data_18753 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18753 _Entry.Title ; Structure of the biofilm matrix promoter AbbA from B. subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-10-02 _Entry.Accession_date 2012-10-02 _Entry.Last_release_date 2013-09-10 _Entry.Original_release_date 2013-09-10 _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 Benjamin Bobay . G. . 18753 2 Ashley Tucker . T. . 18753 3 Richard Losick . . . 18753 4 John Cavanagh . . . 18753 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' 'not applicable' . 18753 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AbrB . 18753 Biofilm . 18753 DNA-mimic . 18753 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18753 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 274 18753 '15N chemical shifts' 68 18753 '1H chemical shifts' 443 18753 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 . . 2013-09-10 2012-10-02 original author . 18753 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LZF 'BMRB Entry Tracking System' 18753 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18753 _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 'Structure of the biofilm matrix promoter AbbA from B. subtilis' _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 Ashley Tucker . T. . 18753 1 2 Benjamin Bobay . G. . 18753 1 3 Allison Banse . V. . 18753 1 4 Andrew Olson . L. . 18753 1 5 Richele Thompson . J. . 18753 1 6 Kristen Varney . M. . 18753 1 7 Richard Losick . . . 18753 1 8 John Cavanagh . . . 18753 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18753 _Assembly.ID 1 _Assembly.Name 'biofilm matrix promoter AbbA from B. subtilis' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'biofilm matrix promoter AbbA from B. subtilis, 1' 1 $entity A . yes native no no . . . 18753 1 2 'biofilm matrix promoter AbbA from B. subtilis, 2' 1 $entity B . yes native no no . . . 18753 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18753 _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,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMRMSLIGERFTEEEQKL LLNILINHEYAIELLSSEIN DIETGTKNVDGTTYKKLVTL YDRFRFEN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-3 represent a non-native sequence left after cleavage of affinity tag' _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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7989.087 _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 2LZF . "Structure Of The Biofilm Matrix Promoter Abba From B. Subtilis" . . . . . 100.00 68 100.00 100.00 1.16e-39 . . . . 18753 1 2 no DBJ BAI85022 . "hypothetical protein BSNT_07905 [Bacillus subtilis subsp. natto BEST195]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1 3 no DBJ BAM52057 . "hypothetical protein BEST7613_3126 [Synechocystis sp. PCC 6803]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1 4 no DBJ BAM57634 . "hypothetical protein BEST7003_1433 [Bacillus subtilis BEST7003]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1 5 no DBJ GAK78528 . "hypothetical protein BSMD_004250 [Bacillus subtilis Miyagi-4]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1 6 no EMBL CAB13285 . "regulator of AbrB repressor [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 95.59 65 100.00 100.00 6.08e-37 . . . . 18753 1 7 no EMBL CCU57976 . "hypothetical protein BSUBE1_1345 [Bacillus subtilis E1]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1 8 no EMBL CEI56592 . "hypothetical protein BS49_15890 [Bacillus subtilis]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1 9 no EMBL CEJ76998 . "hypothetical protein BS34A_15710 [Bacillus sp.]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1 10 no EMBL CJS26336 . "Uncharacterised protein [Streptococcus pneumoniae]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1 11 no GB ADM37499 . "conserved hypothetical protein [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1 12 no GB ADP31919 . "hypothetical protein BATR1942_04825 [Bacillus atrophaeus 1942]" . . . . . 92.65 63 98.41 100.00 4.92e-35 . . . . 18753 1 13 no GB ADV96430 . "hypothetical protein BSn5_19130 [Bacillus subtilis BSn5]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1 14 no GB AEP86387 . "conserved domain protein [Bacillus subtilis subsp. spizizenii TU-B-10]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1 15 no GB AEP90557 . "conserved domain protein [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1 16 no REF NP_389295 . "hypothetical protein BSU14120 [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 95.59 65 100.00 100.00 6.08e-37 . . . . 18753 1 17 no REF WP_003218673 . "MULTISPECIES: hypothetical protein [Bacillales]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1 18 no REF WP_003327264 . "MULTISPECIES: hypothetical protein [Bacillus subtilis group]" . . . . . 92.65 63 98.41 100.00 4.92e-35 . . . . 18753 1 19 no REF WP_010886502 . "hypothetical protein [Bacillus subtilis]" . . . . . 95.59 65 100.00 100.00 6.08e-37 . . . . 18753 1 20 no REF WP_046160339 . "hypothetical protein [Bacillus sp. CMAA 1185]" . . . . . 92.65 63 98.41 98.41 5.48e-34 . . . . 18753 1 21 no SP O31697 . "RecName: Full=Uncharacterized protein YkzF" . . . . . 95.59 65 100.00 100.00 6.08e-37 . . . . 18753 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 18753 1 2 . SER . 18753 1 3 . HIS . 18753 1 4 . MET . 18753 1 5 . ARG . 18753 1 6 . MET . 18753 1 7 . SER . 18753 1 8 . LEU . 18753 1 9 . ILE . 18753 1 10 . GLY . 18753 1 11 . GLU . 18753 1 12 . ARG . 18753 1 13 . PHE . 18753 1 14 . THR . 18753 1 15 . GLU . 18753 1 16 . GLU . 18753 1 17 . GLU . 18753 1 18 . GLN . 18753 1 19 . LYS . 18753 1 20 . LEU . 18753 1 21 . LEU . 18753 1 22 . LEU . 18753 1 23 . ASN . 18753 1 24 . ILE . 18753 1 25 . LEU . 18753 1 26 . ILE . 18753 1 27 . ASN . 18753 1 28 . HIS . 18753 1 29 . GLU . 18753 1 30 . TYR . 18753 1 31 . ALA . 18753 1 32 . ILE . 18753 1 33 . GLU . 18753 1 34 . LEU . 18753 1 35 . LEU . 18753 1 36 . SER . 18753 1 37 . SER . 18753 1 38 . GLU . 18753 1 39 . ILE . 18753 1 40 . ASN . 18753 1 41 . ASP . 18753 1 42 . ILE . 18753 1 43 . GLU . 18753 1 44 . THR . 18753 1 45 . GLY . 18753 1 46 . THR . 18753 1 47 . LYS . 18753 1 48 . ASN . 18753 1 49 . VAL . 18753 1 50 . ASP . 18753 1 51 . GLY . 18753 1 52 . THR . 18753 1 53 . THR . 18753 1 54 . TYR . 18753 1 55 . LYS . 18753 1 56 . LYS . 18753 1 57 . LEU . 18753 1 58 . VAL . 18753 1 59 . THR . 18753 1 60 . LEU . 18753 1 61 . TYR . 18753 1 62 . ASP . 18753 1 63 . ARG . 18753 1 64 . PHE . 18753 1 65 . ARG . 18753 1 66 . PHE . 18753 1 67 . GLU . 18753 1 68 . ASN . 18753 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18753 1 . SER 2 2 18753 1 . HIS 3 3 18753 1 . MET 4 4 18753 1 . ARG 5 5 18753 1 . MET 6 6 18753 1 . SER 7 7 18753 1 . LEU 8 8 18753 1 . ILE 9 9 18753 1 . GLY 10 10 18753 1 . GLU 11 11 18753 1 . ARG 12 12 18753 1 . PHE 13 13 18753 1 . THR 14 14 18753 1 . GLU 15 15 18753 1 . GLU 16 16 18753 1 . GLU 17 17 18753 1 . GLN 18 18 18753 1 . LYS 19 19 18753 1 . LEU 20 20 18753 1 . LEU 21 21 18753 1 . LEU 22 22 18753 1 . ASN 23 23 18753 1 . ILE 24 24 18753 1 . LEU 25 25 18753 1 . ILE 26 26 18753 1 . ASN 27 27 18753 1 . HIS 28 28 18753 1 . GLU 29 29 18753 1 . TYR 30 30 18753 1 . ALA 31 31 18753 1 . ILE 32 32 18753 1 . GLU 33 33 18753 1 . LEU 34 34 18753 1 . LEU 35 35 18753 1 . SER 36 36 18753 1 . SER 37 37 18753 1 . GLU 38 38 18753 1 . ILE 39 39 18753 1 . ASN 40 40 18753 1 . ASP 41 41 18753 1 . ILE 42 42 18753 1 . GLU 43 43 18753 1 . THR 44 44 18753 1 . GLY 45 45 18753 1 . THR 46 46 18753 1 . LYS 47 47 18753 1 . ASN 48 48 18753 1 . VAL 49 49 18753 1 . ASP 50 50 18753 1 . GLY 51 51 18753 1 . THR 52 52 18753 1 . THR 53 53 18753 1 . TYR 54 54 18753 1 . LYS 55 55 18753 1 . LYS 56 56 18753 1 . LEU 57 57 18753 1 . VAL 58 58 18753 1 . THR 59 59 18753 1 . LEU 60 60 18753 1 . TYR 61 61 18753 1 . ASP 62 62 18753 1 . ARG 63 63 18753 1 . PHE 64 64 18753 1 . ARG 65 65 18753 1 . PHE 66 66 18753 1 . GLU 67 67 18753 1 . ASN 68 68 18753 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 18753 _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 . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis 168 . . . . . . . . . . . . . . . ykzF . . . . 18753 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 18753 _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 Bl21(de3) . . . . . . . . . . . . . . . pET15b . . . . . . 18753 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18753 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Tris (pH 6.5), 200mM NaCl, 1mM EDTA, 1mM DTT, 0.02% NaN3' _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-100% 13C; U-100% 15N]' . . 1 $entity . . . 0.5 1.0 mM . . . . 18753 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18753 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18753 1 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 18753 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18753 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18753 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18753 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18753 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18753 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Tris (pH 6.5), 200mM NaCl, 1mM EDTA, 1mM DTT, 0.02% NaN3' _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 '[U-100% 13C; U-100% 15N]' . . 1 $entity . . . 0.5 1.0 mM . . . . 18753 2 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18753 2 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18753 2 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 18753 2 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18753 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18753 2 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18753 2 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 18753 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20mM Tris (pH 6.5), 200mM NaCl, 1mM EDTA, 1mM DTT, 0.02% NaN3' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 18753 1 pH 6.5 . pH 18753 1 pressure 1 . atm 18753 1 temperature 273 . K 18753 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18753 _Software.ID 1 _Software.Name NMRPipe _Software.Version 'Version 7.5 Rev 2012.204.11.07' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18753 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18753 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18753 _Software.ID 2 _Software.Name NMRDraw _Software.Version 'Version 7.5 Rev 2012.204.11.07' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18753 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18753 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18753 _Software.ID 3 _Software.Name NMRView _Software.Version 8a _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18753 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18753 3 'data analysis' 18753 3 'peak picking' 18753 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18753 _Software.ID 4 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18753 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18753 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18753 _Software.ID 5 _Software.Name AMBER _Software.Version 11 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 18753 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18753 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18753 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18753 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 18753 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 18753 1 2 spectrometer_2 Bruker Avance . 950 . . . 18753 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 18753 _Experiment_list.ID 1 _Experiment_list.Details 'The structure was determined using a combination of NOE, dihedral, hydrogen bond and residual dipolar coupling data.' 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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1 12 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1 14 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1 17 '3D 13C-12C isotope filtered NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18753 1 18 '2D 1H-15N HSQC RDC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1 19 '2D 1H-15N HSQC RDC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 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 18753 _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 na indirect 0.251449530 . . . . . . . . . 18753 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18753 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18753 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 18753 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 18753 1 2 '2D 1H-13C HSQC' . . . 18753 1 3 '3D CBCA(CO)NH' . . . 18753 1 4 '3D C(CO)NH' . . . 18753 1 5 '3D HNCO' . . . 18753 1 6 '3D HNCA' . . . 18753 1 7 '3D HNCACB' . . . 18753 1 8 '3D HBHA(CO)NH' . . . 18753 1 9 '3D HN(CO)CA' . . . 18753 1 10 '3D H(CCO)NH' . . . 18753 1 11 '3D HCCH-TOCSY' . . . 18753 1 13 '3D 1H-15N TOCSY' . . . 18753 1 14 '3D HN(CA)CO' . . . 18753 1 15 '3D 1H-15N NOESY' . . . 18753 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 3 3 HIS HA H 1 4.6070 0.01 . 1 . . . A 3 HIS HA . 18753 1 2 . 1 1 3 3 HIS HB2 H 1 3.2440 0.01 . 2 . . . A 3 HIS HB2 . 18753 1 3 . 1 1 3 3 HIS HB3 H 1 3.3250 0.01 . 2 . . . A 3 HIS HB3 . 18753 1 4 . 1 1 3 3 HIS C C 13 175.1190 0.1 . 1 . . . A 3 HIS C . 18753 1 5 . 1 1 3 3 HIS CA C 13 56.5190 0.1 . 1 . . . A 3 HIS CA . 18753 1 6 . 1 1 3 3 HIS CB C 13 30.4380 0.1 . 1 . . . A 3 HIS CB . 18753 1 7 . 1 1 4 4 MET H H 1 8.4320 0.01 . 1 . . . A 4 MET H . 18753 1 8 . 1 1 4 4 MET HA H 1 4.4760 0.01 . 1 . . . A 4 MET HA . 18753 1 9 . 1 1 4 4 MET HB3 H 1 2.0460 0.01 . 2 . . . A 4 MET HB3 . 18753 1 10 . 1 1 4 4 MET HG2 H 1 2.5520 0.01 . 2 . . . A 4 MET HG2 . 18753 1 11 . 1 1 4 4 MET HG3 H 1 2.4850 0.01 . 2 . . . A 4 MET HG3 . 18753 1 12 . 1 1 4 4 MET C C 13 175.9830 0.1 . 1 . . . A 4 MET C . 18753 1 13 . 1 1 4 4 MET CA C 13 56.0720 0.1 . 1 . . . A 4 MET CA . 18753 1 14 . 1 1 4 4 MET CB C 13 32.9370 0.1 . 1 . . . A 4 MET CB . 18753 1 15 . 1 1 4 4 MET CG C 13 31.0980 0.1 . 1 . . . A 4 MET CG . 18753 1 16 . 1 1 4 4 MET N N 15 121.8900 0.2 . 1 . . . A 4 MET N . 18753 1 17 . 1 1 5 5 ARG H H 1 8.4800 0.01 . 1 . . . A 5 ARG H . 18753 1 18 . 1 1 5 5 ARG HA H 1 4.3660 0.01 . 1 . . . A 5 ARG HA . 18753 1 19 . 1 1 5 5 ARG HB2 H 1 1.8870 0.01 . 2 . . . A 5 ARG HB2 . 18753 1 20 . 1 1 5 5 ARG HB3 H 1 1.8150 0.01 . 2 . . . A 5 ARG HB3 . 18753 1 21 . 1 1 5 5 ARG HG2 H 1 1.6270 0.01 . 2 . . . A 5 ARG HG2 . 18753 1 22 . 1 1 5 5 ARG HG3 H 1 1.6830 0.01 . 2 . . . A 5 ARG HG3 . 18753 1 23 . 1 1 5 5 ARG HD3 H 1 3.2270 0.01 . 2 . . . A 5 ARG HD3 . 18753 1 24 . 1 1 5 5 ARG C C 13 176.3860 0.1 . 1 . . . A 5 ARG C . 18753 1 25 . 1 1 5 5 ARG CA C 13 56.6850 0.1 . 1 . . . A 5 ARG CA . 18753 1 26 . 1 1 5 5 ARG CB C 13 30.8540 0.1 . 1 . . . A 5 ARG CB . 18753 1 27 . 1 1 5 5 ARG CG C 13 27.6900 0.1 . 1 . . . A 5 ARG CG . 18753 1 28 . 1 1 5 5 ARG CD C 13 43.6710 0.1 . 1 . . . A 5 ARG CD . 18753 1 29 . 1 1 5 5 ARG N N 15 122.6790 0.2 . 1 . . . A 5 ARG N . 18753 1 30 . 1 1 6 6 MET H H 1 8.5290 0.01 . 1 . . . A 6 MET H . 18753 1 31 . 1 1 6 6 MET HA H 1 4.5100 0.01 . 1 . . . A 6 MET HA . 18753 1 32 . 1 1 6 6 MET HB3 H 1 2.0890 0.01 . 2 . . . A 6 MET HB3 . 18753 1 33 . 1 1 6 6 MET HG2 H 1 2.6610 0.01 . 2 . . . A 6 MET HG2 . 18753 1 34 . 1 1 6 6 MET HG3 H 1 2.5440 0.01 . 2 . . . A 6 MET HG3 . 18753 1 35 . 1 1 6 6 MET C C 13 176.3390 0.1 . 1 . . . A 6 MET C . 18753 1 36 . 1 1 6 6 MET CA C 13 56.0950 0.1 . 1 . . . A 6 MET CA . 18753 1 37 . 1 1 6 6 MET CB C 13 32.8540 0.1 . 1 . . . A 6 MET CB . 18753 1 38 . 1 1 6 6 MET CG C 13 30.6480 0.1 . 1 . . . A 6 MET CG . 18753 1 39 . 1 1 6 6 MET N N 15 121.7080 0.2 . 1 . . . A 6 MET N . 18753 1 40 . 1 1 7 7 SER H H 1 8.3510 0.01 . 1 . . . A 7 SER H . 18753 1 41 . 1 1 7 7 SER HA H 1 4.6000 0.01 . 1 . . . A 7 SER HA . 18753 1 42 . 1 1 7 7 SER HB3 H 1 4.0020 0.01 . 2 . . . A 7 SER HB3 . 18753 1 43 . 1 1 7 7 SER C C 13 174.6290 0.1 . 1 . . . A 7 SER C . 18753 1 44 . 1 1 7 7 SER CA C 13 58.5950 0.1 . 1 . . . A 7 SER CA . 18753 1 45 . 1 1 7 7 SER CB C 13 64.1010 0.1 . 1 . . . A 7 SER CB . 18753 1 46 . 1 1 7 7 SER N N 15 116.4740 0.2 . 1 . . . A 7 SER N . 18753 1 47 . 1 1 8 8 LEU H H 1 8.4160 0.01 . 1 . . . A 8 LEU H . 18753 1 48 . 1 1 8 8 LEU HA H 1 4.4410 0.01 . 1 . . . A 8 LEU HA . 18753 1 49 . 1 1 8 8 LEU HB2 H 1 1.6500 0.01 . 2 . . . A 8 LEU HB2 . 18753 1 50 . 1 1 8 8 LEU HB3 H 1 1.7140 0.01 . 2 . . . A 8 LEU HB3 . 18753 1 51 . 1 1 8 8 LEU HG H 1 1.8750 0.01 . 1 . . . A 8 LEU HG . 18753 1 52 . 1 1 8 8 LEU HD11 H 1 0.8610 0.01 . 2 . . . A 8 LEU HD11 . 18753 1 53 . 1 1 8 8 LEU HD12 H 1 0.8610 0.01 . 2 . . . A 8 LEU HD12 . 18753 1 54 . 1 1 8 8 LEU HD13 H 1 0.8610 0.01 . 2 . . . A 8 LEU HD13 . 18753 1 55 . 1 1 8 8 LEU HD21 H 1 0.7940 0.01 . 2 . . . A 8 LEU HD21 . 18753 1 56 . 1 1 8 8 LEU HD22 H 1 0.7940 0.01 . 2 . . . A 8 LEU HD22 . 18753 1 57 . 1 1 8 8 LEU HD23 H 1 0.7940 0.01 . 2 . . . A 8 LEU HD23 . 18753 1 58 . 1 1 8 8 LEU C C 13 178.0720 0.1 . 1 . . . A 8 LEU C . 18753 1 59 . 1 1 8 8 LEU CA C 13 55.5040 0.1 . 1 . . . A 8 LEU CA . 18753 1 60 . 1 1 8 8 LEU CB C 13 42.1560 0.1 . 1 . . . A 8 LEU CB . 18753 1 61 . 1 1 8 8 LEU CG C 13 27.2090 0.1 . 1 . . . A 8 LEU CG . 18753 1 62 . 1 1 8 8 LEU CD1 C 13 25.5270 0.1 . 2 . . . A 8 LEU CD1 . 18753 1 63 . 1 1 8 8 LEU CD2 C 13 23.9000 0.1 . 2 . . . A 8 LEU CD2 . 18753 1 64 . 1 1 8 8 LEU N N 15 123.7900 0.2 . 1 . . . A 8 LEU N . 18753 1 65 . 1 1 9 9 ILE H H 1 8.1280 0.01 . 1 . . . A 9 ILE H . 18753 1 66 . 1 1 9 9 ILE HA H 1 4.0420 0.01 . 1 . . . A 9 ILE HA . 18753 1 67 . 1 1 9 9 ILE HB H 1 1.9330 0.01 . 1 . . . A 9 ILE HB . 18753 1 68 . 1 1 9 9 ILE HG12 H 1 0.9260 0.01 . 2 . . . A 9 ILE HG12 . 18753 1 69 . 1 1 9 9 ILE HG13 H 1 1.0000 0.01 . 2 . . . A 9 ILE HG13 . 18753 1 70 . 1 1 9 9 ILE HG21 H 1 0.7860 0.01 . 1 . . . A 9 ILE HG21 . 18753 1 71 . 1 1 9 9 ILE HG22 H 1 0.7860 0.01 . 1 . . . A 9 ILE HG22 . 18753 1 72 . 1 1 9 9 ILE HG23 H 1 0.7860 0.01 . 1 . . . A 9 ILE HG23 . 18753 1 73 . 1 1 9 9 ILE HD11 H 1 0.8690 0.01 . 1 . . . A 9 ILE HD11 . 18753 1 74 . 1 1 9 9 ILE HD12 H 1 0.8690 0.01 . 1 . . . A 9 ILE HD12 . 18753 1 75 . 1 1 9 9 ILE HD13 H 1 0.8690 0.01 . 1 . . . A 9 ILE HD13 . 18753 1 76 . 1 1 9 9 ILE C C 13 177.0510 0.1 . 1 . . . A 9 ILE C . 18753 1 77 . 1 1 9 9 ILE CA C 13 63.2550 0.1 . 1 . . . A 9 ILE CA . 18753 1 78 . 1 1 9 9 ILE CB C 13 38.1020 0.1 . 1 . . . A 9 ILE CB . 18753 1 79 . 1 1 9 9 ILE CG1 C 13 28.4260 0.1 . 1 . . . A 9 ILE CG1 . 18753 1 80 . 1 1 9 9 ILE CG2 C 13 17.8950 0.1 . 1 . . . A 9 ILE CG2 . 18753 1 81 . 1 1 9 9 ILE CD1 C 13 13.7280 0.1 . 1 . . . A 9 ILE CD1 . 18753 1 82 . 1 1 9 9 ILE N N 15 120.3900 0.2 . 1 . . . A 9 ILE N . 18753 1 83 . 1 1 10 10 GLY H H 1 8.4800 0.01 . 1 . . . A 10 GLY H . 18753 1 84 . 1 1 10 10 GLY HA3 H 1 3.9500 0.01 . 2 . . . A 10 GLY HA3 . 18753 1 85 . 1 1 10 10 GLY C C 13 174.7480 0.1 . 1 . . . A 10 GLY C . 18753 1 86 . 1 1 10 10 GLY CA C 13 46.0800 0.1 . 1 . . . A 10 GLY CA . 18753 1 87 . 1 1 10 10 GLY N N 15 109.8550 0.2 . 1 . . . A 10 GLY N . 18753 1 88 . 1 1 11 11 GLU H H 1 7.8880 0.01 . 1 . . . A 11 GLU H . 18753 1 89 . 1 1 11 11 GLU HA H 1 4.2790 0.01 . 1 . . . A 11 GLU HA . 18753 1 90 . 1 1 11 11 GLU HB2 H 1 2.0170 0.01 . 2 . . . A 11 GLU HB2 . 18753 1 91 . 1 1 11 11 GLU HB3 H 1 2.1060 0.01 . 2 . . . A 11 GLU HB3 . 18753 1 92 . 1 1 11 11 GLU HG2 H 1 2.2960 0.01 . 2 . . . A 11 GLU HG2 . 18753 1 93 . 1 1 11 11 GLU HG3 H 1 2.2570 0.01 . 2 . . . A 11 GLU HG3 . 18753 1 94 . 1 1 11 11 GLU C C 13 176.7420 0.1 . 1 . . . A 11 GLU C . 18753 1 95 . 1 1 11 11 GLU CA C 13 56.7620 0.1 . 1 . . . A 11 GLU CA . 18753 1 96 . 1 1 11 11 GLU CB C 13 30.1880 0.1 . 1 . . . A 11 GLU CB . 18753 1 97 . 1 1 11 11 GLU CG C 13 36.8050 0.1 . 1 . . . A 11 GLU CG . 18753 1 98 . 1 1 11 11 GLU N N 15 118.7230 0.2 . 1 . . . A 11 GLU N . 18753 1 99 . 1 1 12 12 ARG H H 1 7.8880 0.01 . 1 . . . A 12 ARG H . 18753 1 100 . 1 1 12 12 ARG HA H 1 4.2910 0.01 . 1 . . . A 12 ARG HA . 18753 1 101 . 1 1 12 12 ARG HB2 H 1 1.6820 0.01 . 2 . . . A 12 ARG HB2 . 18753 1 102 . 1 1 12 12 ARG HB3 H 1 1.5960 0.01 . 2 . . . A 12 ARG HB3 . 18753 1 103 . 1 1 12 12 ARG HG3 H 1 1.2960 0.01 . 2 . . . A 12 ARG HG3 . 18753 1 104 . 1 1 12 12 ARG HD3 H 1 3.1280 0.01 . 2 . . . A 12 ARG HD3 . 18753 1 105 . 1 1 12 12 ARG C C 13 175.6030 0.1 . 1 . . . A 12 ARG C . 18753 1 106 . 1 1 12 12 ARG CA C 13 56.5120 0.1 . 1 . . . A 12 ARG CA . 18753 1 107 . 1 1 12 12 ARG CB C 13 31.6040 0.1 . 1 . . . A 12 ARG CB . 18753 1 108 . 1 1 12 12 ARG CG C 13 27.2700 0.1 . 1 . . . A 12 ARG CG . 18753 1 109 . 1 1 12 12 ARG CD C 13 43.8210 0.1 . 1 . . . A 12 ARG CD . 18753 1 110 . 1 1 12 12 ARG N N 15 118.9960 0.2 . 1 . . . A 12 ARG N . 18753 1 111 . 1 1 13 13 PHE H H 1 8.0980 0.01 . 1 . . . A 13 PHE H . 18753 1 112 . 1 1 13 13 PHE HA H 1 5.2270 0.01 . 1 . . . A 13 PHE HA . 18753 1 113 . 1 1 13 13 PHE HB2 H 1 2.8600 0.01 . 2 . . . A 13 PHE HB2 . 18753 1 114 . 1 1 13 13 PHE HB3 H 1 3.2730 0.01 . 2 . . . A 13 PHE HB3 . 18753 1 115 . 1 1 13 13 PHE HD1 H 1 7.2800 0.01 . 1 . . . A 13 PHE HD1 . 18753 1 116 . 1 1 13 13 PHE C C 13 176.7900 0.1 . 1 . . . A 13 PHE C . 18753 1 117 . 1 1 13 13 PHE CA C 13 56.6220 0.1 . 1 . . . A 13 PHE CA . 18753 1 118 . 1 1 13 13 PHE CB C 13 41.6550 0.1 . 1 . . . A 13 PHE CB . 18753 1 119 . 1 1 13 13 PHE CD1 C 13 131.9700 0.1 . 3 . . . A 13 PHE CD1 . 18753 1 120 . 1 1 13 13 PHE N N 15 118.5090 0.2 . 1 . . . A 13 PHE N . 18753 1 121 . 1 1 14 14 THR H H 1 9.5600 0.01 . 1 . . . A 14 THR H . 18753 1 122 . 1 1 14 14 THR HA H 1 4.9630 0.01 . 1 . . . A 14 THR HA . 18753 1 123 . 1 1 14 14 THR HB H 1 4.4680 0.01 . 1 . . . A 14 THR HB . 18753 1 124 . 1 1 14 14 THR HG21 H 1 1.3900 0.01 . 1 . . . A 14 THR HG21 . 18753 1 125 . 1 1 14 14 THR HG22 H 1 1.3900 0.01 . 1 . . . A 14 THR HG22 . 18753 1 126 . 1 1 14 14 THR HG23 H 1 1.3900 0.01 . 1 . . . A 14 THR HG23 . 18753 1 127 . 1 1 14 14 THR C C 13 175.6260 0.1 . 1 . . . A 14 THR C . 18753 1 128 . 1 1 14 14 THR CA C 13 61.2140 0.1 . 1 . . . A 14 THR CA . 18753 1 129 . 1 1 14 14 THR CB C 13 71.1980 0.1 . 1 . . . A 14 THR CB . 18753 1 130 . 1 1 14 14 THR CG2 C 13 22.3240 0.1 . 1 . . . A 14 THR CG2 . 18753 1 131 . 1 1 14 14 THR N N 15 116.0650 0.2 . 1 . . . A 14 THR N . 18753 1 132 . 1 1 15 15 GLU H H 1 9.2040 0.01 . 1 . . . A 15 GLU H . 18753 1 133 . 1 1 15 15 GLU HA H 1 4.0340 0.01 . 1 . . . A 15 GLU HA . 18753 1 134 . 1 1 15 15 GLU HB2 H 1 2.2560 0.01 . 2 . . . A 15 GLU HB2 . 18753 1 135 . 1 1 15 15 GLU HB3 H 1 2.2150 0.01 . 2 . . . A 15 GLU HB3 . 18753 1 136 . 1 1 15 15 GLU HG3 H 1 2.5580 0.01 . 2 . . . A 15 GLU HG3 . 18753 1 137 . 1 1 15 15 GLU C C 13 178.9030 0.1 . 1 . . . A 15 GLU C . 18753 1 138 . 1 1 15 15 GLU CA C 13 60.8680 0.1 . 1 . . . A 15 GLU CA . 18753 1 139 . 1 1 15 15 GLU CB C 13 29.2720 0.1 . 1 . . . A 15 GLU CB . 18753 1 140 . 1 1 15 15 GLU CG C 13 36.9500 0.1 . 1 . . . A 15 GLU CG . 18753 1 141 . 1 1 15 15 GLU N N 15 122.0390 0.2 . 1 . . . A 15 GLU N . 18753 1 142 . 1 1 16 16 GLU H H 1 8.5300 0.01 . 1 . . . A 16 GLU H . 18753 1 143 . 1 1 16 16 GLU HA H 1 4.0530 0.01 . 1 . . . A 16 GLU HA . 18753 1 144 . 1 1 16 16 GLU HB3 H 1 2.1060 0.01 . 2 . . . A 16 GLU HB3 . 18753 1 145 . 1 1 16 16 GLU HG3 H 1 2.3500 0.01 . 2 . . . A 16 GLU HG3 . 18753 1 146 . 1 1 16 16 GLU C C 13 179.4960 0.1 . 1 . . . A 16 GLU C . 18753 1 147 . 1 1 16 16 GLU CA C 13 59.9280 0.1 . 1 . . . A 16 GLU CA . 18753 1 148 . 1 1 16 16 GLU CB C 13 29.7720 0.1 . 1 . . . A 16 GLU CB . 18753 1 149 . 1 1 16 16 GLU CG C 13 37.0120 0.1 . 1 . . . A 16 GLU CG . 18753 1 150 . 1 1 16 16 GLU N N 15 118.3300 0.2 . 1 . . . A 16 GLU N . 18753 1 151 . 1 1 17 17 GLU H H 1 7.8370 0.01 . 1 . . . A 17 GLU H . 18753 1 152 . 1 1 17 17 GLU HA H 1 3.8660 0.01 . 1 . . . A 17 GLU HA . 18753 1 153 . 1 1 17 17 GLU HB3 H 1 1.9730 0.01 . 2 . . . A 17 GLU HB3 . 18753 1 154 . 1 1 17 17 GLU HG2 H 1 2.2370 0.01 . 2 . . . A 17 GLU HG2 . 18753 1 155 . 1 1 17 17 GLU HG3 H 1 2.5520 0.01 . 2 . . . A 17 GLU HG3 . 18753 1 156 . 1 1 17 17 GLU C C 13 178.3330 0.1 . 1 . . . A 17 GLU C . 18753 1 157 . 1 1 17 17 GLU CA C 13 59.8440 0.1 . 1 . . . A 17 GLU CA . 18753 1 158 . 1 1 17 17 GLU CB C 13 29.7720 0.1 . 1 . . . A 17 GLU CB . 18753 1 159 . 1 1 17 17 GLU CG C 13 38.6220 0.1 . 1 . . . A 17 GLU CG . 18753 1 160 . 1 1 17 17 GLU N N 15 120.5840 0.2 . 1 . . . A 17 GLU N . 18753 1 161 . 1 1 18 18 GLN H H 1 8.6680 0.01 . 1 . . . A 18 GLN H . 18753 1 162 . 1 1 18 18 GLN HA H 1 3.6550 0.01 . 1 . . . A 18 GLN HA . 18753 1 163 . 1 1 18 18 GLN HB2 H 1 2.2570 0.01 . 2 . . . A 18 GLN HB2 . 18753 1 164 . 1 1 18 18 GLN HB3 H 1 2.1300 0.01 . 2 . . . A 18 GLN HB3 . 18753 1 165 . 1 1 18 18 GLN HG3 H 1 2.4330 0.01 . 2 . . . A 18 GLN HG3 . 18753 1 166 . 1 1 18 18 GLN HE21 H 1 7.0100 0.01 . 2 . . . A 18 GLN HE21 . 18753 1 167 . 1 1 18 18 GLN HE22 H 1 6.9290 0.01 . 2 . . . A 18 GLN HE22 . 18753 1 168 . 1 1 18 18 GLN C C 13 177.7160 0.1 . 1 . . . A 18 GLN C . 18753 1 169 . 1 1 18 18 GLN CA C 13 60.1780 0.1 . 1 . . . A 18 GLN CA . 18753 1 170 . 1 1 18 18 GLN CB C 13 28.8550 0.1 . 1 . . . A 18 GLN CB . 18753 1 171 . 1 1 18 18 GLN CG C 13 35.2790 0.1 . 1 . . . A 18 GLN CG . 18753 1 172 . 1 1 18 18 GLN N N 15 117.4420 0.2 . 1 . . . A 18 GLN N . 18753 1 173 . 1 1 18 18 GLN NE2 N 15 111.0970 0.2 . 1 . . . A 18 GLN NE2 . 18753 1 174 . 1 1 19 19 LYS H H 1 7.9620 0.01 . 1 . . . A 19 LYS H . 18753 1 175 . 1 1 19 19 LYS HA H 1 3.9840 0.01 . 1 . . . A 19 LYS HA . 18753 1 176 . 1 1 19 19 LYS HB2 H 1 1.9910 0.01 . 2 . . . A 19 LYS HB2 . 18753 1 177 . 1 1 19 19 LYS HB3 H 1 1.9350 0.01 . 2 . . . A 19 LYS HB3 . 18753 1 178 . 1 1 19 19 LYS HG2 H 1 1.7630 0.01 . 2 . . . A 19 LYS HG2 . 18753 1 179 . 1 1 19 19 LYS HG3 H 1 1.6850 0.01 . 2 . . . A 19 LYS HG3 . 18753 1 180 . 1 1 19 19 LYS HD2 H 1 1.5230 0.01 . 2 . . . A 19 LYS HD2 . 18753 1 181 . 1 1 19 19 LYS HD3 H 1 1.4100 0.01 . 2 . . . A 19 LYS HD3 . 18753 1 182 . 1 1 19 19 LYS HE3 H 1 3.0310 0.01 . 2 . . . A 19 LYS HE3 . 18753 1 183 . 1 1 19 19 LYS C C 13 178.8080 0.1 . 1 . . . A 19 LYS C . 18753 1 184 . 1 1 19 19 LYS CA C 13 56.2560 0.1 . 1 . . . A 19 LYS CA . 18753 1 185 . 1 1 19 19 LYS CB C 13 32.1320 0.1 . 1 . . . A 19 LYS CB . 18753 1 186 . 1 1 19 19 LYS CG C 13 25.7120 0.1 . 1 . . . A 19 LYS CG . 18753 1 187 . 1 1 19 19 LYS CD C 13 29.7730 0.1 . 1 . . . A 19 LYS CD . 18753 1 188 . 1 1 19 19 LYS CE C 13 42.4070 0.1 . 1 . . . A 19 LYS CE . 18753 1 189 . 1 1 19 19 LYS N N 15 117.9100 0.2 . 1 . . . A 19 LYS N . 18753 1 190 . 1 1 20 20 LEU H H 1 7.8370 0.01 . 1 . . . A 20 LEU H . 18753 1 191 . 1 1 20 20 LEU HA H 1 4.1350 0.01 . 1 . . . A 20 LEU HA . 18753 1 192 . 1 1 20 20 LEU HB2 H 1 1.6210 0.01 . 2 . . . A 20 LEU HB2 . 18753 1 193 . 1 1 20 20 LEU HB3 H 1 1.9000 0.01 . 2 . . . A 20 LEU HB3 . 18753 1 194 . 1 1 20 20 LEU HG H 1 1.7140 0.01 . 1 . . . A 20 LEU HG . 18753 1 195 . 1 1 20 20 LEU HD11 H 1 0.9320 0.01 . 2 . . . A 20 LEU HD11 . 18753 1 196 . 1 1 20 20 LEU HD12 H 1 0.9320 0.01 . 2 . . . A 20 LEU HD12 . 18753 1 197 . 1 1 20 20 LEU HD13 H 1 0.9320 0.01 . 2 . . . A 20 LEU HD13 . 18753 1 198 . 1 1 20 20 LEU HD21 H 1 0.9400 0.01 . 2 . . . A 20 LEU HD21 . 18753 1 199 . 1 1 20 20 LEU HD22 H 1 0.9400 0.01 . 2 . . . A 20 LEU HD22 . 18753 1 200 . 1 1 20 20 LEU HD23 H 1 0.9400 0.01 . 2 . . . A 20 LEU HD23 . 18753 1 201 . 1 1 20 20 LEU C C 13 179.2820 0.1 . 1 . . . A 20 LEU C . 18753 1 202 . 1 1 20 20 LEU CA C 13 58.5950 0.1 . 1 . . . A 20 LEU CA . 18753 1 203 . 1 1 20 20 LEU CB C 13 42.1840 0.1 . 1 . . . A 20 LEU CB . 18753 1 204 . 1 1 20 20 LEU CG C 13 27.0880 0.1 . 1 . . . A 20 LEU CG . 18753 1 205 . 1 1 20 20 LEU CD1 C 13 25.1660 0.1 . 2 . . . A 20 LEU CD1 . 18753 1 206 . 1 1 20 20 LEU CD2 C 13 21.3830 0.1 . 2 . . . A 20 LEU CD2 . 18753 1 207 . 1 1 20 20 LEU N N 15 120.5850 0.2 . 1 . . . A 20 LEU N . 18753 1 208 . 1 1 21 21 LEU H H 1 7.9160 0.01 . 1 . . . A 21 LEU H . 18753 1 209 . 1 1 21 21 LEU HA H 1 3.8310 0.01 . 1 . . . A 21 LEU HA . 18753 1 210 . 1 1 21 21 LEU HB3 H 1 1.8410 0.01 . 2 . . . A 21 LEU HB3 . 18753 1 211 . 1 1 21 21 LEU HG H 1 1.7440 0.01 . 1 . . . A 21 LEU HG . 18753 1 212 . 1 1 21 21 LEU HD11 H 1 0.4790 0.01 . 2 . . . A 21 LEU HD11 . 18753 1 213 . 1 1 21 21 LEU HD12 H 1 0.4790 0.01 . 2 . . . A 21 LEU HD12 . 18753 1 214 . 1 1 21 21 LEU HD13 H 1 0.4790 0.01 . 2 . . . A 21 LEU HD13 . 18753 1 215 . 1 1 21 21 LEU HD21 H 1 0.6770 0.01 . 2 . . . A 21 LEU HD21 . 18753 1 216 . 1 1 21 21 LEU HD22 H 1 0.6770 0.01 . 2 . . . A 21 LEU HD22 . 18753 1 217 . 1 1 21 21 LEU HD23 H 1 0.6770 0.01 . 2 . . . A 21 LEU HD23 . 18753 1 218 . 1 1 21 21 LEU C C 13 178.5940 0.1 . 1 . . . A 21 LEU C . 18753 1 219 . 1 1 21 21 LEU CA C 13 56.2980 0.1 . 1 . . . A 21 LEU CA . 18753 1 220 . 1 1 21 21 LEU CB C 13 42.3880 0.1 . 1 . . . A 21 LEU CB . 18753 1 221 . 1 1 21 21 LEU CG C 13 26.7180 0.1 . 1 . . . A 21 LEU CG . 18753 1 222 . 1 1 21 21 LEU CD1 C 13 25.1770 0.1 . 2 . . . A 21 LEU CD1 . 18753 1 223 . 1 1 21 21 LEU CD2 C 13 23.6810 0.1 . 2 . . . A 21 LEU CD2 . 18753 1 224 . 1 1 21 21 LEU N N 15 117.4430 0.2 . 1 . . . A 21 LEU N . 18753 1 225 . 1 1 22 22 LEU H H 1 8.4020 0.01 . 1 . . . A 22 LEU H . 18753 1 226 . 1 1 22 22 LEU HA H 1 3.8800 0.01 . 1 . . . A 22 LEU HA . 18753 1 227 . 1 1 22 22 LEU HB2 H 1 1.9760 0.01 . 2 . . . A 22 LEU HB2 . 18753 1 228 . 1 1 22 22 LEU HB3 H 1 1.6410 0.01 . 2 . . . A 22 LEU HB3 . 18753 1 229 . 1 1 22 22 LEU HG H 1 1.5980 0.01 . 1 . . . A 22 LEU HG . 18753 1 230 . 1 1 22 22 LEU HD11 H 1 0.8520 0.01 . 2 . . . A 22 LEU HD11 . 18753 1 231 . 1 1 22 22 LEU HD12 H 1 0.8520 0.01 . 2 . . . A 22 LEU HD12 . 18753 1 232 . 1 1 22 22 LEU HD13 H 1 0.8520 0.01 . 2 . . . A 22 LEU HD13 . 18753 1 233 . 1 1 22 22 LEU HD21 H 1 0.4440 0.01 . 2 . . . A 22 LEU HD21 . 18753 1 234 . 1 1 22 22 LEU HD22 H 1 0.4440 0.01 . 2 . . . A 22 LEU HD22 . 18753 1 235 . 1 1 22 22 LEU HD23 H 1 0.4440 0.01 . 2 . . . A 22 LEU HD23 . 18753 1 236 . 1 1 22 22 LEU C C 13 178.1190 0.1 . 1 . . . A 22 LEU C . 18753 1 237 . 1 1 22 22 LEU CA C 13 58.1810 0.1 . 1 . . . A 22 LEU CA . 18753 1 238 . 1 1 22 22 LEU CB C 13 41.9480 0.1 . 1 . . . A 22 LEU CB . 18753 1 239 . 1 1 22 22 LEU CG C 13 27.0170 0.1 . 1 . . . A 22 LEU CG . 18753 1 240 . 1 1 22 22 LEU CD1 C 13 24.3030 0.1 . 2 . . . A 22 LEU CD1 . 18753 1 241 . 1 1 22 22 LEU CD2 C 13 22.1580 0.1 . 2 . . . A 22 LEU CD2 . 18753 1 242 . 1 1 22 22 LEU N N 15 118.6070 0.2 . 1 . . . A 22 LEU N . 18753 1 243 . 1 1 23 23 ASN H H 1 8.2030 0.01 . 1 . . . A 23 ASN H . 18753 1 244 . 1 1 23 23 ASN HA H 1 4.4290 0.01 . 1 . . . A 23 ASN HA . 18753 1 245 . 1 1 23 23 ASN HB2 H 1 2.9930 0.01 . 2 . . . A 23 ASN HB2 . 18753 1 246 . 1 1 23 23 ASN HB3 H 1 2.8400 0.01 . 2 . . . A 23 ASN HB3 . 18753 1 247 . 1 1 23 23 ASN HD21 H 1 7.5780 0.01 . 2 . . . A 23 ASN HD21 . 18753 1 248 . 1 1 23 23 ASN HD22 H 1 6.9580 0.01 . 2 . . . A 23 ASN HD22 . 18753 1 249 . 1 1 23 23 ASN C C 13 177.8110 0.1 . 1 . . . A 23 ASN C . 18753 1 250 . 1 1 23 23 ASN CA C 13 56.7350 0.1 . 1 . . . A 23 ASN CA . 18753 1 251 . 1 1 23 23 ASN CB C 13 38.6850 0.1 . 1 . . . A 23 ASN CB . 18753 1 252 . 1 1 23 23 ASN N N 15 116.2950 0.2 . 1 . . . A 23 ASN N . 18753 1 253 . 1 1 23 23 ASN ND2 N 15 112.2330 0.2 . 1 . . . A 23 ASN ND2 . 18753 1 254 . 1 1 24 24 ILE H H 1 7.6860 0.01 . 1 . . . A 24 ILE H . 18753 1 255 . 1 1 24 24 ILE HA H 1 3.9560 0.01 . 1 . . . A 24 ILE HA . 18753 1 256 . 1 1 24 24 ILE HB H 1 1.9370 0.01 . 1 . . . A 24 ILE HB . 18753 1 257 . 1 1 24 24 ILE HG12 H 1 1.5470 0.01 . 2 . . . A 24 ILE HG12 . 18753 1 258 . 1 1 24 24 ILE HG13 H 1 1.6820 0.01 . 2 . . . A 24 ILE HG13 . 18753 1 259 . 1 1 24 24 ILE HG21 H 1 0.7630 0.01 . 1 . . . A 24 ILE HG21 . 18753 1 260 . 1 1 24 24 ILE HG22 H 1 0.7630 0.01 . 1 . . . A 24 ILE HG22 . 18753 1 261 . 1 1 24 24 ILE HG23 H 1 0.7630 0.01 . 1 . . . A 24 ILE HG23 . 18753 1 262 . 1 1 24 24 ILE HD11 H 1 0.8260 0.01 . 1 . . . A 24 ILE HD11 . 18753 1 263 . 1 1 24 24 ILE HD12 H 1 0.8260 0.01 . 1 . . . A 24 ILE HD12 . 18753 1 264 . 1 1 24 24 ILE HD13 H 1 0.8260 0.01 . 1 . . . A 24 ILE HD13 . 18753 1 265 . 1 1 24 24 ILE CA C 13 64.8960 0.1 . 1 . . . A 24 ILE CA . 18753 1 266 . 1 1 24 24 ILE CB C 13 38.3260 0.1 . 1 . . . A 24 ILE CB . 18753 1 267 . 1 1 24 24 ILE CG1 C 13 23.7970 0.1 . 1 . . . A 24 ILE CG1 . 18753 1 268 . 1 1 24 24 ILE CG2 C 13 19.6280 0.1 . 1 . . . A 24 ILE CG2 . 18753 1 269 . 1 1 24 24 ILE CD1 C 13 17.5440 0.1 . 1 . . . A 24 ILE CD1 . 18753 1 270 . 1 1 24 24 ILE N N 15 118.2200 0.2 . 1 . . . A 24 ILE N . 18753 1 271 . 1 1 25 25 LEU H H 1 8.0360 0.01 . 1 . . . A 25 LEU H . 18753 1 272 . 1 1 25 25 LEU HA H 1 4.1650 0.01 . 1 . . . A 25 LEU HA . 18753 1 273 . 1 1 25 25 LEU HB3 H 1 1.9000 0.01 . 2 . . . A 25 LEU HB3 . 18753 1 274 . 1 1 25 25 LEU HG H 1 1.5580 0.01 . 1 . . . A 25 LEU HG . 18753 1 275 . 1 1 25 25 LEU HD11 H 1 0.5480 0.01 . 2 . . . A 25 LEU HD11 . 18753 1 276 . 1 1 25 25 LEU HD12 H 1 0.5480 0.01 . 2 . . . A 25 LEU HD12 . 18753 1 277 . 1 1 25 25 LEU HD13 H 1 0.5480 0.01 . 2 . . . A 25 LEU HD13 . 18753 1 278 . 1 1 25 25 LEU HD21 H 1 0.8930 0.01 . 2 . . . A 25 LEU HD21 . 18753 1 279 . 1 1 25 25 LEU HD22 H 1 0.8930 0.01 . 2 . . . A 25 LEU HD22 . 18753 1 280 . 1 1 25 25 LEU HD23 H 1 0.8930 0.01 . 2 . . . A 25 LEU HD23 . 18753 1 281 . 1 1 25 25 LEU CA C 13 57.2640 0.1 . 1 . . . A 25 LEU CA . 18753 1 282 . 1 1 25 25 LEU CB C 13 38.1980 0.1 . 1 . . . A 25 LEU CB . 18753 1 283 . 1 1 25 25 LEU N N 15 119.9330 0.2 . 1 . . . A 25 LEU N . 18753 1 284 . 1 1 26 26 ILE HA H 1 4.8590 0.01 . 1 . . . A 26 ILE HA . 18753 1 285 . 1 1 26 26 ILE HB H 1 1.9440 0.01 . 1 . . . A 26 ILE HB . 18753 1 286 . 1 1 26 26 ILE HG12 H 1 1.4920 0.01 . 2 . . . A 26 ILE HG12 . 18753 1 287 . 1 1 26 26 ILE HG13 H 1 1.4060 0.01 . 2 . . . A 26 ILE HG13 . 18753 1 288 . 1 1 26 26 ILE HG21 H 1 1.2060 0.01 . 1 . . . A 26 ILE HG21 . 18753 1 289 . 1 1 26 26 ILE HG22 H 1 1.2060 0.01 . 1 . . . A 26 ILE HG22 . 18753 1 290 . 1 1 26 26 ILE HG23 H 1 1.2060 0.01 . 1 . . . A 26 ILE HG23 . 18753 1 291 . 1 1 26 26 ILE HD11 H 1 0.9200 0.01 . 1 . . . A 26 ILE HD11 . 18753 1 292 . 1 1 26 26 ILE HD12 H 1 0.9200 0.01 . 1 . . . A 26 ILE HD12 . 18753 1 293 . 1 1 26 26 ILE HD13 H 1 0.9200 0.01 . 1 . . . A 26 ILE HD13 . 18753 1 294 . 1 1 26 26 ILE C C 13 175.2430 0.1 . 1 . . . A 26 ILE C . 18753 1 295 . 1 1 26 26 ILE CA C 13 53.9020 0.1 . 1 . . . A 26 ILE CA . 18753 1 296 . 1 1 26 26 ILE CB C 13 39.3520 0.1 . 1 . . . A 26 ILE CB . 18753 1 297 . 1 1 26 26 ILE CG2 C 13 18.4730 0.1 . 1 . . . A 26 ILE CG2 . 18753 1 298 . 1 1 26 26 ILE CD1 C 13 16.4680 0.1 . 1 . . . A 26 ILE CD1 . 18753 1 299 . 1 1 27 27 ASN H H 1 8.2990 0.01 . 1 . . . A 27 ASN H . 18753 1 300 . 1 1 27 27 ASN HA H 1 4.6580 0.01 . 1 . . . A 27 ASN HA . 18753 1 301 . 1 1 27 27 ASN HB2 H 1 2.7670 0.01 . 2 . . . A 27 ASN HB2 . 18753 1 302 . 1 1 27 27 ASN HB3 H 1 2.6690 0.01 . 2 . . . A 27 ASN HB3 . 18753 1 303 . 1 1 27 27 ASN HD21 H 1 7.6400 0.01 . 2 . . . A 27 ASN HD21 . 18753 1 304 . 1 1 27 27 ASN HD22 H 1 6.9430 0.01 . 2 . . . A 27 ASN HD22 . 18753 1 305 . 1 1 27 27 ASN C C 13 176.8740 0.1 . 1 . . . A 27 ASN C . 18753 1 306 . 1 1 27 27 ASN CA C 13 54.4630 0.1 . 1 . . . A 27 ASN CA . 18753 1 307 . 1 1 27 27 ASN CB C 13 41.4740 0.1 . 1 . . . A 27 ASN CB . 18753 1 308 . 1 1 27 27 ASN N N 15 120.9110 0.2 . 1 . . . A 27 ASN N . 18753 1 309 . 1 1 27 27 ASN ND2 N 15 113.2240 0.2 . 1 . . . A 27 ASN ND2 . 18753 1 310 . 1 1 28 28 HIS H H 1 8.4120 0.01 . 1 . . . A 28 HIS H . 18753 1 311 . 1 1 28 28 HIS HA H 1 4.6630 0.01 . 1 . . . A 28 HIS HA . 18753 1 312 . 1 1 28 28 HIS HB3 H 1 3.0160 0.01 . 2 . . . A 28 HIS HB3 . 18753 1 313 . 1 1 28 28 HIS CA C 13 54.4080 0.1 . 1 . . . A 28 HIS CA . 18753 1 314 . 1 1 28 28 HIS N N 15 109.4730 0.2 . 1 . . . A 28 HIS N . 18753 1 315 . 1 1 30 30 TYR HA H 1 4.7620 0.01 . 1 . . . A 30 TYR HA . 18753 1 316 . 1 1 30 30 TYR HB2 H 1 3.0420 0.01 . 2 . . . A 30 TYR HB2 . 18753 1 317 . 1 1 30 30 TYR HB3 H 1 2.8930 0.01 . 2 . . . A 30 TYR HB3 . 18753 1 318 . 1 1 30 30 TYR HD1 H 1 6.8210 0.01 . 1 . . . A 30 TYR HD1 . 18753 1 319 . 1 1 30 30 TYR HE1 H 1 6.5670 0.01 . 3 . . . A 30 TYR HE1 . 18753 1 320 . 1 1 30 30 TYR C C 13 176.8130 0.1 . 1 . . . A 30 TYR C . 18753 1 321 . 1 1 30 30 TYR CA C 13 58.8480 0.1 . 1 . . . A 30 TYR CA . 18753 1 322 . 1 1 30 30 TYR CB C 13 39.2680 0.1 . 1 . . . A 30 TYR CB . 18753 1 323 . 1 1 30 30 TYR CD2 C 13 132.2660 0.1 . 3 . . . A 30 TYR CD2 . 18753 1 324 . 1 1 30 30 TYR CE2 C 13 117.9990 0.1 . 3 . . . A 30 TYR CE2 . 18753 1 325 . 1 1 31 31 ALA H H 1 7.9790 0.01 . 1 . . . A 31 ALA H . 18753 1 326 . 1 1 31 31 ALA HA H 1 3.6290 0.01 . 1 . . . A 31 ALA HA . 18753 1 327 . 1 1 31 31 ALA HB1 H 1 1.1360 0.01 . 1 . . . A 31 ALA HB1 . 18753 1 328 . 1 1 31 31 ALA HB2 H 1 1.1360 0.01 . 1 . . . A 31 ALA HB2 . 18753 1 329 . 1 1 31 31 ALA HB3 H 1 1.1360 0.01 . 1 . . . A 31 ALA HB3 . 18753 1 330 . 1 1 31 31 ALA C C 13 178.6310 0.1 . 1 . . . A 31 ALA C . 18753 1 331 . 1 1 31 31 ALA CA C 13 56.6010 0.1 . 1 . . . A 31 ALA CA . 18753 1 332 . 1 1 31 31 ALA CB C 13 18.1920 0.1 . 1 . . . A 31 ALA CB . 18753 1 333 . 1 1 31 31 ALA N N 15 121.6350 0.2 . 1 . . . A 31 ALA N . 18753 1 334 . 1 1 32 32 ILE H H 1 7.7750 0.01 . 1 . . . A 32 ILE H . 18753 1 335 . 1 1 32 32 ILE HA H 1 3.6260 0.01 . 1 . . . A 32 ILE HA . 18753 1 336 . 1 1 32 32 ILE HB H 1 1.9350 0.01 . 1 . . . A 32 ILE HB . 18753 1 337 . 1 1 32 32 ILE HG12 H 1 1.5140 0.01 . 2 . . . A 32 ILE HG12 . 18753 1 338 . 1 1 32 32 ILE HG13 H 1 1.1040 0.01 . 2 . . . A 32 ILE HG13 . 18753 1 339 . 1 1 32 32 ILE HG21 H 1 1.0020 0.01 . 1 . . . A 32 ILE HG21 . 18753 1 340 . 1 1 32 32 ILE HG22 H 1 1.0020 0.01 . 1 . . . A 32 ILE HG22 . 18753 1 341 . 1 1 32 32 ILE HG23 H 1 1.0020 0.01 . 1 . . . A 32 ILE HG23 . 18753 1 342 . 1 1 32 32 ILE HD11 H 1 0.7900 0.01 . 1 . . . A 32 ILE HD11 . 18753 1 343 . 1 1 32 32 ILE HD12 H 1 0.7900 0.01 . 1 . . . A 32 ILE HD12 . 18753 1 344 . 1 1 32 32 ILE HD13 H 1 0.7900 0.01 . 1 . . . A 32 ILE HD13 . 18753 1 345 . 1 1 32 32 ILE C C 13 177.6210 0.1 . 1 . . . A 32 ILE C . 18753 1 346 . 1 1 32 32 ILE CA C 13 64.8120 0.1 . 1 . . . A 32 ILE CA . 18753 1 347 . 1 1 32 32 ILE CB C 13 37.5190 0.1 . 1 . . . A 32 ILE CB . 18753 1 348 . 1 1 32 32 ILE CG1 C 13 30.1230 0.1 . 1 . . . A 32 ILE CG1 . 18753 1 349 . 1 1 32 32 ILE CG2 C 13 18.3970 0.1 . 1 . . . A 32 ILE CG2 . 18753 1 350 . 1 1 32 32 ILE CD1 C 13 13.7330 0.1 . 1 . . . A 32 ILE CD1 . 18753 1 351 . 1 1 32 32 ILE N N 15 114.5980 0.2 . 1 . . . A 32 ILE N . 18753 1 352 . 1 1 33 33 GLU H H 1 7.4290 0.01 . 1 . . . A 33 GLU H . 18753 1 353 . 1 1 33 33 GLU HA H 1 4.0560 0.01 . 1 . . . A 33 GLU HA . 18753 1 354 . 1 1 33 33 GLU HB3 H 1 1.8240 0.01 . 2 . . . A 33 GLU HB3 . 18753 1 355 . 1 1 33 33 GLU HG2 H 1 2.0470 0.01 . 2 . . . A 33 GLU HG2 . 18753 1 356 . 1 1 33 33 GLU HG3 H 1 2.1990 0.01 . 2 . . . A 33 GLU HG3 . 18753 1 357 . 1 1 33 33 GLU C C 13 179.2110 0.1 . 1 . . . A 33 GLU C . 18753 1 358 . 1 1 33 33 GLU CA C 13 59.0430 0.1 . 1 . . . A 33 GLU CA . 18753 1 359 . 1 1 33 33 GLU CB C 13 29.0220 0.1 . 1 . . . A 33 GLU CB . 18753 1 360 . 1 1 33 33 GLU CG C 13 36.3050 0.1 . 1 . . . A 33 GLU CG . 18753 1 361 . 1 1 33 33 GLU N N 15 121.9470 0.2 . 1 . . . A 33 GLU N . 18753 1 362 . 1 1 34 34 LEU H H 1 8.0230 0.01 . 1 . . . A 34 LEU H . 18753 1 363 . 1 1 34 34 LEU HA H 1 4.3530 0.01 . 1 . . . A 34 LEU HA . 18753 1 364 . 1 1 34 34 LEU HB3 H 1 2.1140 0.01 . 2 . . . A 34 LEU HB3 . 18753 1 365 . 1 1 34 34 LEU HG H 1 0.8560 0.01 . 1 . . . A 34 LEU HG . 18753 1 366 . 1 1 34 34 LEU HD11 H 1 0.9580 0.01 . 2 . . . A 34 LEU HD11 . 18753 1 367 . 1 1 34 34 LEU HD12 H 1 0.9580 0.01 . 2 . . . A 34 LEU HD12 . 18753 1 368 . 1 1 34 34 LEU HD13 H 1 0.9580 0.01 . 2 . . . A 34 LEU HD13 . 18753 1 369 . 1 1 34 34 LEU HD21 H 1 0.5930 0.01 . 2 . . . A 34 LEU HD21 . 18753 1 370 . 1 1 34 34 LEU HD22 H 1 0.5930 0.01 . 2 . . . A 34 LEU HD22 . 18753 1 371 . 1 1 34 34 LEU HD23 H 1 0.5930 0.01 . 2 . . . A 34 LEU HD23 . 18753 1 372 . 1 1 34 34 LEU CA C 13 58.1890 0.1 . 1 . . . A 34 LEU CA . 18753 1 373 . 1 1 34 34 LEU CB C 13 41.1230 0.1 . 1 . . . A 34 LEU CB . 18753 1 374 . 1 1 34 34 LEU N N 15 120.7350 0.2 . 1 . . . A 34 LEU N . 18753 1 375 . 1 1 35 35 LEU H H 1 7.8990 0.01 . 1 . . . A 35 LEU H . 18753 1 376 . 1 1 35 35 LEU HA H 1 3.9880 0.01 . 1 . . . A 35 LEU HA . 18753 1 377 . 1 1 35 35 LEU HB2 H 1 1.5080 0.01 . 2 . . . A 35 LEU HB2 . 18753 1 378 . 1 1 35 35 LEU HB3 H 1 1.9750 0.01 . 2 . . . A 35 LEU HB3 . 18753 1 379 . 1 1 35 35 LEU HG H 1 2.2630 0.01 . 1 . . . A 35 LEU HG . 18753 1 380 . 1 1 35 35 LEU HD11 H 1 0.1360 0.01 . 2 . . . A 35 LEU HD11 . 18753 1 381 . 1 1 35 35 LEU HD12 H 1 0.1360 0.01 . 2 . . . A 35 LEU HD12 . 18753 1 382 . 1 1 35 35 LEU HD13 H 1 0.1360 0.01 . 2 . . . A 35 LEU HD13 . 18753 1 383 . 1 1 35 35 LEU HD21 H 1 0.8970 0.01 . 2 . . . A 35 LEU HD21 . 18753 1 384 . 1 1 35 35 LEU HD22 H 1 0.8970 0.01 . 2 . . . A 35 LEU HD22 . 18753 1 385 . 1 1 35 35 LEU HD23 H 1 0.8970 0.01 . 2 . . . A 35 LEU HD23 . 18753 1 386 . 1 1 35 35 LEU C C 13 177.8820 0.1 . 1 . . . A 35 LEU C . 18753 1 387 . 1 1 35 35 LEU CA C 13 58.2910 0.1 . 1 . . . A 35 LEU CA . 18753 1 388 . 1 1 35 35 LEU CB C 13 42.9450 0.1 . 1 . . . A 35 LEU CB . 18753 1 389 . 1 1 35 35 LEU CG C 13 27.7900 0.1 . 1 . . . A 35 LEU CG . 18753 1 390 . 1 1 35 35 LEU CD1 C 13 26.1710 0.1 . 2 . . . A 35 LEU CD1 . 18753 1 391 . 1 1 35 35 LEU CD2 C 13 24.4220 0.1 . 2 . . . A 35 LEU CD2 . 18753 1 392 . 1 1 35 35 LEU N N 15 119.1280 0.2 . 1 . . . A 35 LEU N . 18753 1 393 . 1 1 36 36 SER H H 1 8.4090 0.01 . 1 . . . A 36 SER H . 18753 1 394 . 1 1 36 36 SER HA H 1 4.1350 0.01 . 1 . . . A 36 SER HA . 18753 1 395 . 1 1 36 36 SER HB3 H 1 3.6100 0.01 . 2 . . . A 36 SER HB3 . 18753 1 396 . 1 1 36 36 SER C C 13 177.8820 0.1 . 1 . . . A 36 SER C . 18753 1 397 . 1 1 36 36 SER CA C 13 61.6210 0.1 . 1 . . . A 36 SER CA . 18753 1 398 . 1 1 36 36 SER CB C 13 63.0410 0.1 . 1 . . . A 36 SER CB . 18753 1 399 . 1 1 36 36 SER N N 15 113.1510 0.2 . 1 . . . A 36 SER N . 18753 1 400 . 1 1 37 37 SER H H 1 8.0180 0.01 . 1 . . . A 37 SER H . 18753 1 401 . 1 1 37 37 SER HA H 1 4.3510 0.01 . 1 . . . A 37 SER HA . 18753 1 402 . 1 1 37 37 SER HB3 H 1 4.1550 0.01 . 2 . . . A 37 SER HB3 . 18753 1 403 . 1 1 37 37 SER C C 13 177.3830 0.1 . 1 . . . A 37 SER C . 18753 1 404 . 1 1 37 37 SER CA C 13 61.8890 0.1 . 1 . . . A 37 SER CA . 18753 1 405 . 1 1 37 37 SER CB C 13 63.0700 0.1 . 1 . . . A 37 SER CB . 18753 1 406 . 1 1 37 37 SER N N 15 117.1840 0.2 . 1 . . . A 37 SER N . 18753 1 407 . 1 1 38 38 GLU H H 1 7.8070 0.01 . 1 . . . A 38 GLU H . 18753 1 408 . 1 1 38 38 GLU HA H 1 4.2520 0.01 . 1 . . . A 38 GLU HA . 18753 1 409 . 1 1 38 38 GLU HB2 H 1 2.2120 0.01 . 2 . . . A 38 GLU HB2 . 18753 1 410 . 1 1 38 38 GLU HB3 H 1 2.3220 0.01 . 2 . . . A 38 GLU HB3 . 18753 1 411 . 1 1 38 38 GLU HG2 H 1 2.2740 0.01 . 2 . . . A 38 GLU HG2 . 18753 1 412 . 1 1 38 38 GLU HG3 H 1 2.2180 0.01 . 2 . . . A 38 GLU HG3 . 18753 1 413 . 1 1 38 38 GLU C C 13 175.8400 0.1 . 1 . . . A 38 GLU C . 18753 1 414 . 1 1 38 38 GLU CA C 13 59.7340 0.1 . 1 . . . A 38 GLU CA . 18753 1 415 . 1 1 38 38 GLU CB C 13 29.4380 0.1 . 1 . . . A 38 GLU CB . 18753 1 416 . 1 1 38 38 GLU CG C 13 34.3590 0.1 . 1 . . . A 38 GLU CG . 18753 1 417 . 1 1 38 38 GLU N N 15 123.3290 0.2 . 1 . . . A 38 GLU N . 18753 1 418 . 1 1 39 39 ILE H H 1 8.2430 0.01 . 1 . . . A 39 ILE H . 18753 1 419 . 1 1 39 39 ILE HA H 1 3.5970 0.01 . 1 . . . A 39 ILE HA . 18753 1 420 . 1 1 39 39 ILE HB H 1 1.7040 0.01 . 1 . . . A 39 ILE HB . 18753 1 421 . 1 1 39 39 ILE HG12 H 1 0.7250 0.01 . 2 . . . A 39 ILE HG12 . 18753 1 422 . 1 1 39 39 ILE HG13 H 1 0.8140 0.01 . 2 . . . A 39 ILE HG13 . 18753 1 423 . 1 1 39 39 ILE HG21 H 1 0.9730 0.01 . 1 . . . A 39 ILE HG21 . 18753 1 424 . 1 1 39 39 ILE HG22 H 1 0.9730 0.01 . 1 . . . A 39 ILE HG22 . 18753 1 425 . 1 1 39 39 ILE HG23 H 1 0.9730 0.01 . 1 . . . A 39 ILE HG23 . 18753 1 426 . 1 1 39 39 ILE HD11 H 1 0.5150 0.01 . 1 . . . A 39 ILE HD11 . 18753 1 427 . 1 1 39 39 ILE HD12 H 1 0.5150 0.01 . 1 . . . A 39 ILE HD12 . 18753 1 428 . 1 1 39 39 ILE HD13 H 1 0.5150 0.01 . 1 . . . A 39 ILE HD13 . 18753 1 429 . 1 1 39 39 ILE C C 13 178.5230 0.1 . 1 . . . A 39 ILE C . 18753 1 430 . 1 1 39 39 ILE CA C 13 66.4200 0.1 . 1 . . . A 39 ILE CA . 18753 1 431 . 1 1 39 39 ILE CB C 13 37.3950 0.1 . 1 . . . A 39 ILE CB . 18753 1 432 . 1 1 39 39 ILE CG1 C 13 31.2560 0.1 . 1 . . . A 39 ILE CG1 . 18753 1 433 . 1 1 39 39 ILE CG2 C 13 17.7250 0.1 . 1 . . . A 39 ILE CG2 . 18753 1 434 . 1 1 39 39 ILE CD1 C 13 14.2700 0.1 . 1 . . . A 39 ILE CD1 . 18753 1 435 . 1 1 39 39 ILE N N 15 118.1140 0.2 . 1 . . . A 39 ILE N . 18753 1 436 . 1 1 40 40 ASN H H 1 8.3240 0.01 . 1 . . . A 40 ASN H . 18753 1 437 . 1 1 40 40 ASN HA H 1 4.5210 0.01 . 1 . . . A 40 ASN HA . 18753 1 438 . 1 1 40 40 ASN HB2 H 1 3.2220 0.01 . 2 . . . A 40 ASN HB2 . 18753 1 439 . 1 1 40 40 ASN HB3 H 1 3.1430 0.01 . 2 . . . A 40 ASN HB3 . 18753 1 440 . 1 1 40 40 ASN HD21 H 1 7.8670 0.01 . 2 . . . A 40 ASN HD21 . 18753 1 441 . 1 1 40 40 ASN HD22 H 1 6.9380 0.01 . 2 . . . A 40 ASN HD22 . 18753 1 442 . 1 1 40 40 ASN C C 13 178.0240 0.1 . 1 . . . A 40 ASN C . 18753 1 443 . 1 1 40 40 ASN CA C 13 57.4350 0.1 . 1 . . . A 40 ASN CA . 18753 1 444 . 1 1 40 40 ASN CB C 13 39.2120 0.1 . 1 . . . A 40 ASN CB . 18753 1 445 . 1 1 40 40 ASN N N 15 118.6400 0.2 . 1 . . . A 40 ASN N . 18753 1 446 . 1 1 40 40 ASN ND2 N 15 113.9730 0.2 . 1 . . . A 40 ASN ND2 . 18753 1 447 . 1 1 41 41 ASP H H 1 8.4650 0.01 . 1 . . . A 41 ASP H . 18753 1 448 . 1 1 41 41 ASP HA H 1 4.4020 0.01 . 1 . . . A 41 ASP HA . 18753 1 449 . 1 1 41 41 ASP HB2 H 1 3.0960 0.01 . 2 . . . A 41 ASP HB2 . 18753 1 450 . 1 1 41 41 ASP HB3 H 1 3.0140 0.01 . 2 . . . A 41 ASP HB3 . 18753 1 451 . 1 1 41 41 ASP C C 13 178.4990 0.1 . 1 . . . A 41 ASP C . 18753 1 452 . 1 1 41 41 ASP CA C 13 57.6800 0.1 . 1 . . . A 41 ASP CA . 18753 1 453 . 1 1 41 41 ASP CB C 13 40.0180 0.1 . 1 . . . A 41 ASP CB . 18753 1 454 . 1 1 41 41 ASP N N 15 121.8950 0.2 . 1 . . . A 41 ASP N . 18753 1 455 . 1 1 42 42 ILE H H 1 8.0710 0.01 . 1 . . . A 42 ILE H . 18753 1 456 . 1 1 42 42 ILE HA H 1 4.2380 0.01 . 1 . . . A 42 ILE HA . 18753 1 457 . 1 1 42 42 ILE HB H 1 1.9930 0.01 . 1 . . . A 42 ILE HB . 18753 1 458 . 1 1 42 42 ILE HG13 H 1 1.6250 0.01 . 2 . . . A 42 ILE HG13 . 18753 1 459 . 1 1 42 42 ILE HG21 H 1 0.6070 0.01 . 1 . . . A 42 ILE HG21 . 18753 1 460 . 1 1 42 42 ILE HG22 H 1 0.6070 0.01 . 1 . . . A 42 ILE HG22 . 18753 1 461 . 1 1 42 42 ILE HG23 H 1 0.6070 0.01 . 1 . . . A 42 ILE HG23 . 18753 1 462 . 1 1 42 42 ILE HD11 H 1 0.7930 0.01 . 1 . . . A 42 ILE HD11 . 18753 1 463 . 1 1 42 42 ILE HD12 H 1 0.7930 0.01 . 1 . . . A 42 ILE HD12 . 18753 1 464 . 1 1 42 42 ILE HD13 H 1 0.7930 0.01 . 1 . . . A 42 ILE HD13 . 18753 1 465 . 1 1 42 42 ILE C C 13 180.1840 0.1 . 1 . . . A 42 ILE C . 18753 1 466 . 1 1 42 42 ILE CA C 13 64.0050 0.1 . 1 . . . A 42 ILE CA . 18753 1 467 . 1 1 42 42 ILE CB C 13 38.7220 0.1 . 1 . . . A 42 ILE CB . 18753 1 468 . 1 1 42 42 ILE CG1 C 13 29.5170 0.1 . 1 . . . A 42 ILE CG1 . 18753 1 469 . 1 1 42 42 ILE CG2 C 13 17.9790 0.1 . 1 . . . A 42 ILE CG2 . 18753 1 470 . 1 1 42 42 ILE CD1 C 13 17.9340 0.1 . 1 . . . A 42 ILE CD1 . 18753 1 471 . 1 1 42 42 ILE N N 15 122.0440 0.2 . 1 . . . A 42 ILE N . 18753 1 472 . 1 1 43 43 GLU H H 1 8.9410 0.01 . 1 . . . A 43 GLU H . 18753 1 473 . 1 1 43 43 GLU HA H 1 4.0030 0.01 . 1 . . . A 43 GLU HA . 18753 1 474 . 1 1 43 43 GLU HB2 H 1 2.2850 0.01 . 2 . . . A 43 GLU HB2 . 18753 1 475 . 1 1 43 43 GLU HB3 H 1 2.1140 0.01 . 2 . . . A 43 GLU HB3 . 18753 1 476 . 1 1 43 43 GLU HG2 H 1 2.3050 0.01 . 2 . . . A 43 GLU HG2 . 18753 1 477 . 1 1 43 43 GLU HG3 H 1 2.4350 0.01 . 2 . . . A 43 GLU HG3 . 18753 1 478 . 1 1 43 43 GLU C C 13 179.2110 0.1 . 1 . . . A 43 GLU C . 18753 1 479 . 1 1 43 43 GLU CA C 13 59.8530 0.1 . 1 . . . A 43 GLU CA . 18753 1 480 . 1 1 43 43 GLU CB C 13 29.6050 0.1 . 1 . . . A 43 GLU CB . 18753 1 481 . 1 1 43 43 GLU CG C 13 37.4520 0.1 . 1 . . . A 43 GLU CG . 18753 1 482 . 1 1 43 43 GLU N N 15 121.3120 0.2 . 1 . . . A 43 GLU N . 18753 1 483 . 1 1 44 44 THR H H 1 8.2590 0.01 . 1 . . . A 44 THR H . 18753 1 484 . 1 1 44 44 THR HA H 1 4.5110 0.01 . 1 . . . A 44 THR HA . 18753 1 485 . 1 1 44 44 THR HB H 1 4.3870 0.01 . 1 . . . A 44 THR HB . 18753 1 486 . 1 1 44 44 THR HG21 H 1 1.4270 0.01 . 1 . . . A 44 THR HG21 . 18753 1 487 . 1 1 44 44 THR HG22 H 1 1.4270 0.01 . 1 . . . A 44 THR HG22 . 18753 1 488 . 1 1 44 44 THR HG23 H 1 1.4270 0.01 . 1 . . . A 44 THR HG23 . 18753 1 489 . 1 1 44 44 THR C C 13 175.9110 0.1 . 1 . . . A 44 THR C . 18753 1 490 . 1 1 44 44 THR CA C 13 62.9390 0.1 . 1 . . . A 44 THR CA . 18753 1 491 . 1 1 44 44 THR CB C 13 70.5910 0.1 . 1 . . . A 44 THR CB . 18753 1 492 . 1 1 44 44 THR CG2 C 13 21.8230 0.1 . 1 . . . A 44 THR CG2 . 18753 1 493 . 1 1 44 44 THR N N 15 107.8810 0.2 . 1 . . . A 44 THR N . 18753 1 494 . 1 1 45 45 GLY H H 1 7.8280 0.01 . 1 . . . A 45 GLY H . 18753 1 495 . 1 1 45 45 GLY HA2 H 1 3.9400 0.01 . 2 . . . A 45 GLY HA2 . 18753 1 496 . 1 1 45 45 GLY HA3 H 1 4.2420 0.01 . 2 . . . A 45 GLY HA3 . 18753 1 497 . 1 1 45 45 GLY C C 13 174.7960 0.1 . 1 . . . A 45 GLY C . 18753 1 498 . 1 1 45 45 GLY CA C 13 45.8610 0.1 . 1 . . . A 45 GLY CA . 18753 1 499 . 1 1 45 45 GLY N N 15 109.6790 0.2 . 1 . . . A 45 GLY N . 18753 1 500 . 1 1 46 46 THR H H 1 8.2820 0.01 . 1 . . . A 46 THR H . 18753 1 501 . 1 1 46 46 THR HA H 1 4.2390 0.01 . 1 . . . A 46 THR HA . 18753 1 502 . 1 1 46 46 THR HB H 1 4.1350 0.01 . 1 . . . A 46 THR HB . 18753 1 503 . 1 1 46 46 THR HG21 H 1 1.1650 0.01 . 1 . . . A 46 THR HG21 . 18753 1 504 . 1 1 46 46 THR HG22 H 1 1.1650 0.01 . 1 . . . A 46 THR HG22 . 18753 1 505 . 1 1 46 46 THR HG23 H 1 1.1650 0.01 . 1 . . . A 46 THR HG23 . 18753 1 506 . 1 1 46 46 THR C C 13 174.0600 0.1 . 1 . . . A 46 THR C . 18753 1 507 . 1 1 46 46 THR CA C 13 64.7110 0.1 . 1 . . . A 46 THR CA . 18753 1 508 . 1 1 46 46 THR CB C 13 68.8410 0.1 . 1 . . . A 46 THR CB . 18753 1 509 . 1 1 46 46 THR CG2 C 13 22.1570 0.1 . 1 . . . A 46 THR CG2 . 18753 1 510 . 1 1 46 46 THR N N 15 116.4230 0.2 . 1 . . . A 46 THR N . 18753 1 511 . 1 1 47 47 LYS H H 1 7.4710 0.01 . 1 . . . A 47 LYS H . 18753 1 512 . 1 1 47 47 LYS HA H 1 4.5000 0.01 . 1 . . . A 47 LYS HA . 18753 1 513 . 1 1 47 47 LYS HB2 H 1 1.5010 0.01 . 2 . . . A 47 LYS HB2 . 18753 1 514 . 1 1 47 47 LYS HB3 H 1 1.5780 0.01 . 2 . . . A 47 LYS HB3 . 18753 1 515 . 1 1 47 47 LYS HG2 H 1 1.2360 0.01 . 2 . . . A 47 LYS HG2 . 18753 1 516 . 1 1 47 47 LYS HG3 H 1 1.2110 0.01 . 2 . . . A 47 LYS HG3 . 18753 1 517 . 1 1 47 47 LYS HD2 H 1 1.5910 0.01 . 2 . . . A 47 LYS HD2 . 18753 1 518 . 1 1 47 47 LYS HD3 H 1 1.6690 0.01 . 2 . . . A 47 LYS HD3 . 18753 1 519 . 1 1 47 47 LYS HE2 H 1 2.8800 0.01 . 2 . . . A 47 LYS HE2 . 18753 1 520 . 1 1 47 47 LYS HE3 H 1 2.8950 0.01 . 2 . . . A 47 LYS HE3 . 18753 1 521 . 1 1 47 47 LYS C C 13 173.9170 0.1 . 1 . . . A 47 LYS C . 18753 1 522 . 1 1 47 47 LYS CA C 13 55.0890 0.1 . 1 . . . A 47 LYS CA . 18753 1 523 . 1 1 47 47 LYS CB C 13 35.7690 0.1 . 1 . . . A 47 LYS CB . 18753 1 524 . 1 1 47 47 LYS CG C 13 25.2950 0.1 . 1 . . . A 47 LYS CG . 18753 1 525 . 1 1 47 47 LYS CD C 13 29.5880 0.1 . 1 . . . A 47 LYS CD . 18753 1 526 . 1 1 47 47 LYS CE C 13 42.1100 0.1 . 1 . . . A 47 LYS CE . 18753 1 527 . 1 1 47 47 LYS N N 15 119.7170 0.2 . 1 . . . A 47 LYS N . 18753 1 528 . 1 1 48 48 ASN H H 1 8.6090 0.01 . 1 . . . A 48 ASN H . 18753 1 529 . 1 1 48 48 ASN HA H 1 5.0040 0.01 . 1 . . . A 48 ASN HA . 18753 1 530 . 1 1 48 48 ASN HB2 H 1 2.7570 0.01 . 2 . . . A 48 ASN HB2 . 18753 1 531 . 1 1 48 48 ASN HB3 H 1 2.6540 0.01 . 2 . . . A 48 ASN HB3 . 18753 1 532 . 1 1 48 48 ASN HD21 H 1 7.5560 0.01 . 2 . . . A 48 ASN HD21 . 18753 1 533 . 1 1 48 48 ASN HD22 H 1 6.8640 0.01 . 2 . . . A 48 ASN HD22 . 18753 1 534 . 1 1 48 48 ASN C C 13 174.3680 0.1 . 1 . . . A 48 ASN C . 18753 1 535 . 1 1 48 48 ASN CA C 13 52.9330 0.1 . 1 . . . A 48 ASN CA . 18753 1 536 . 1 1 48 48 ASN CB C 13 40.1850 0.1 . 1 . . . A 48 ASN CB . 18753 1 537 . 1 1 48 48 ASN N N 15 121.2450 0.2 . 1 . . . A 48 ASN N . 18753 1 538 . 1 1 48 48 ASN ND2 N 15 112.8320 0.2 . 1 . . . A 48 ASN ND2 . 18753 1 539 . 1 1 49 49 VAL H H 1 8.1570 0.01 . 1 . . . A 49 VAL H . 18753 1 540 . 1 1 49 49 VAL HA H 1 4.5540 0.01 . 1 . . . A 49 VAL HA . 18753 1 541 . 1 1 49 49 VAL HB H 1 2.1100 0.01 . 1 . . . A 49 VAL HB . 18753 1 542 . 1 1 49 49 VAL HG11 H 1 0.9910 0.01 . 2 . . . A 49 VAL HG11 . 18753 1 543 . 1 1 49 49 VAL HG12 H 1 0.9910 0.01 . 2 . . . A 49 VAL HG12 . 18753 1 544 . 1 1 49 49 VAL HG13 H 1 0.9910 0.01 . 2 . . . A 49 VAL HG13 . 18753 1 545 . 1 1 49 49 VAL HG21 H 1 1.0290 0.01 . 2 . . . A 49 VAL HG21 . 18753 1 546 . 1 1 49 49 VAL HG22 H 1 1.0290 0.01 . 2 . . . A 49 VAL HG22 . 18753 1 547 . 1 1 49 49 VAL HG23 H 1 1.0290 0.01 . 2 . . . A 49 VAL HG23 . 18753 1 548 . 1 1 49 49 VAL C C 13 174.5110 0.1 . 1 . . . A 49 VAL C . 18753 1 549 . 1 1 49 49 VAL CA C 13 60.1340 0.1 . 1 . . . A 49 VAL CA . 18753 1 550 . 1 1 49 49 VAL CB C 13 35.8530 0.1 . 1 . . . A 49 VAL CB . 18753 1 551 . 1 1 49 49 VAL CG1 C 13 21.8910 0.1 . 2 . . . A 49 VAL CG1 . 18753 1 552 . 1 1 49 49 VAL CG2 C 13 20.3710 0.1 . 2 . . . A 49 VAL CG2 . 18753 1 553 . 1 1 49 49 VAL N N 15 118.9140 0.2 . 1 . . . A 49 VAL N . 18753 1 554 . 1 1 50 50 ASP H H 1 8.3450 0.01 . 1 . . . A 50 ASP H . 18753 1 555 . 1 1 50 50 ASP HA H 1 4.6750 0.01 . 1 . . . A 50 ASP HA . 18753 1 556 . 1 1 50 50 ASP HB2 H 1 2.7990 0.01 . 2 . . . A 50 ASP HB2 . 18753 1 557 . 1 1 50 50 ASP HB3 H 1 3.0200 0.01 . 2 . . . A 50 ASP HB3 . 18753 1 558 . 1 1 50 50 ASP C C 13 176.6950 0.1 . 1 . . . A 50 ASP C . 18753 1 559 . 1 1 50 50 ASP CA C 13 54.3100 0.1 . 1 . . . A 50 ASP CA . 18753 1 560 . 1 1 50 50 ASP CB C 13 42.0170 0.1 . 1 . . . A 50 ASP CB . 18753 1 561 . 1 1 50 50 ASP N N 15 121.9650 0.2 . 1 . . . A 50 ASP N . 18753 1 562 . 1 1 51 51 GLY H H 1 8.9240 0.01 . 1 . . . A 51 GLY H . 18753 1 563 . 1 1 51 51 GLY HA2 H 1 4.1430 0.01 . 2 . . . A 51 GLY HA2 . 18753 1 564 . 1 1 51 51 GLY HA3 H 1 4.2230 0.01 . 2 . . . A 51 GLY HA3 . 18753 1 565 . 1 1 51 51 GLY C C 13 176.7180 0.1 . 1 . . . A 51 GLY C . 18753 1 566 . 1 1 51 51 GLY CA C 13 47.9400 0.1 . 1 . . . A 51 GLY CA . 18753 1 567 . 1 1 51 51 GLY N N 15 109.0360 0.2 . 1 . . . A 51 GLY N . 18753 1 568 . 1 1 52 52 THR H H 1 8.4020 0.01 . 1 . . . A 52 THR H . 18753 1 569 . 1 1 52 52 THR HA H 1 4.4390 0.01 . 1 . . . A 52 THR HA . 18753 1 570 . 1 1 52 52 THR HB H 1 4.2530 0.01 . 1 . . . A 52 THR HB . 18753 1 571 . 1 1 52 52 THR HG21 H 1 1.3680 0.01 . 1 . . . A 52 THR HG21 . 18753 1 572 . 1 1 52 52 THR HG22 H 1 1.3680 0.01 . 1 . . . A 52 THR HG22 . 18753 1 573 . 1 1 52 52 THR HG23 H 1 1.3680 0.01 . 1 . . . A 52 THR HG23 . 18753 1 574 . 1 1 52 52 THR C C 13 176.5760 0.1 . 1 . . . A 52 THR C . 18753 1 575 . 1 1 52 52 THR CA C 13 66.3360 0.1 . 1 . . . A 52 THR CA . 18753 1 576 . 1 1 52 52 THR CB C 13 68.5080 0.1 . 1 . . . A 52 THR CB . 18753 1 577 . 1 1 52 52 THR CG2 C 13 22.4920 0.1 . 1 . . . A 52 THR CG2 . 18753 1 578 . 1 1 52 52 THR N N 15 118.0020 0.2 . 1 . . . A 52 THR N . 18753 1 579 . 1 1 53 53 THR H H 1 8.2790 0.01 . 1 . . . A 53 THR H . 18753 1 580 . 1 1 53 53 THR HA H 1 4.2340 0.01 . 1 . . . A 53 THR HA . 18753 1 581 . 1 1 53 53 THR HB H 1 3.8250 0.01 . 1 . . . A 53 THR HB . 18753 1 582 . 1 1 53 53 THR HG21 H 1 1.2310 0.01 . 1 . . . A 53 THR HG21 . 18753 1 583 . 1 1 53 53 THR HG22 H 1 1.2310 0.01 . 1 . . . A 53 THR HG22 . 18753 1 584 . 1 1 53 53 THR HG23 H 1 1.2310 0.01 . 1 . . . A 53 THR HG23 . 18753 1 585 . 1 1 53 53 THR C C 13 175.7210 0.1 . 1 . . . A 53 THR C . 18753 1 586 . 1 1 53 53 THR CB C 13 67.6550 0.1 . 1 . . . A 53 THR CB . 18753 1 587 . 1 1 53 53 THR CG2 C 13 21.9070 0.1 . 1 . . . A 53 THR CG2 . 18753 1 588 . 1 1 53 53 THR N N 15 121.7700 0.2 . 1 . . . A 53 THR N . 18753 1 589 . 1 1 54 54 TYR H H 1 8.3380 0.01 . 1 . . . A 54 TYR H . 18753 1 590 . 1 1 54 54 TYR HA H 1 3.9380 0.01 . 1 . . . A 54 TYR HA . 18753 1 591 . 1 1 54 54 TYR HB3 H 1 3.0450 0.01 . 2 . . . A 54 TYR HB3 . 18753 1 592 . 1 1 54 54 TYR HD2 H 1 6.9080 0.01 . 1 . . . A 54 TYR HD2 . 18753 1 593 . 1 1 54 54 TYR HE2 H 1 7.1110 0.01 . 3 . . . A 54 TYR HE2 . 18753 1 594 . 1 1 54 54 TYR CA C 13 61.9260 0.1 . 1 . . . A 54 TYR CA . 18753 1 595 . 1 1 54 54 TYR CB C 13 38.1980 0.1 . 1 . . . A 54 TYR CB . 18753 1 596 . 1 1 54 54 TYR CD1 C 13 129.0360 0.1 . 1 . . . A 54 TYR CD1 . 18753 1 597 . 1 1 54 54 TYR CE1 C 13 120.0070 0.1 . 1 . . . A 54 TYR CE1 . 18753 1 598 . 1 1 54 54 TYR N N 15 120.9960 0.2 . 1 . . . A 54 TYR N . 18753 1 599 . 1 1 55 55 LYS H H 1 8.0080 0.01 . 1 . . . A 55 LYS H . 18753 1 600 . 1 1 55 55 LYS HA H 1 3.9290 0.01 . 1 . . . A 55 LYS HA . 18753 1 601 . 1 1 55 55 LYS HB2 H 1 2.1040 0.01 . 2 . . . A 55 LYS HB2 . 18753 1 602 . 1 1 55 55 LYS HB3 H 1 1.9440 0.01 . 2 . . . A 55 LYS HB3 . 18753 1 603 . 1 1 55 55 LYS HG2 H 1 1.5240 0.01 . 2 . . . A 55 LYS HG2 . 18753 1 604 . 1 1 55 55 LYS HG3 H 1 1.4120 0.01 . 2 . . . A 55 LYS HG3 . 18753 1 605 . 1 1 55 55 LYS HD2 H 1 1.6870 0.01 . 2 . . . A 55 LYS HD2 . 18753 1 606 . 1 1 55 55 LYS HD3 H 1 1.7340 0.01 . 2 . . . A 55 LYS HD3 . 18753 1 607 . 1 1 55 55 LYS HE2 H 1 3.0330 0.01 . 2 . . . A 55 LYS HE2 . 18753 1 608 . 1 1 55 55 LYS HE3 H 1 2.9520 0.01 . 2 . . . A 55 LYS HE3 . 18753 1 609 . 1 1 55 55 LYS C C 13 179.8280 0.1 . 1 . . . A 55 LYS C . 18753 1 610 . 1 1 55 55 LYS CA C 13 59.5960 0.1 . 1 . . . A 55 LYS CA . 18753 1 611 . 1 1 55 55 LYS CB C 13 32.3120 0.1 . 1 . . . A 55 LYS CB . 18753 1 612 . 1 1 55 55 LYS CG C 13 25.5760 0.1 . 1 . . . A 55 LYS CG . 18753 1 613 . 1 1 55 55 LYS CD C 13 29.5250 0.1 . 1 . . . A 55 LYS CD . 18753 1 614 . 1 1 55 55 LYS CE C 13 42.2420 0.1 . 1 . . . A 55 LYS CE . 18753 1 615 . 1 1 55 55 LYS N N 15 117.0940 0.2 . 1 . . . A 55 LYS N . 18753 1 616 . 1 1 56 56 LYS H H 1 7.9730 0.01 . 1 . . . A 56 LYS H . 18753 1 617 . 1 1 56 56 LYS HA H 1 4.0870 0.01 . 1 . . . A 56 LYS HA . 18753 1 618 . 1 1 56 56 LYS HB2 H 1 2.0480 0.01 . 2 . . . A 56 LYS HB2 . 18753 1 619 . 1 1 56 56 LYS HB3 H 1 1.9410 0.01 . 2 . . . A 56 LYS HB3 . 18753 1 620 . 1 1 56 56 LYS HG2 H 1 1.5250 0.01 . 2 . . . A 56 LYS HG2 . 18753 1 621 . 1 1 56 56 LYS HG3 H 1 1.4120 0.01 . 2 . . . A 56 LYS HG3 . 18753 1 622 . 1 1 56 56 LYS HD2 H 1 1.7150 0.01 . 2 . . . A 56 LYS HD2 . 18753 1 623 . 1 1 56 56 LYS HD3 H 1 1.6840 0.01 . 2 . . . A 56 LYS HD3 . 18753 1 624 . 1 1 56 56 LYS HE3 H 1 3.0500 0.01 . 2 . . . A 56 LYS HE3 . 18753 1 625 . 1 1 56 56 LYS C C 13 179.4250 0.1 . 1 . . . A 56 LYS C . 18753 1 626 . 1 1 56 56 LYS CA C 13 59.9120 0.1 . 1 . . . A 56 LYS CA . 18753 1 627 . 1 1 56 56 LYS CB C 13 32.5490 0.1 . 1 . . . A 56 LYS CB . 18753 1 628 . 1 1 56 56 LYS CG C 13 26.0990 0.1 . 1 . . . A 56 LYS CG . 18753 1 629 . 1 1 56 56 LYS CD C 13 29.7570 0.1 . 1 . . . A 56 LYS CD . 18753 1 630 . 1 1 56 56 LYS CE C 13 42.4740 0.1 . 1 . . . A 56 LYS CE . 18753 1 631 . 1 1 56 56 LYS N N 15 120.0910 0.2 . 1 . . . A 56 LYS N . 18753 1 632 . 1 1 57 57 LEU H H 1 8.3510 0.01 . 1 . . . A 57 LEU H . 18753 1 633 . 1 1 57 57 LEU HA H 1 3.9340 0.01 . 1 . . . A 57 LEU HA . 18753 1 634 . 1 1 57 57 LEU HB2 H 1 1.9530 0.01 . 2 . . . A 57 LEU HB2 . 18753 1 635 . 1 1 57 57 LEU HB3 H 1 1.2490 0.01 . 2 . . . A 57 LEU HB3 . 18753 1 636 . 1 1 57 57 LEU HD11 H 1 0.8090 0.01 . 2 . . . A 57 LEU HD11 . 18753 1 637 . 1 1 57 57 LEU HD12 H 1 0.8090 0.01 . 2 . . . A 57 LEU HD12 . 18753 1 638 . 1 1 57 57 LEU HD13 H 1 0.8090 0.01 . 2 . . . A 57 LEU HD13 . 18753 1 639 . 1 1 57 57 LEU HD21 H 1 0.8430 0.01 . 2 . . . A 57 LEU HD21 . 18753 1 640 . 1 1 57 57 LEU HD22 H 1 0.8430 0.01 . 2 . . . A 57 LEU HD22 . 18753 1 641 . 1 1 57 57 LEU HD23 H 1 0.8430 0.01 . 2 . . . A 57 LEU HD23 . 18753 1 642 . 1 1 57 57 LEU C C 13 178.4510 0.1 . 1 . . . A 57 LEU C . 18753 1 643 . 1 1 57 57 LEU CA C 13 58.5330 0.1 . 1 . . . A 57 LEU CA . 18753 1 644 . 1 1 57 57 LEU CB C 13 40.2510 0.1 . 1 . . . A 57 LEU CB . 18753 1 645 . 1 1 57 57 LEU CG C 13 26.6010 0.1 . 1 . . . A 57 LEU CG . 18753 1 646 . 1 1 57 57 LEU CD1 C 13 25.1100 0.1 . 2 . . . A 57 LEU CD1 . 18753 1 647 . 1 1 57 57 LEU CD2 C 13 25.1100 0.1 . 2 . . . A 57 LEU CD2 . 18753 1 648 . 1 1 57 57 LEU N N 15 121.2200 0.2 . 1 . . . A 57 LEU N . 18753 1 649 . 1 1 58 58 VAL H H 1 8.1680 0.01 . 1 . . . A 58 VAL H . 18753 1 650 . 1 1 58 58 VAL HA H 1 3.6180 0.01 . 1 . . . A 58 VAL HA . 18753 1 651 . 1 1 58 58 VAL HB H 1 1.9560 0.01 . 1 . . . A 58 VAL HB . 18753 1 652 . 1 1 58 58 VAL HG11 H 1 0.9570 0.01 . 2 . . . A 58 VAL HG11 . 18753 1 653 . 1 1 58 58 VAL HG12 H 1 0.9570 0.01 . 2 . . . A 58 VAL HG12 . 18753 1 654 . 1 1 58 58 VAL HG13 H 1 0.9570 0.01 . 2 . . . A 58 VAL HG13 . 18753 1 655 . 1 1 58 58 VAL HG21 H 1 0.7340 0.01 . 2 . . . A 58 VAL HG21 . 18753 1 656 . 1 1 58 58 VAL HG22 H 1 0.7340 0.01 . 2 . . . A 58 VAL HG22 . 18753 1 657 . 1 1 58 58 VAL HG23 H 1 0.7340 0.01 . 2 . . . A 58 VAL HG23 . 18753 1 658 . 1 1 58 58 VAL C C 13 178.1430 0.1 . 1 . . . A 58 VAL C . 18753 1 659 . 1 1 58 58 VAL CA C 13 67.1750 0.1 . 1 . . . A 58 VAL CA . 18753 1 660 . 1 1 58 58 VAL CB C 13 31.6040 0.1 . 1 . . . A 58 VAL CB . 18753 1 661 . 1 1 58 58 VAL CG1 C 13 21.9760 0.1 . 2 . . . A 58 VAL CG1 . 18753 1 662 . 1 1 58 58 VAL CG2 C 13 22.3110 0.1 . 2 . . . A 58 VAL CG2 . 18753 1 663 . 1 1 58 58 VAL N N 15 119.5980 0.2 . 1 . . . A 58 VAL N . 18753 1 664 . 1 1 59 59 THR H H 1 8.0390 0.01 . 1 . . . A 59 THR H . 18753 1 665 . 1 1 59 59 THR HA H 1 4.3420 0.01 . 1 . . . A 59 THR HA . 18753 1 666 . 1 1 59 59 THR HB H 1 4.0810 0.01 . 1 . . . A 59 THR HB . 18753 1 667 . 1 1 59 59 THR HG21 H 1 1.3540 0.01 . 1 . . . A 59 THR HG21 . 18753 1 668 . 1 1 59 59 THR HG22 H 1 1.3540 0.01 . 1 . . . A 59 THR HG22 . 18753 1 669 . 1 1 59 59 THR HG23 H 1 1.3540 0.01 . 1 . . . A 59 THR HG23 . 18753 1 670 . 1 1 59 59 THR C C 13 176.9080 0.1 . 1 . . . A 59 THR C . 18753 1 671 . 1 1 59 59 THR CA C 13 67.0890 0.1 . 1 . . . A 59 THR CA . 18753 1 672 . 1 1 59 59 THR CB C 13 69.0080 0.1 . 1 . . . A 59 THR CB . 18753 1 673 . 1 1 59 59 THR CG2 C 13 21.9900 0.1 . 1 . . . A 59 THR CG2 . 18753 1 674 . 1 1 59 59 THR N N 15 116.1090 0.2 . 1 . . . A 59 THR N . 18753 1 675 . 1 1 60 60 LEU H H 1 7.9830 0.01 . 1 . . . A 60 LEU H . 18753 1 676 . 1 1 60 60 LEU HA H 1 4.1970 0.01 . 1 . . . A 60 LEU HA . 18753 1 677 . 1 1 60 60 LEU HB2 H 1 1.8660 0.01 . 2 . . . A 60 LEU HB2 . 18753 1 678 . 1 1 60 60 LEU HB3 H 1 1.9640 0.01 . 2 . . . A 60 LEU HB3 . 18753 1 679 . 1 1 60 60 LEU HG H 1 1.1370 0.01 . 1 . . . A 60 LEU HG . 18753 1 680 . 1 1 60 60 LEU HD11 H 1 0.9780 0.01 . 2 . . . A 60 LEU HD11 . 18753 1 681 . 1 1 60 60 LEU HD12 H 1 0.9780 0.01 . 2 . . . A 60 LEU HD12 . 18753 1 682 . 1 1 60 60 LEU HD13 H 1 0.9780 0.01 . 2 . . . A 60 LEU HD13 . 18753 1 683 . 1 1 60 60 LEU HD21 H 1 1.0400 0.01 . 2 . . . A 60 LEU HD21 . 18753 1 684 . 1 1 60 60 LEU HD22 H 1 1.0400 0.01 . 2 . . . A 60 LEU HD22 . 18753 1 685 . 1 1 60 60 LEU HD23 H 1 1.0400 0.01 . 2 . . . A 60 LEU HD23 . 18753 1 686 . 1 1 60 60 LEU C C 13 177.7390 0.1 . 1 . . . A 60 LEU C . 18753 1 687 . 1 1 60 60 LEU CA C 13 58.4950 0.1 . 1 . . . A 60 LEU CA . 18753 1 688 . 1 1 60 60 LEU CB C 13 42.3830 0.1 . 1 . . . A 60 LEU CB . 18753 1 689 . 1 1 60 60 LEU CG C 13 27.3700 0.1 . 1 . . . A 60 LEU CG . 18753 1 690 . 1 1 60 60 LEU CD1 C 13 25.9640 0.1 . 2 . . . A 60 LEU CD1 . 18753 1 691 . 1 1 60 60 LEU CD2 C 13 24.9810 0.1 . 2 . . . A 60 LEU CD2 . 18753 1 692 . 1 1 60 60 LEU N N 15 123.2500 0.2 . 1 . . . A 60 LEU N . 18753 1 693 . 1 1 61 61 TYR H H 1 8.7150 0.01 . 1 . . . A 61 TYR H . 18753 1 694 . 1 1 61 61 TYR HA H 1 4.2850 0.01 . 1 . . . A 61 TYR HA . 18753 1 695 . 1 1 61 61 TYR HB2 H 1 2.9990 0.01 . 2 . . . A 61 TYR HB2 . 18753 1 696 . 1 1 61 61 TYR HB3 H 1 3.2890 0.01 . 2 . . . A 61 TYR HB3 . 18753 1 697 . 1 1 61 61 TYR HD2 H 1 7.0300 0.01 . 3 . . . A 61 TYR HD2 . 18753 1 698 . 1 1 61 61 TYR HE2 H 1 6.8300 0.01 . 3 . . . A 61 TYR HE2 . 18753 1 699 . 1 1 61 61 TYR C C 13 177.4780 0.1 . 1 . . . A 61 TYR C . 18753 1 700 . 1 1 61 61 TYR CA C 13 61.4290 0.1 . 1 . . . A 61 TYR CA . 18753 1 701 . 1 1 61 61 TYR CB C 13 38.6850 0.1 . 1 . . . A 61 TYR CB . 18753 1 702 . 1 1 61 61 TYR CD1 C 13 130.7120 0.1 . 3 . . . A 61 TYR CD1 . 18753 1 703 . 1 1 61 61 TYR CE1 C 13 118.4530 0.1 . 3 . . . A 61 TYR CE1 . 18753 1 704 . 1 1 61 61 TYR N N 15 120.3390 0.2 . 1 . . . A 61 TYR N . 18753 1 705 . 1 1 62 62 ASP H H 1 8.5090 0.01 . 1 . . . A 62 ASP H . 18753 1 706 . 1 1 62 62 ASP HA H 1 4.2410 0.01 . 1 . . . A 62 ASP HA . 18753 1 707 . 1 1 62 62 ASP HB2 H 1 2.9050 0.01 . 2 . . . A 62 ASP HB2 . 18753 1 708 . 1 1 62 62 ASP HB3 H 1 2.7250 0.01 . 2 . . . A 62 ASP HB3 . 18753 1 709 . 1 1 62 62 ASP C C 13 178.4280 0.1 . 1 . . . A 62 ASP C . 18753 1 710 . 1 1 62 62 ASP CA C 13 57.5630 0.1 . 1 . . . A 62 ASP CA . 18753 1 711 . 1 1 62 62 ASP CB C 13 40.1850 0.1 . 1 . . . A 62 ASP CB . 18753 1 712 . 1 1 62 62 ASP N N 15 119.0580 0.2 . 1 . . . A 62 ASP N . 18753 1 713 . 1 1 63 63 ARG H H 1 7.9030 0.01 . 1 . . . A 63 ARG H . 18753 1 714 . 1 1 63 63 ARG HA H 1 4.1010 0.01 . 1 . . . A 63 ARG HA . 18753 1 715 . 1 1 63 63 ARG HB2 H 1 1.9850 0.01 . 2 . . . A 63 ARG HB2 . 18753 1 716 . 1 1 63 63 ARG HB3 H 1 1.8180 0.01 . 2 . . . A 63 ARG HB3 . 18753 1 717 . 1 1 63 63 ARG HG2 H 1 1.6240 0.01 . 2 . . . A 63 ARG HG2 . 18753 1 718 . 1 1 63 63 ARG HG3 H 1 1.6740 0.01 . 2 . . . A 63 ARG HG3 . 18753 1 719 . 1 1 63 63 ARG HD2 H 1 3.1410 0.01 . 2 . . . A 63 ARG HD2 . 18753 1 720 . 1 1 63 63 ARG HD3 H 1 3.0500 0.01 . 2 . . . A 63 ARG HD3 . 18753 1 721 . 1 1 63 63 ARG C C 13 178.4280 0.1 . 1 . . . A 63 ARG C . 18753 1 722 . 1 1 63 63 ARG CA C 13 59.4720 0.1 . 1 . . . A 63 ARG CA . 18753 1 723 . 1 1 63 63 ARG CB C 13 29.8550 0.1 . 1 . . . A 63 ARG CB . 18753 1 724 . 1 1 63 63 ARG CG C 13 27.6380 0.1 . 1 . . . A 63 ARG CG . 18753 1 725 . 1 1 63 63 ARG CD C 13 44.1790 0.1 . 1 . . . A 63 ARG CD . 18753 1 726 . 1 1 63 63 ARG N N 15 119.4990 0.2 . 1 . . . A 63 ARG N . 18753 1 727 . 1 1 64 64 PHE H H 1 8.0260 0.01 . 1 . . . A 64 PHE H . 18753 1 728 . 1 1 64 64 PHE HA H 1 4.3860 0.01 . 1 . . . A 64 PHE HA . 18753 1 729 . 1 1 64 64 PHE HB2 H 1 3.1030 0.01 . 2 . . . A 64 PHE HB2 . 18753 1 730 . 1 1 64 64 PHE HB3 H 1 2.9590 0.01 . 2 . . . A 64 PHE HB3 . 18753 1 731 . 1 1 64 64 PHE HD2 H 1 7.3870 0.01 . 3 . . . A 64 PHE HD2 . 18753 1 732 . 1 1 64 64 PHE HE2 H 1 7.1870 0.01 . 3 . . . A 64 PHE HE2 . 18753 1 733 . 1 1 64 64 PHE C C 13 177.3360 0.1 . 1 . . . A 64 PHE C . 18753 1 734 . 1 1 64 64 PHE CA C 13 60.5170 0.1 . 1 . . . A 64 PHE CA . 18753 1 735 . 1 1 64 64 PHE CB C 13 39.7680 0.1 . 1 . . . A 64 PHE CB . 18753 1 736 . 1 1 64 64 PHE CD1 C 13 131.9700 0.1 . 3 . . . A 64 PHE CD1 . 18753 1 737 . 1 1 64 64 PHE CE1 C 13 130.9700 0.1 . 3 . . . A 64 PHE CE1 . 18753 1 738 . 1 1 64 64 PHE N N 15 116.5390 0.2 . 1 . . . A 64 PHE N . 18753 1 739 . 1 1 65 65 ARG H H 1 7.8810 0.01 . 1 . . . A 65 ARG H . 18753 1 740 . 1 1 65 65 ARG HA H 1 4.0820 0.01 . 1 . . . A 65 ARG HA . 18753 1 741 . 1 1 65 65 ARG HB2 H 1 1.4340 0.01 . 2 . . . A 65 ARG HB2 . 18753 1 742 . 1 1 65 65 ARG HB3 H 1 1.2590 0.01 . 2 . . . A 65 ARG HB3 . 18753 1 743 . 1 1 65 65 ARG HG2 H 1 1.1790 0.01 . 2 . . . A 65 ARG HG2 . 18753 1 744 . 1 1 65 65 ARG HG3 H 1 1.6100 0.01 . 2 . . . A 65 ARG HG3 . 18753 1 745 . 1 1 65 65 ARG HD2 H 1 2.8150 0.01 . 2 . . . A 65 ARG HD2 . 18753 1 746 . 1 1 65 65 ARG HD3 H 1 2.6510 0.01 . 2 . . . A 65 ARG HD3 . 18753 1 747 . 1 1 65 65 ARG C C 13 176.7420 0.1 . 1 . . . A 65 ARG C . 18753 1 748 . 1 1 65 65 ARG CA C 13 57.8450 0.1 . 1 . . . A 65 ARG CA . 18753 1 749 . 1 1 65 65 ARG CB C 13 30.4380 0.1 . 1 . . . A 65 ARG CB . 18753 1 750 . 1 1 65 65 ARG CG C 13 26.7880 0.1 . 1 . . . A 65 ARG CG . 18753 1 751 . 1 1 65 65 ARG CD C 13 43.7280 0.1 . 1 . . . A 65 ARG CD . 18753 1 752 . 1 1 65 65 ARG N N 15 118.0540 0.2 . 1 . . . A 65 ARG N . 18753 1 753 . 1 1 66 66 PHE H H 1 8.0360 0.01 . 1 . . . A 66 PHE H . 18753 1 754 . 1 1 66 66 PHE HA H 1 4.8140 0.01 . 1 . . . A 66 PHE HA . 18753 1 755 . 1 1 66 66 PHE HB2 H 1 3.2830 0.01 . 2 . . . A 66 PHE HB2 . 18753 1 756 . 1 1 66 66 PHE HB3 H 1 3.0230 0.01 . 2 . . . A 66 PHE HB3 . 18753 1 757 . 1 1 66 66 PHE HD2 H 1 7.3090 0.01 . 3 . . . A 66 PHE HD2 . 18753 1 758 . 1 1 66 66 PHE HE2 H 1 7.1110 0.01 . 3 . . . A 66 PHE HE2 . 18753 1 759 . 1 1 66 66 PHE C C 13 175.7930 0.1 . 1 . . . A 66 PHE C . 18753 1 760 . 1 1 66 66 PHE CA C 13 57.2940 0.1 . 1 . . . A 66 PHE CA . 18753 1 761 . 1 1 66 66 PHE CB C 13 39.6010 0.1 . 1 . . . A 66 PHE CB . 18753 1 762 . 1 1 66 66 PHE CD1 C 13 131.9700 0.1 . 3 . . . A 66 PHE CD1 . 18753 1 763 . 1 1 66 66 PHE CE1 C 13 132.9700 0.1 . 3 . . . A 66 PHE CE1 . 18753 1 764 . 1 1 66 66 PHE N N 15 118.5760 0.2 . 1 . . . A 66 PHE N . 18753 1 765 . 1 1 67 67 GLU H H 1 8.1020 0.01 . 1 . . . A 67 GLU H . 18753 1 766 . 1 1 67 67 GLU HA H 1 4.3310 0.01 . 1 . . . A 67 GLU HA . 18753 1 767 . 1 1 67 67 GLU HB2 H 1 2.1150 0.01 . 2 . . . A 67 GLU HB2 . 18753 1 768 . 1 1 67 67 GLU HB3 H 1 2.0140 0.01 . 2 . . . A 67 GLU HB3 . 18753 1 769 . 1 1 67 67 GLU HG2 H 1 2.2960 0.01 . 2 . . . A 67 GLU HG2 . 18753 1 770 . 1 1 67 67 GLU HG3 H 1 2.2630 0.01 . 2 . . . A 67 GLU HG3 . 18753 1 771 . 1 1 67 67 GLU C C 13 175.1990 0.1 . 1 . . . A 67 GLU C . 18753 1 772 . 1 1 67 67 GLU CA C 13 56.9060 0.1 . 1 . . . A 67 GLU CA . 18753 1 773 . 1 1 67 67 GLU CB C 13 30.2710 0.1 . 1 . . . A 67 GLU CB . 18753 1 774 . 1 1 67 67 GLU CG C 13 36.7830 0.1 . 1 . . . A 67 GLU CG . 18753 1 775 . 1 1 67 67 GLU N N 15 121.3440 0.2 . 1 . . . A 67 GLU N . 18753 1 776 . 1 1 68 68 ASN H H 1 7.9910 0.01 . 1 . . . A 68 ASN H . 18753 1 777 . 1 1 68 68 ASN HA H 1 4.5060 0.01 . 1 . . . A 68 ASN HA . 18753 1 778 . 1 1 68 68 ASN HB2 H 1 2.7690 0.01 . 2 . . . A 68 ASN HB2 . 18753 1 779 . 1 1 68 68 ASN HB3 H 1 2.6870 0.01 . 2 . . . A 68 ASN HB3 . 18753 1 780 . 1 1 68 68 ASN HD21 H 1 7.5110 0.01 . 2 . . . A 68 ASN HD21 . 18753 1 781 . 1 1 68 68 ASN HD22 H 1 6.8030 0.01 . 2 . . . A 68 ASN HD22 . 18753 1 782 . 1 1 68 68 ASN CA C 13 55.0090 0.1 . 1 . . . A 68 ASN CA . 18753 1 783 . 1 1 68 68 ASN CB C 13 40.7160 0.1 . 1 . . . A 68 ASN CB . 18753 1 784 . 1 1 68 68 ASN N N 15 124.9700 0.2 . 1 . . . A 68 ASN N . 18753 1 785 . 1 1 68 68 ASN ND2 N 15 112.6790 0.2 . 1 . . . A 68 ASN ND2 . 18753 1 stop_ save_