 LYS CB . 17553 1 809 . 1 1 72 72 LYS CG C 13 26.302 0.025 . 1 . . . A 72 LYS CG . 17553 1 810 . 1 1 72 72 LYS CD C 13 30.225 0.009 . 1 . . . A 72 LYS CD . 17553 1 811 . 1 1 72 72 LYS CE C 13 41.989 0.000 . 1 . . . A 72 LYS CE . 17553 1 812 . 1 1 72 72 LYS N N 15 117.767 0.012 . 1 . . . A 72 LYS N . 17553 1 813 . 1 1 73 73 GLU H H 1 8.005 0.002 . 1 . . . A 73 GLU H . 17553 1 814 . 1 1 73 73 GLU HA H 1 3.759 0.010 . 1 . . . A 73 GLU HA . 17553 1 815 . 1 1 73 73 GLU HB2 H 1 2.167 0.007 . 2 . . . A 73 GLU HB2 . 17553 1 816 . 1 1 73 73 GLU HB3 H 1 2.075 0.001 . 2 . . . A 73 GLU HB3 . 17553 1 817 . 1 1 73 73 GLU C C 13 178.021 0.000 . 1 . . . A 73 GLU C . 17553 1 818 . 1 1 73 73 GLU CA C 13 59.593 0.042 . 1 . . . A 73 GLU CA . 17553 1 819 . 1 1 73 73 GLU CB C 13 29.843 0.024 . 1 . . . A 73 GLU CB . 17553 1 820 . 1 1 73 73 GLU N N 15 117.232 0.031 . 1 . . . A 73 GLU N . 17553 1 821 . 1 1 74 74 ALA H H 1 7.830 0.004 . 1 . . . A 74 ALA H . 17553 1 822 . 1 1 74 74 ALA HA H 1 3.770 0.007 . 1 . . . A 74 ALA HA . 17553 1 823 . 1 1 74 74 ALA HB1 H 1 0.460 0.006 . 1 . . . A 74 ALA HB1 . 17553 1 824 . 1 1 74 74 ALA HB2 H 1 0.460 0.006 . 1 . . . A 74 ALA HB2 . 17553 1 825 . 1 1 74 74 ALA HB3 H 1 0.460 0.006 . 1 . . . A 74 ALA HB3 . 17553 1 826 . 1 1 74 74 ALA C C 13 179.737 0.000 . 1 . . . A 74 ALA C . 17553 1 827 . 1 1 74 74 ALA CA C 13 54.978 0.030 . 1 . . . A 74 ALA CA . 17553 1 828 . 1 1 74 74 ALA CB C 13 15.455 0.032 . 1 . . . A 74 ALA CB . 17553 1 829 . 1 1 74 74 ALA N N 15 121.261 0.015 . 1 . . . A 74 ALA N . 17553 1 830 . 1 1 75 75 TYR H H 1 7.922 0.003 . 1 . . . A 75 TYR H . 17553 1 831 . 1 1 75 75 TYR HA H 1 3.922 0.000 . 1 . . . A 75 TYR HA . 17553 1 832 . 1 1 75 75 TYR HB2 H 1 3.839 0.000 . 2 . . . A 75 TYR HB2 . 17553 1 833 . 1 1 75 75 TYR HB3 H 1 3.206 0.000 . 2 . . . A 75 TYR HB3 . 17553 1 834 . 1 1 75 75 TYR HD1 H 1 7.139 0.000 . 3 . . . A 75 TYR HD1 . 17553 1 835 . 1 1 75 75 TYR HD2 H 1 7.139 0.000 . 3 . . . A 75 TYR HD2 . 17553 1 836 . 1 1 75 75 TYR HE1 H 1 6.638 0.000 . 3 . . . A 75 TYR HE1 . 17553 1 837 . 1 1 75 75 TYR HE2 H 1 6.638 0.000 . 3 . . . A 75 TYR HE2 . 17553 1 838 . 1 1 75 75 TYR C C 13 176.886 0.000 . 1 . . . A 75 TYR C . 17553 1 839 . 1 1 75 75 TYR CA C 13 62.540 0.030 . 1 . . . A 75 TYR CA . 17553 1 840 . 1 1 75 75 TYR CB C 13 39.822 0.014 . 1 . . . A 75 TYR CB . 17553 1 841 . 1 1 75 75 TYR CD1 C 13 132.725 0.000 . 3 . . . A 75 TYR CD1 . 17553 1 842 . 1 1 75 75 TYR CD2 C 13 132.725 0.000 . 3 . . . A 75 TYR CD2 . 17553 1 843 . 1 1 75 75 TYR CE1 C 13 118.671 0.000 . 3 . . . A 75 TYR CE1 . 17553 1 844 . 1 1 75 75 TYR CE2 C 13 118.671 0.000 . 3 . . . A 75 TYR CE2 . 17553 1 845 . 1 1 75 75 TYR N N 15 120.474 0.037 . 1 . . . A 75 TYR N . 17553 1 846 . 1 1 76 76 VAL H H 1 8.102 0.005 . 1 . . . A 76 VAL H . 17553 1 847 . 1 1 76 76 VAL HA H 1 3.447 0.006 . 1 . . . A 76 VAL HA . 17553 1 848 . 1 1 76 76 VAL HB H 1 2.194 0.006 . 1 . . . A 76 VAL HB . 17553 1 849 . 1 1 76 76 VAL HG21 H 1 1.349 0.000 . 1 . . . A 76 VAL HG21 . 17553 1 850 . 1 1 76 76 VAL HG22 H 1 1.349 0.000 . 1 . . . A 76 VAL HG22 . 17553 1 851 . 1 1 76 76 VAL HG23 H 1 1.349 0.000 . 1 . . . A 76 VAL HG23 . 17553 1 852 . 1 1 76 76 VAL C C 13 177.026 0.000 . 1 . . . A 76 VAL C . 17553 1 853 . 1 1 76 76 VAL CA C 13 67.360 0.012 . 1 . . . A 76 VAL CA . 17553 1 854 . 1 1 76 76 VAL CB C 13 32.329 0.036 . 1 . . . A 76 VAL CB . 17553 1 855 . 1 1 76 76 VAL CG2 C 13 22.807 0.000 . 2 . . . A 76 VAL CG2 . 17553 1 856 . 1 1 76 76 VAL N N 15 117.622 0.023 . 1 . . . A 76 VAL N . 17553 1 857 . 1 1 77 77 LYS H H 1 8.763 0.003 . 1 . . . A 77 LYS H . 17553 1 858 . 1 1 77 77 LYS HA H 1 4.156 0.007 . 1 . . . A 77 LYS HA . 17553 1 859 . 1 1 77 77 LYS HB3 H 1 1.832 0.005 . 2 . . . A 77 LYS HB3 . 17553 1 860 . 1 1 77 77 LYS HG2 H 1 1.627 0.001 . 2 . . . A 77 LYS HG2 . 17553 1 861 . 1 1 77 77 LYS HG3 H 1 1.474 0.000 . 2 . . . A 77 LYS HG3 . 17553 1 862 . 1 1 77 77 LYS HD3 H 1 1.689 0.000 . 2 . . . A 77 LYS HD3 . 17553 1 863 . 1 1 77 77 LYS C C 13 179.777 0.000 . 1 . . . A 77 LYS C . 17553 1 864 . 1 1 77 77 LYS CA C 13 59.450 0.021 . 1 . . . A 77 LYS CA . 17553 1 865 . 1 1 77 77 LYS CB C 13 32.197 0.002 . 1 . . . A 77 LYS CB . 17553 1 866 . 1 1 77 77 LYS CG C 13 25.591 0.038 . 1 . . . A 77 LYS CG . 17553 1 867 . 1 1 77 77 LYS CD C 13 29.342 0.000 . 1 . . . A 77 LYS CD . 17553 1 868 . 1 1 77 77 LYS N N 15 118.055 0.014 . 1 . . . A 77 LYS N . 17553 1 869 . 1 1 78 78 LEU H H 1 7.686 0.003 . 1 . . . A 78 LEU H . 17553 1 870 . 1 1 78 78 LEU HA H 1 4.193 0.001 . 1 . . . A 78 LEU HA . 17553 1 871 . 1 1 78 78 LEU HB2 H 1 1.256 0.006 . 2 . . . A 78 LEU HB2 . 17553 1 872 . 1 1 78 78 LEU HB3 H 1 1.791 0.005 . 2 . . . A 78 LEU HB3 . 17553 1 873 . 1 1 78 78 LEU HD11 H 1 0.771 0.003 . 1 . . . A 78 LEU HD11 . 17553 1 874 . 1 1 78 78 LEU HD12 H 1 0.771 0.003 . 1 . . . A 78 LEU HD12 . 17553 1 875 . 1 1 78 78 LEU HD13 H 1 0.771 0.003 . 1 . . . A 78 LEU HD13 . 17553 1 876 . 1 1 78 78 LEU HD21 H 1 -0.030 0.005 . 1 . . . A 78 LEU HD21 . 17553 1 877 . 1 1 78 78 LEU HD22 H 1 -0.030 0.005 . 1 . . . A 78 LEU HD22 . 17553 1 878 . 1 1 78 78 LEU HD23 H 1 -0.030 0.005 . 1 . . . A 78 LEU HD23 . 17553 1 879 . 1 1 78 78 LEU C C 13 179.123 0.000 . 1 . . . A 78 LEU C . 17553 1 880 . 1 1 78 78 LEU CA C 13 57.685 0.037 . 1 . . . A 78 LEU CA . 17553 1 881 . 1 1 78 78 LEU CB C 13 40.507 0.018 . 1 . . . A 78 LEU CB . 17553 1 882 . 1 1 78 78 LEU CD1 C 13 22.444 0.021 . 2 . . . A 78 LEU CD1 . 17553 1 883 . 1 1 78 78 LEU CD2 C 13 25.822 0.052 . 2 . . . A 78 LEU CD2 . 17553 1 884 . 1 1 78 78 LEU N N 15 120.939 0.043 . 1 . . . A 78 LEU N . 17553 1 885 . 1 1 79 79 LEU H H 1 7.884 0.001 . 1 . . . A 79 LEU H . 17553 1 886 . 1 1 79 79 LEU HA H 1 4.124 0.006 . 1 . . . A 79 LEU HA . 17553 1 887 . 1 1 79 79 LEU HB2 H 1 1.794 0.003 . 2 . . . A 79 LEU HB2 . 17553 1 888 . 1 1 79 79 LEU HB3 H 1 1.048 0.005 . 2 . . . A 79 LEU HB3 . 17553 1 889 . 1 1 79 79 LEU HG H 1 0.609 0.000 . 1 . . . A 79 LEU HG . 17553 1 890 . 1 1 79 79 LEU HD11 H 1 0.769 0.002 . 1 . . . A 79 LEU HD11 . 17553 1 891 . 1 1 79 79 LEU HD12 H 1 0.769 0.002 . 1 . . . A 79 LEU HD12 . 17553 1 892 . 1 1 79 79 LEU HD13 H 1 0.769 0.002 . 1 . . . A 79 LEU HD13 . 17553 1 893 . 1 1 79 79 LEU HD21 H 1 -0.494 0.000 . 1 . . . A 79 LEU HD21 . 17553 1 894 . 1 1 79 79 LEU HD22 H 1 -0.494 0.000 . 1 . . . A 79 LEU HD22 . 17553 1 895 . 1 1 79 79 LEU HD23 H 1 -0.494 0.000 . 1 . . . A 79 LEU HD23 . 17553 1 896 . 1 1 79 79 LEU C C 13 177.612 0.000 . 1 . . . A 79 LEU C . 17553 1 897 . 1 1 79 79 LEU CA C 13 58.761 0.041 . 1 . . . A 79 LEU CA . 17553 1 898 . 1 1 79 79 LEU CB C 13 40.909 0.016 . 1 . . . A 79 LEU CB . 17553 1 899 . 1 1 79 79 LEU CG C 13 26.664 0.000 . 1 . . . A 79 LEU CG . 17553 1 900 . 1 1 79 79 LEU CD1 C 13 24.110 0.035 . 2 . . . A 79 LEU CD1 . 17553 1 901 . 1 1 79 79 LEU CD2 C 13 26.390 0.041 . 2 . . . A 79 LEU CD2 . 17553 1 902 . 1 1 79 79 LEU N N 15 122.467 0.026 . 1 . . . A 79 LEU N . 17553 1 903 . 1 1 80 80 ASP H H 1 9.152 0.004 . 1 . . . A 80 ASP H . 17553 1 904 . 1 1 80 80 ASP HA H 1 4.544 0.007 . 1 . . . A 80 ASP HA . 17553 1 905 . 1 1 80 80 ASP HB2 H 1 3.071 0.001 . 2 . . . A 80 ASP HB2 . 17553 1 906 . 1 1 80 80 ASP HB3 H 1 2.721 0.006 . 2 . . . A 80 ASP HB3 . 17553 1 907 . 1 1 80 80 ASP C C 13 178.540 0.000 . 1 . . . A 80 ASP C . 17553 1 908 . 1 1 80 80 ASP CA C 13 57.817 0.076 . 1 . . . A 80 ASP CA . 17553 1 909 . 1 1 80 80 ASP CB C 13 40.958 0.009 . 1 . . . A 80 ASP CB . 17553 1 910 . 1 1 80 80 ASP N N 15 117.387 0.023 . 1 . . . A 80 ASP N . 17553 1 911 . 1 1 81 81 THR H H 1 7.632 0.001 . 1 . . . A 81 THR H . 17553 1 912 . 1 1 81 81 THR HA H 1 4.123 0.003 . 1 . . . A 81 THR HA . 17553 1 913 . 1 1 81 81 THR HB H 1 4.472 0.003 . 1 . . . A 81 THR HB . 17553 1 914 . 1 1 81 81 THR HG21 H 1 1.326 0.000 . 1 . . . A 81 THR HG21 . 17553 1 915 . 1 1 81 81 THR HG22 H 1 1.326 0.000 . 1 . . . A 81 THR HG22 . 17553 1 916 . 1 1 81 81 THR HG23 H 1 1.326 0.000 . 1 . . . A 81 THR HG23 . 17553 1 917 . 1 1 81 81 THR C C 13 175.791 0.000 . 1 . . . A 81 THR C . 17553 1 918 . 1 1 81 81 THR CA C 13 65.489 0.038 . 1 . . . A 81 THR CA . 17553 1 919 . 1 1 81 81 THR CB C 13 69.542 0.002 . 1 . . . A 81 THR CB . 17553 1 920 . 1 1 81 81 THR CG2 C 13 21.366 0.000 . 1 . . . A 81 THR CG2 . 17553 1 921 . 1 1 81 81 THR N N 15 112.396 0.020 . 1 . . . A 81 THR N . 17553 1 922 . 1 1 82 82 LEU H H 1 8.010 0.005 . 1 . . . A 82 LEU H . 17553 1 923 . 1 1 82 82 LEU HA H 1 4.343 0.005 . 1 . . . A 82 LEU HA . 17553 1 924 . 1 1 82 82 LEU HB2 H 1 1.832 0.005 . 2 . . . A 82 LEU HB2 . 17553 1 925 . 1 1 82 82 LEU HB3 H 1 1.658 0.005 . 2 . . . A 82 LEU HB3 . 17553 1 926 . 1 1 82 82 LEU HG H 1 1.883 0.000 . 1 . . . A 82 LEU HG . 17553 1 927 . 1 1 82 82 LEU HD11 H 1 0.963 0.000 . 1 . . . A 82 LEU HD11 . 17553 1 928 . 1 1 82 82 LEU HD12 H 1 0.963 0.000 . 1 . . . A 82 LEU HD12 . 17553 1 929 . 1 1 82 82 LEU HD13 H 1 0.963 0.000 . 1 . . . A 82 LEU HD13 . 17553 1 930 . 1 1 82 82 LEU HD21 H 1 0.937 0.003 . 1 . . . A 82 LEU HD21 . 17553 1 931 . 1 1 82 82 LEU HD22 H 1 0.937 0.003 . 1 . . . A 82 LEU HD22 . 17553 1 932 . 1 1 82 82 LEU HD23 H 1 0.937 0.003 . 1 . . . A 82 LEU HD23 . 17553 1 933 . 1 1 82 82 LEU C C 13 178.164 0.000 . 1 . . . A 82 LEU C . 17553 1 934 . 1 1 82 82 LEU CA C 13 56.803 0.030 . 1 . . . A 82 LEU CA . 17553 1 935 . 1 1 82 82 LEU CB C 13 43.996 0.020 . 1 . . . A 82 LEU CB . 17553 1 936 . 1 1 82 82 LEU CG C 13 26.979 0.000 . 1 . . . A 82 LEU CG . 17553 1 937 . 1 1 82 82 LEU CD1 C 13 22.378 0.000 . 2 . . . A 82 LEU CD1 . 17553 1 938 . 1 1 82 82 LEU CD2 C 13 25.991 0.036 . 2 . . . A 82 LEU CD2 . 17553 1 939 . 1 1 82 82 LEU N N 15 121.831 0.023 . 1 . . . A 82 LEU N . 17553 1 940 . 1 1 83 83 ALA H H 1 9.093 0.004 . 1 . . . A 83 ALA H . 17553 1 941 . 1 1 83 83 ALA HA H 1 4.931 0.000 . 1 . . . A 83 ALA HA . 17553 1 942 . 1 1 83 83 ALA HB1 H 1 1.375 0.002 . 1 . . . A 83 ALA HB1 . 17553 1 943 . 1 1 83 83 ALA HB2 H 1 1.375 0.002 . 1 . . . A 83 ALA HB2 . 17553 1 944 . 1 1 83 83 ALA HB3 H 1 1.375 0.002 . 1 . . . A 83 ALA HB3 . 17553 1 945 . 1 1 83 83 ALA C C 13 172.937 0.000 . 1 . . . A 83 ALA C . 17553 1 946 . 1 1 83 83 ALA CA C 13 49.928 0.000 . 1 . . . A 83 ALA CA . 17553 1 947 . 1 1 83 83 ALA CB C 13 18.987 0.040 . 1 . . . A 83 ALA CB . 17553 1 948 . 1 1 83 83 ALA N N 15 122.964 0.017 . 1 . . . A 83 ALA N . 17553 1 949 . 1 1 84 84 PRO HA H 1 4.746 0.000 . 1 . . . A 84 PRO HA . 17553 1 950 . 1 1 84 84 PRO HB2 H 1 2.009 0.009 . 2 . . . A 84 PRO HB2 . 17553 1 951 . 1 1 84 84 PRO HB3 H 1 2.571 0.006 . 2 . . . A 84 PRO HB3 . 17553 1 952 . 1 1 84 84 PRO HG2 H 1 2.172 0.000 . 2 . . . A 84 PRO HG2 . 17553 1 953 . 1 1 84 84 PRO HG3 H 1 2.093 0.000 . 2 . . . A 84 PRO HG3 . 17553 1 954 . 1 1 84 84 PRO HD2 H 1 3.711 0.005 . 2 . . . A 84 PRO HD2 . 17553 1 955 . 1 1 84 84 PRO HD3 H 1 3.487 0.004 . 2 . . . A 84 PRO HD3 . 17553 1 956 . 1 1 84 84 PRO C C 13 179.052 0.000 . 1 . . . A 84 PRO C . 17553 1 957 . 1 1 84 84 PRO CA C 13 65.344 0.000 . 1 . . . A 84 PRO CA . 17553 1 958 . 1 1 84 84 PRO CB C 13 32.181 0.018 . 1 . . . A 84 PRO CB . 17553 1 959 . 1 1 84 84 PRO CG C 13 27.552 0.018 . 1 . . . A 84 PRO CG . 17553 1 960 . 1 1 84 84 PRO CD C 13 49.646 0.005 . 1 . . . A 84 PRO CD . 17553 1 961 . 1 1 85 85 SER H H 1 8.313 0.006 . 1 . . . A 85 SER H . 17553 1 962 . 1 1 85 85 SER HA H 1 4.545 0.005 . 1 . . . A 85 SER HA . 17553 1 963 . 1 1 85 85 SER HB2 H 1 4.054 0.011 . 2 . . . A 85 SER HB2 . 17553 1 964 . 1 1 85 85 SER HB3 H 1 4.000 0.002 . 2 . . . A 85 SER HB3 . 17553 1 965 . 1 1 85 85 SER C C 13 176.203 0.000 . 1 . . . A 85 SER C . 17553 1 966 . 1 1 85 85 SER CA C 13 57.774 0.003 . 1 . . . A 85 SER CA . 17553 1 967 . 1 1 85 85 SER CB C 13 63.290 0.053 . 1 . . . A 85 SER CB . 17553 1 968 . 1 1 85 85 SER N N 15 112.018 0.005 . 1 . . . A 85 SER N . 17553 1 969 . 1 1 86 86 TRP H H 1 8.278 0.004 . 1 . . . A 86 TRP H . 17553 1 970 . 1 1 86 86 TRP HA H 1 3.893 0.009 . 1 . . . A 86 TRP HA . 17553 1 971 . 1 1 86 86 TRP HB2 H 1 2.808 0.002 . 2 . . . A 86 TRP HB2 . 17553 1 972 . 1 1 86 86 TRP HB3 H 1 1.792 0.011 . 2 . . . A 86 TRP HB3 . 17553 1 973 . 1 1 86 86 TRP HD1 H 1 7.764 0.000 . 1 . . . A 86 TRP HD1 . 17553 1 974 . 1 1 86 86 TRP HE1 H 1 10.586 0.000 . 1 . . . A 86 TRP HE1 . 17553 1 975 . 1 1 86 86 TRP HE3 H 1 7.200 0.000 . 1 . . . A 86 TRP HE3 . 17553 1 976 . 1 1 86 86 TRP HZ2 H 1 7.291 0.000 . 1 . . . A 86 TRP HZ2 . 17553 1 977 . 1 1 86 86 TRP C C 13 176.700 0.000 . 1 . . . A 86 TRP C . 17553 1 978 . 1 1 86 86 TRP CA C 13 60.247 0.000 . 1 . . . A 86 TRP CA . 17553 1 979 . 1 1 86 86 TRP CB C 13 25.410 0.024 . 1 . . . A 86 TRP CB . 17553 1 980 . 1 1 86 86 TRP CD1 C 13 128.743 0.000 . 1 . . . A 86 TRP CD1 . 17553 1 981 . 1 1 86 86 TRP CE3 C 13 123.146 0.000 . 1 . . . A 86 TRP CE3 . 17553 1 982 . 1 1 86 86 TRP CZ2 C 13 113.225 0.000 . 1 . . . A 86 TRP CZ2 . 17553 1 983 . 1 1 86 86 TRP N N 15 123.153 0.030 . 1 . . . A 86 TRP N . 17553 1 984 . 1 1 86 86 TRP NE1 N 15 131.084 0.000 . 1 . . . A 86 TRP NE1 . 17553 1 985 . 1 1 87 87 ARG H H 1 6.973 0.010 . 1 . . . A 87 ARG H . 17553 1 986 . 1 1 87 87 ARG HA H 1 3.344 0.006 . 1 . . . A 87 ARG HA . 17553 1 987 . 1 1 87 87 ARG HB2 H 1 1.225 0.006 . 2 . . . A 87 ARG HB2 . 17553 1 988 . 1 1 87 87 ARG HB3 H 1 0.810 0.009 . 2 . . . A 87 ARG HB3 . 17553 1 989 . 1 1 87 87 ARG HG2 H 1 -0.374 0.006 . 2 . . . A 87 ARG HG2 . 17553 1 990 . 1 1 87 87 ARG HG3 H 1 -0.252 0.002 . 2 . . . A 87 ARG HG3 . 17553 1 991 . 1 1 87 87 ARG HD2 H 1 2.470 0.000 . 2 . . . A 87 ARG HD2 . 17553 1 992 . 1 1 87 87 ARG HD3 H 1 2.623 0.000 . 2 . . . A 87 ARG HD3 . 17553 1 993 . 1 1 87 87 ARG HE H 1 7.295 0.015 . 1 . . . A 87 ARG HE . 17553 1 994 . 1 1 87 87 ARG C C 13 176.351 0.000 . 1 . . . A 87 ARG C . 17553 1 995 . 1 1 87 87 ARG CA C 13 56.978 0.013 . 1 . . . A 87 ARG CA . 17553 1 996 . 1 1 87 87 ARG CB C 13 29.789 0.008 . 1 . . . A 87 ARG CB . 17553 1 997 . 1 1 87 87 ARG CG C 13 25.689 0.009 . 1 . . . A 87 ARG CG . 17553 1 998 . 1 1 87 87 ARG CD C 13 42.798 0.023 . 1 . . . A 87 ARG CD . 17553 1 999 . 1 1 87 87 ARG N N 15 119.029 0.021 . 1 . . . A 87 ARG N . 17553 1 1000 . 1 1 87 87 ARG NE N 15 115.346 0.039 . 1 . . . A 87 ARG NE . 17553 1 1001 . 1 1 88 88 ASN H H 1 7.700 0.002 . 1 . . . A 88 ASN H . 17553 1 1002 . 1 1 88 88 ASN HA H 1 4.290 0.003 . 1 . . . A 88 ASN HA . 17553 1 1003 . 1 1 88 88 ASN HB2 H 1 2.823 0.006 . 2 . . . A 88 ASN HB2 . 17553 1 1004 . 1 1 88 88 ASN HB3 H 1 2.722 0.001 . 2 . . . A 88 ASN HB3 . 17553 1 1005 . 1 1 88 88 ASN HD21 H 1 6.832 0.000 . 2 . . . A 88 ASN HD21 . 17553 1 1006 . 1 1 88 88 ASN HD22 H 1 7.499 0.000 . 2 . . . A 88 ASN HD22 . 17553 1 1007 . 1 1 88 88 ASN C C 13 179.994 0.000 . 1 . . . A 88 ASN C . 17553 1 1008 . 1 1 88 88 ASN CA C 13 55.392 0.057 . 1 . . . A 88 ASN CA . 17553 1 1009 . 1 1 88 88 ASN CB C 13 39.789 0.067 . 1 . . . A 88 ASN CB . 17553 1 1010 . 1 1 88 88 ASN N N 15 122.518 0.020 . 1 . . . A 88 ASN N . 17553 1 1011 . 1 1 88 88 ASN ND2 N 15 111.413 0.003 . 1 . . . A 88 ASN ND2 . 17553 1 stop_ save_