data_18352 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18352 _Entry.Title ; Solution NMR Structure of CASP8-associated protein 2 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8150A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-27 _Entry.Accession_date 2012-03-27 _Entry.Last_release_date 2012-04-30 _Entry.Original_release_date 2012-04-30 _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 NMR' _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 'Surya V.S.R.K' Pulavarti . . . 18352 2 Bharathwaj Sathyamoorthy . . . 18352 3 Alex Eletsky . . . 18352 4 Dinesh Sukumaran . K. . 18352 5 Dan Lee . . . 18352 6 Eitan Kohan . . . 18352 7 Haleema Janjua . . . 18352 8 Rong Xiao . . . 18352 9 Thomas Acton . B. . 18352 10 John Everett . K. . 18352 11 Guy Montelione . . . 18352 12 Thomas Szyperski . . . 18352 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'Northeast Structural Genomics Consortium' . 18352 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 18352 'Protein NMR' . 18352 'Structural Genomics' . 18352 'Target HR8150A' . 18352 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18352 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 308 18352 '15N chemical shifts' 70 18352 '1H chemical shifts' 505 18352 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 . . 2012-04-30 2012-03-27 original author . 18352 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LR8 'BMRB Entry Tracking System' 18352 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18352 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR Structure of CASP8-associated protein 2 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8150A' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _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 'Surya V.S.R.K' Pulavarti . . . 18352 1 2 Bharathwaj Sathyamoorthy . . . 18352 1 3 Alex Eletsky . . . 18352 1 4 Dinesh Sukumaran . K. . 18352 1 5 Dan Lee . . . 18352 1 6 Eitan Kohan . . . 18352 1 7 Haleema Janjua . . . 18352 1 8 Rong Xiao . . . 18352 1 9 Thomas Acton . B. . 18352 1 10 John Everett . K. . 18352 1 11 Guy Montelione . . . 18352 1 12 Thomas Szyperski . . . 18352 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18352 _Assembly.ID 1 _Assembly.Name HR8150A _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HR8150A 1 $HR8150A A . yes native no no . . . 18352 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HR8150A _Entity.Sf_category entity _Entity.Sf_framecode HR8150A _Entity.Entry_ID 18352 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HR8150A _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SHMKNVIKKKGEIIILWTRN DDRVILLECQKRGPSSKTFA YLAAKLDKNPNQVSERFQQL MKLFEKSKCR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8267.851 _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 2LR8 . "Solution Nmr Structure Of Casp8-Associated Protein 2 From Homo Sapiens, Northeast Structural Genomics Consortium (Nesg) Target " . . . . . 100.00 70 100.00 100.00 6.00e-43 . . . . 18352 1 2 no DBJ BAA92067 . "unnamed protein product [Homo sapiens]" . . . . . 95.71 454 97.01 97.01 6.00e-36 . . . . 18352 1 3 no DBJ BAA92553 . "KIAA1315 protein [Homo sapiens]" . . . . . 95.71 1981 97.01 97.01 1.29e-34 . . . . 18352 1 4 no DBJ BAG10450 . "CASP8-associated protein 2 [synthetic construct]" . . . . . 95.71 1981 97.01 97.01 1.29e-34 . . . . 18352 1 5 no GB AAD45157 . "FLASH [Homo sapiens]" . . . . . 95.71 1269 97.01 97.01 1.11e-34 . . . . 18352 1 6 no GB AAD45537 . "FLASH homolog RIP25 [Homo sapiens]" . . . . . 95.71 1982 97.01 97.01 1.21e-34 . . . . 18352 1 7 no GB AAF03367 . "FLASH [Homo sapiens]" . . . . . 95.71 1982 97.01 97.01 1.29e-34 . . . . 18352 1 8 no GB AAH42577 . "CASP8AP2 protein, partial [Homo sapiens]" . . . . . 95.71 368 97.01 97.01 3.36e-36 . . . . 18352 1 9 no GB AAI32829 . "Caspase 8 associated protein 2 [Homo sapiens]" . . . . . 95.71 1982 97.01 97.01 1.29e-34 . . . . 18352 1 10 no REF NP_001131139 . "CASP8-associated protein 2 [Homo sapiens]" . . . . . 95.71 1982 97.01 97.01 1.29e-34 . . . . 18352 1 11 no REF NP_001131140 . "CASP8-associated protein 2 [Homo sapiens]" . . . . . 95.71 1982 97.01 97.01 1.29e-34 . . . . 18352 1 12 no REF NP_036247 . "CASP8-associated protein 2 [Homo sapiens]" . . . . . 95.71 1982 97.01 97.01 1.29e-34 . . . . 18352 1 13 no REF XP_001159871 . "PREDICTED: CASP8-associated protein 2 [Pan troglodytes]" . . . . . 95.71 1982 97.01 97.01 1.23e-34 . . . . 18352 1 14 no REF XP_001159913 . "PREDICTED: CASP8-associated protein 2 [Pan troglodytes]" . . . . . 95.71 1982 97.01 97.01 1.23e-34 . . . . 18352 1 15 no SP Q9UKL3 . "RecName: Full=CASP8-associated protein 2; AltName: Full=FLICE-associated huge protein" . . . . . 95.71 1982 97.01 97.01 1.29e-34 . . . . 18352 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 . SER . 18352 1 2 . HIS . 18352 1 3 . MET . 18352 1 4 . LYS . 18352 1 5 . ASN . 18352 1 6 . VAL . 18352 1 7 . ILE . 18352 1 8 . LYS . 18352 1 9 . LYS . 18352 1 10 . LYS . 18352 1 11 . GLY . 18352 1 12 . GLU . 18352 1 13 . ILE . 18352 1 14 . ILE . 18352 1 15 . ILE . 18352 1 16 . LEU . 18352 1 17 . TRP . 18352 1 18 . THR . 18352 1 19 . ARG . 18352 1 20 . ASN . 18352 1 21 . ASP . 18352 1 22 . ASP . 18352 1 23 . ARG . 18352 1 24 . VAL . 18352 1 25 . ILE . 18352 1 26 . LEU . 18352 1 27 . LEU . 18352 1 28 . GLU . 18352 1 29 . CYS . 18352 1 30 . GLN . 18352 1 31 . LYS . 18352 1 32 . ARG . 18352 1 33 . GLY . 18352 1 34 . PRO . 18352 1 35 . SER . 18352 1 36 . SER . 18352 1 37 . LYS . 18352 1 38 . THR . 18352 1 39 . PHE . 18352 1 40 . ALA . 18352 1 41 . TYR . 18352 1 42 . LEU . 18352 1 43 . ALA . 18352 1 44 . ALA . 18352 1 45 . LYS . 18352 1 46 . LEU . 18352 1 47 . ASP . 18352 1 48 . LYS . 18352 1 49 . ASN . 18352 1 50 . PRO . 18352 1 51 . ASN . 18352 1 52 . GLN . 18352 1 53 . VAL . 18352 1 54 . SER . 18352 1 55 . GLU . 18352 1 56 . ARG . 18352 1 57 . PHE . 18352 1 58 . GLN . 18352 1 59 . GLN . 18352 1 60 . LEU . 18352 1 61 . MET . 18352 1 62 . LYS . 18352 1 63 . LEU . 18352 1 64 . PHE . 18352 1 65 . GLU . 18352 1 66 . LYS . 18352 1 67 . SER . 18352 1 68 . LYS . 18352 1 69 . CYS . 18352 1 70 . ARG . 18352 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 . SER 1 1 18352 1 . HIS 2 2 18352 1 . MET 3 3 18352 1 . LYS 4 4 18352 1 . ASN 5 5 18352 1 . VAL 6 6 18352 1 . ILE 7 7 18352 1 . LYS 8 8 18352 1 . LYS 9 9 18352 1 . LYS 10 10 18352 1 . GLY 11 11 18352 1 . GLU 12 12 18352 1 . ILE 13 13 18352 1 . ILE 14 14 18352 1 . ILE 15 15 18352 1 . LEU 16 16 18352 1 . TRP 17 17 18352 1 . THR 18 18 18352 1 . ARG 19 19 18352 1 . ASN 20 20 18352 1 . ASP 21 21 18352 1 . ASP 22 22 18352 1 . ARG 23 23 18352 1 . VAL 24 24 18352 1 . ILE 25 25 18352 1 . LEU 26 26 18352 1 . LEU 27 27 18352 1 . GLU 28 28 18352 1 . CYS 29 29 18352 1 . GLN 30 30 18352 1 . LYS 31 31 18352 1 . ARG 32 32 18352 1 . GLY 33 33 18352 1 . PRO 34 34 18352 1 . SER 35 35 18352 1 . SER 36 36 18352 1 . LYS 37 37 18352 1 . THR 38 38 18352 1 . PHE 39 39 18352 1 . ALA 40 40 18352 1 . TYR 41 41 18352 1 . LEU 42 42 18352 1 . ALA 43 43 18352 1 . ALA 44 44 18352 1 . LYS 45 45 18352 1 . LEU 46 46 18352 1 . ASP 47 47 18352 1 . LYS 48 48 18352 1 . ASN 49 49 18352 1 . PRO 50 50 18352 1 . ASN 51 51 18352 1 . GLN 52 52 18352 1 . VAL 53 53 18352 1 . SER 54 54 18352 1 . GLU 55 55 18352 1 . ARG 56 56 18352 1 . PHE 57 57 18352 1 . GLN 58 58 18352 1 . GLN 59 59 18352 1 . LEU 60 60 18352 1 . MET 61 61 18352 1 . LYS 62 62 18352 1 . LEU 63 63 18352 1 . PHE 64 64 18352 1 . GLU 65 65 18352 1 . LYS 66 66 18352 1 . SER 67 67 18352 1 . LYS 68 68 18352 1 . CYS 69 69 18352 1 . ARG 70 70 18352 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 18352 _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 $HR8150A . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . CASP8AP2 . . . . 18352 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 18352 _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 $HR8150A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . . . . . . . . . . . pET15Avi6HT_NESG . . . . . . 18352 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18352 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.75 mM HR8150A.006, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HR8150A.006 '[U-100% 13C; U-100% 15N]' . . 1 $HR8150A . . 0.75 . . mM . . . . 18352 1 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18352 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18352 1 4 CaCL2 'natural abundance' . . . . . . 5 . . mM . . . . 18352 1 5 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 18352 1 6 'Proteinase Inhibitors' 'natural abundance' . . . . . . 1 . . x . . . . 18352 1 7 'MES pH 6.5' 'natural abundance' . . . . . . 20 . . mM . . . . 18352 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18352 1 9 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 18352 1 10 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18352 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18352 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.17 mM HR8150A.008, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HR8150A.006 '[U-5% 13C; U-100% 15N]' . . 1 $HR8150A . . 0.17 . . mM . . . . 18352 2 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18352 2 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18352 2 4 CaCL2 'natural abundance' . . . . . . 5 . . mM . . . . 18352 2 5 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 18352 2 6 'Proteinase Inhibitors' 'natural abundance' . . . . . . 1 . . x . . . . 18352 2 7 'MES pH 6.5' 'natural abundance' . . . . . . 20 . . mM . . . . 18352 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18352 2 9 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 18352 2 10 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18352 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 18352 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 18352 1 pressure 1 . atm 18352 1 temperature 298 . K 18352 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18352 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18352 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,structure solution,geometry optimization' 18352 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18352 _Software.ID 2 _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' . . 18352 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 18352 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 18352 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 18352 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18352 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 18352 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 18352 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18352 4 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 18352 _Software.ID 5 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 18352 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18352 5 stop_ save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 18352 _Software.ID 6 _Software.Name CSI _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(CSI) Wishart and Sykes' . . 18352 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Secondary structure information' 18352 6 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18352 _Software.ID 7 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18352 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18352 7 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18352 _Software.ID 8 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 18352 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18352 8 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18352 _Software.ID 9 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 18352 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 18352 9 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18352 _Software.ID 10 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18352 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18352 10 'data analysis' 18352 10 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 18352 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18352 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 18352 _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 Varian INOVA . 600 . . . 18352 1 2 spectrometer_2 Varian INOVA . 750 . . . 18352 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 18352 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18352 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18352 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18352 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18352 1 5 '(4,3)D GFT-HNCACBCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18352 1 6 '(4,3)D GFT-CBCACA(CO)NHN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18352 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18352 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18352 1 9 '3D H(CCO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18352 1 10 '3D HCCH-COSY-ali' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18352 1 11 '3D HCCH-COSY-aro' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18352 1 12 '2D 1H-15N HSQC (Wide range)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18352 1 13 '1D Proton' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18352 1 14 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18352 1 15 '2D 1H-13C(CT-27ms) HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18352 1 16 '2D 1H-13C(CT-16ms) HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18352 1 17 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18352 1 18 '2D 1H-13C(CT-28ms) HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18352 1 stop_ save_ save_NMR_spectrometer_expt_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_14 _NMR_spec_expt.Entry_ID 18352 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18352/timedomain_data/exp1949/acqfil/ . . . . . . . 18352 1 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18352/timedomain_data/exp1949/acqfil/ . . . . . . . 18352 1 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18352/timedomain_data/exp1949/acqfil/ . . . . . . . 18352 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 18352 _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 . . . . . . . . . 18352 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18352 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18352 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 18352 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18352 1 14 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 18352 1 15 '2D 1H-13C(CT-27ms) HSQC aliphatic' . . . 18352 1 16 '2D 1H-13C(CT-16ms) HSQC aromatic' . . . 18352 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 5 5 ASN HA H 1 4.682 0.020 . 1 . . . A 5 ASN HA . 18352 1 2 . 1 1 5 5 ASN HB2 H 1 2.734 0.020 . 1 . . . A 5 ASN HB2 . 18352 1 3 . 1 1 5 5 ASN HB3 H 1 2.734 0.020 . 1 . . . A 5 ASN HB3 . 18352 1 4 . 1 1 5 5 ASN HD21 H 1 6.892 0.020 . 2 . . . A 5 ASN HD21 . 18352 1 5 . 1 1 5 5 ASN HD22 H 1 7.582 0.020 . 2 . . . A 5 ASN HD22 . 18352 1 6 . 1 1 5 5 ASN C C 13 174.605 0.400 . 1 . . . A 5 ASN C . 18352 1 7 . 1 1 5 5 ASN CA C 13 53.170 0.400 . 1 . . . A 5 ASN CA . 18352 1 8 . 1 1 5 5 ASN CB C 13 38.729 0.400 . 1 . . . A 5 ASN CB . 18352 1 9 . 1 1 5 5 ASN ND2 N 15 112.781 0.400 . 1 . . . A 5 ASN ND2 . 18352 1 10 . 1 1 6 6 VAL H H 1 8.054 0.020 . 1 . . . A 6 VAL H . 18352 1 11 . 1 1 6 6 VAL HA H 1 4.100 0.020 . 1 . . . A 6 VAL HA . 18352 1 12 . 1 1 6 6 VAL HB H 1 2.035 0.020 . 1 . . . A 6 VAL HB . 18352 1 13 . 1 1 6 6 VAL HG11 H 1 0.885 0.020 . 1 . . . A 6 VAL HG11 . 18352 1 14 . 1 1 6 6 VAL HG12 H 1 0.885 0.020 . 1 . . . A 6 VAL HG12 . 18352 1 15 . 1 1 6 6 VAL HG13 H 1 0.885 0.020 . 1 . . . A 6 VAL HG13 . 18352 1 16 . 1 1 6 6 VAL HG21 H 1 0.903 0.020 . 1 . . . A 6 VAL HG21 . 18352 1 17 . 1 1 6 6 VAL HG22 H 1 0.903 0.020 . 1 . . . A 6 VAL HG22 . 18352 1 18 . 1 1 6 6 VAL HG23 H 1 0.903 0.020 . 1 . . . A 6 VAL HG23 . 18352 1 19 . 1 1 6 6 VAL C C 13 175.810 0.400 . 1 . . . A 6 VAL C . 18352 1 20 . 1 1 6 6 VAL CA C 13 62.194 0.400 . 1 . . . A 6 VAL CA . 18352 1 21 . 1 1 6 6 VAL CB C 13 32.594 0.400 . 1 . . . A 6 VAL CB . 18352 1 22 . 1 1 6 6 VAL CG1 C 13 20.971 0.400 . 1 . . . A 6 VAL CG1 . 18352 1 23 . 1 1 6 6 VAL CG2 C 13 20.599 0.400 . 1 . . . A 6 VAL CG2 . 18352 1 24 . 1 1 6 6 VAL N N 15 120.809 0.400 . 1 . . . A 6 VAL N . 18352 1 25 . 1 1 7 7 ILE H H 1 8.261 0.020 . 1 . . . A 7 ILE H . 18352 1 26 . 1 1 7 7 ILE HA H 1 4.137 0.020 . 1 . . . A 7 ILE HA . 18352 1 27 . 1 1 7 7 ILE HB H 1 1.799 0.020 . 1 . . . A 7 ILE HB . 18352 1 28 . 1 1 7 7 ILE HG12 H 1 1.459 0.020 . 2 . . . A 7 ILE HG12 . 18352 1 29 . 1 1 7 7 ILE HG13 H 1 1.167 0.020 . 2 . . . A 7 ILE HG13 . 18352 1 30 . 1 1 7 7 ILE HG21 H 1 0.814 0.020 . 1 . . . A 7 ILE HG21 . 18352 1 31 . 1 1 7 7 ILE HG22 H 1 0.814 0.020 . 1 . . . A 7 ILE HG22 . 18352 1 32 . 1 1 7 7 ILE HG23 H 1 0.814 0.020 . 1 . . . A 7 ILE HG23 . 18352 1 33 . 1 1 7 7 ILE HD11 H 1 0.817 0.020 . 1 . . . A 7 ILE HD11 . 18352 1 34 . 1 1 7 7 ILE HD12 H 1 0.817 0.020 . 1 . . . A 7 ILE HD12 . 18352 1 35 . 1 1 7 7 ILE HD13 H 1 0.817 0.020 . 1 . . . A 7 ILE HD13 . 18352 1 36 . 1 1 7 7 ILE C C 13 175.970 0.400 . 1 . . . A 7 ILE C . 18352 1 37 . 1 1 7 7 ILE CA C 13 60.739 0.400 . 1 . . . A 7 ILE CA . 18352 1 38 . 1 1 7 7 ILE CB C 13 38.439 0.400 . 1 . . . A 7 ILE CB . 18352 1 39 . 1 1 7 7 ILE CG1 C 13 27.219 0.400 . 1 . . . A 7 ILE CG1 . 18352 1 40 . 1 1 7 7 ILE CG2 C 13 17.240 0.400 . 1 . . . A 7 ILE CG2 . 18352 1 41 . 1 1 7 7 ILE CD1 C 13 12.468 0.400 . 1 . . . A 7 ILE CD1 . 18352 1 42 . 1 1 7 7 ILE N N 15 125.767 0.400 . 1 . . . A 7 ILE N . 18352 1 43 . 1 1 8 8 LYS H H 1 8.383 0.020 . 1 . . . A 8 LYS H . 18352 1 44 . 1 1 8 8 LYS HA H 1 4.315 0.020 . 1 . . . A 8 LYS HA . 18352 1 45 . 1 1 8 8 LYS HB2 H 1 1.712 0.020 . 1 . . . A 8 LYS HB2 . 18352 1 46 . 1 1 8 8 LYS HB3 H 1 1.712 0.020 . 1 . . . A 8 LYS HB3 . 18352 1 47 . 1 1 8 8 LYS HG2 H 1 1.550 0.020 . 1 . . . A 8 LYS HG2 . 18352 1 48 . 1 1 8 8 LYS HG3 H 1 1.550 0.020 . 1 . . . A 8 LYS HG3 . 18352 1 49 . 1 1 8 8 LYS HD2 H 1 1.666 0.020 . 1 . . . A 8 LYS HD2 . 18352 1 50 . 1 1 8 8 LYS HD3 H 1 1.666 0.020 . 1 . . . A 8 LYS HD3 . 18352 1 51 . 1 1 8 8 LYS HE2 H 1 2.977 0.020 . 1 . . . A 8 LYS HE2 . 18352 1 52 . 1 1 8 8 LYS HE3 H 1 2.977 0.020 . 1 . . . A 8 LYS HE3 . 18352 1 53 . 1 1 8 8 LYS C C 13 176.190 0.400 . 1 . . . A 8 LYS C . 18352 1 54 . 1 1 8 8 LYS CA C 13 55.875 0.400 . 1 . . . A 8 LYS CA . 18352 1 55 . 1 1 8 8 LYS CB C 13 33.212 0.400 . 1 . . . A 8 LYS CB . 18352 1 56 . 1 1 8 8 LYS CG C 13 24.556 0.400 . 1 . . . A 8 LYS CG . 18352 1 57 . 1 1 8 8 LYS CD C 13 29.013 0.400 . 1 . . . A 8 LYS CD . 18352 1 58 . 1 1 8 8 LYS CE C 13 41.933 0.400 . 1 . . . A 8 LYS CE . 18352 1 59 . 1 1 8 8 LYS N N 15 126.858 0.400 . 1 . . . A 8 LYS N . 18352 1 60 . 1 1 9 9 LYS H H 1 8.394 0.020 . 1 . . . A 9 LYS H . 18352 1 61 . 1 1 9 9 LYS HA H 1 4.276 0.020 . 1 . . . A 9 LYS HA . 18352 1 62 . 1 1 9 9 LYS HB2 H 1 1.770 0.020 . 2 . . . A 9 LYS HB2 . 18352 1 63 . 1 1 9 9 LYS HB3 H 1 1.703 0.020 . 2 . . . A 9 LYS HB3 . 18352 1 64 . 1 1 9 9 LYS HG2 H 1 1.425 0.020 . 1 . . . A 9 LYS HG2 . 18352 1 65 . 1 1 9 9 LYS HG3 H 1 1.425 0.020 . 1 . . . A 9 LYS HG3 . 18352 1 66 . 1 1 9 9 LYS HD2 H 1 1.534 0.020 . 1 . . . A 9 LYS HD2 . 18352 1 67 . 1 1 9 9 LYS HD3 H 1 1.534 0.020 . 1 . . . A 9 LYS HD3 . 18352 1 68 . 1 1 9 9 LYS HE2 H 1 3.004 0.020 . 1 . . . A 9 LYS HE2 . 18352 1 69 . 1 1 9 9 LYS HE3 H 1 3.004 0.020 . 1 . . . A 9 LYS HE3 . 18352 1 70 . 1 1 9 9 LYS C C 13 176.382 0.400 . 1 . . . A 9 LYS C . 18352 1 71 . 1 1 9 9 LYS CA C 13 55.983 0.400 . 1 . . . A 9 LYS CA . 18352 1 72 . 1 1 9 9 LYS CB C 13 33.182 0.400 . 1 . . . A 9 LYS CB . 18352 1 73 . 1 1 9 9 LYS CG C 13 24.587 0.400 . 1 . . . A 9 LYS CG . 18352 1 74 . 1 1 9 9 LYS CD C 13 28.997 0.400 . 1 . . . A 9 LYS CD . 18352 1 75 . 1 1 9 9 LYS CE C 13 41.958 0.400 . 1 . . . A 9 LYS CE . 18352 1 76 . 1 1 9 9 LYS N N 15 123.748 0.400 . 1 . . . A 9 LYS N . 18352 1 77 . 1 1 10 10 LYS H H 1 8.462 0.020 . 1 . . . A 10 LYS H . 18352 1 78 . 1 1 10 10 LYS HA H 1 4.237 0.020 . 1 . . . A 10 LYS HA . 18352 1 79 . 1 1 10 10 LYS HB2 H 1 1.800 0.020 . 1 . . . A 10 LYS HB2 . 18352 1 80 . 1 1 10 10 LYS HB3 H 1 1.800 0.020 . 1 . . . A 10 LYS HB3 . 18352 1 81 . 1 1 10 10 LYS HG2 H 1 1.418 0.020 . 1 . . . A 10 LYS HG2 . 18352 1 82 . 1 1 10 10 LYS HG3 H 1 1.418 0.020 . 1 . . . A 10 LYS HG3 . 18352 1 83 . 1 1 10 10 LYS HD2 H 1 1.796 0.020 . 1 . . . A 10 LYS HD2 . 18352 1 84 . 1 1 10 10 LYS HD3 H 1 1.796 0.020 . 1 . . . A 10 LYS HD3 . 18352 1 85 . 1 1 10 10 LYS HE2 H 1 3.028 0.020 . 1 . . . A 10 LYS HE2 . 18352 1 86 . 1 1 10 10 LYS HE3 H 1 3.028 0.020 . 1 . . . A 10 LYS HE3 . 18352 1 87 . 1 1 10 10 LYS C C 13 177.059 0.400 . 1 . . . A 10 LYS C . 18352 1 88 . 1 1 10 10 LYS CA C 13 57.044 0.400 . 1 . . . A 10 LYS CA . 18352 1 89 . 1 1 10 10 LYS CB C 13 32.833 0.400 . 1 . . . A 10 LYS CB . 18352 1 90 . 1 1 10 10 LYS CG C 13 24.556 0.400 . 1 . . . A 10 LYS CG . 18352 1 91 . 1 1 10 10 LYS CD C 13 28.925 0.400 . 1 . . . A 10 LYS CD . 18352 1 92 . 1 1 10 10 LYS CE C 13 41.929 0.400 . 1 . . . A 10 LYS CE . 18352 1 93 . 1 1 10 10 LYS N N 15 123.700 0.400 . 1 . . . A 10 LYS N . 18352 1 94 . 1 1 11 11 GLY H H 1 8.471 0.020 . 1 . . . A 11 GLY H . 18352 1 95 . 1 1 11 11 GLY HA2 H 1 3.927 0.020 . 1 . . . A 11 GLY HA2 . 18352 1 96 . 1 1 11 11 GLY HA3 H 1 3.927 0.020 . 1 . . . A 11 GLY HA3 . 18352 1 97 . 1 1 11 11 GLY C C 13 173.782 0.400 . 1 . . . A 11 GLY C . 18352 1 98 . 1 1 11 11 GLY CA C 13 45.159 0.400 . 1 . . . A 11 GLY CA . 18352 1 99 . 1 1 11 11 GLY N N 15 110.533 0.400 . 1 . . . A 11 GLY N . 18352 1 100 . 1 1 12 12 GLU H H 1 8.120 0.020 . 1 . . . A 12 GLU H . 18352 1 101 . 1 1 12 12 GLU HA H 1 4.305 0.020 . 1 . . . A 12 GLU HA . 18352 1 102 . 1 1 12 12 GLU HB2 H 1 1.999 0.020 . 2 . . . A 12 GLU HB2 . 18352 1 103 . 1 1 12 12 GLU HB3 H 1 1.895 0.020 . 2 . . . A 12 GLU HB3 . 18352 1 104 . 1 1 12 12 GLU HG2 H 1 2.198 0.020 . 2 . . . A 12 GLU HG2 . 18352 1 105 . 1 1 12 12 GLU HG3 H 1 2.384 0.020 . 2 . . . A 12 GLU HG3 . 18352 1 106 . 1 1 12 12 GLU C C 13 176.120 0.400 . 1 . . . A 12 GLU C . 18352 1 107 . 1 1 12 12 GLU CA C 13 56.174 0.400 . 1 . . . A 12 GLU CA . 18352 1 108 . 1 1 12 12 GLU CB C 13 30.436 0.400 . 1 . . . A 12 GLU CB . 18352 1 109 . 1 1 12 12 GLU CG C 13 36.029 0.400 . 1 . . . A 12 GLU CG . 18352 1 110 . 1 1 12 12 GLU N N 15 120.874 0.400 . 1 . . . A 12 GLU N . 18352 1 111 . 1 1 13 13 ILE H H 1 8.263 0.020 . 1 . . . A 13 ILE H . 18352 1 112 . 1 1 13 13 ILE HA H 1 4.127 0.020 . 1 . . . A 13 ILE HA . 18352 1 113 . 1 1 13 13 ILE HB H 1 1.788 0.020 . 1 . . . A 13 ILE HB . 18352 1 114 . 1 1 13 13 ILE HG12 H 1 1.460 0.020 . 2 . . . A 13 ILE HG12 . 18352 1 115 . 1 1 13 13 ILE HG13 H 1 1.164 0.020 . 2 . . . A 13 ILE HG13 . 18352 1 116 . 1 1 13 13 ILE HG21 H 1 0.840 0.020 . 1 . . . A 13 ILE HG21 . 18352 1 117 . 1 1 13 13 ILE HG22 H 1 0.840 0.020 . 1 . . . A 13 ILE HG22 . 18352 1 118 . 1 1 13 13 ILE HG23 H 1 0.840 0.020 . 1 . . . A 13 ILE HG23 . 18352 1 119 . 1 1 13 13 ILE HD11 H 1 0.826 0.020 . 1 . . . A 13 ILE HD11 . 18352 1 120 . 1 1 13 13 ILE HD12 H 1 0.826 0.020 . 1 . . . A 13 ILE HD12 . 18352 1 121 . 1 1 13 13 ILE HD13 H 1 0.826 0.020 . 1 . . . A 13 ILE HD13 . 18352 1 122 . 1 1 13 13 ILE C C 13 175.760 0.400 . 1 . . . A 13 ILE C . 18352 1 123 . 1 1 13 13 ILE CA C 13 60.951 0.400 . 1 . . . A 13 ILE CA . 18352 1 124 . 1 1 13 13 ILE CB C 13 38.568 0.400 . 1 . . . A 13 ILE CB . 18352 1 125 . 1 1 13 13 ILE CG1 C 13 27.255 0.400 . 1 . . . A 13 ILE CG1 . 18352 1 126 . 1 1 13 13 ILE CG2 C 13 17.229 0.400 . 1 . . . A 13 ILE CG2 . 18352 1 127 . 1 1 13 13 ILE CD1 C 13 12.801 0.400 . 1 . . . A 13 ILE CD1 . 18352 1 128 . 1 1 13 13 ILE N N 15 123.071 0.400 . 1 . . . A 13 ILE N . 18352 1 129 . 1 1 14 14 ILE H H 1 8.268 0.020 . 1 . . . A 14 ILE H . 18352 1 130 . 1 1 14 14 ILE HA H 1 4.154 0.020 . 1 . . . A 14 ILE HA . 18352 1 131 . 1 1 14 14 ILE HB H 1 1.786 0.020 . 1 . . . A 14 ILE HB . 18352 1 132 . 1 1 14 14 ILE HG12 H 1 1.465 0.020 . 2 . . . A 14 ILE HG12 . 18352 1 133 . 1 1 14 14 ILE HG13 H 1 1.158 0.020 . 2 . . . A 14 ILE HG13 . 18352 1 134 . 1 1 14 14 ILE HG21 H 1 0.816 0.020 . 1 . . . A 14 ILE HG21 . 18352 1 135 . 1 1 14 14 ILE HG22 H 1 0.816 0.020 . 1 . . . A 14 ILE HG22 . 18352 1 136 . 1 1 14 14 ILE HG23 H 1 0.816 0.020 . 1 . . . A 14 ILE HG23 . 18352 1 137 . 1 1 14 14 ILE HD11 H 1 0.837 0.020 . 1 . . . A 14 ILE HD11 . 18352 1 138 . 1 1 14 14 ILE HD12 H 1 0.837 0.020 . 1 . . . A 14 ILE HD12 . 18352 1 139 . 1 1 14 14 ILE HD13 H 1 0.837 0.020 . 1 . . . A 14 ILE HD13 . 18352 1 140 . 1 1 14 14 ILE C C 13 175.541 0.400 . 1 . . . A 14 ILE C . 18352 1 141 . 1 1 14 14 ILE CA C 13 60.489 0.400 . 1 . . . A 14 ILE CA . 18352 1 142 . 1 1 14 14 ILE CB C 13 38.654 0.400 . 1 . . . A 14 ILE CB . 18352 1 143 . 1 1 14 14 ILE CG1 C 13 27.294 0.400 . 1 . . . A 14 ILE CG1 . 18352 1 144 . 1 1 14 14 ILE CG2 C 13 17.293 0.400 . 1 . . . A 14 ILE CG2 . 18352 1 145 . 1 1 14 14 ILE CD1 C 13 12.520 0.400 . 1 . . . A 14 ILE CD1 . 18352 1 146 . 1 1 14 14 ILE N N 15 126.880 0.400 . 1 . . . A 14 ILE N . 18352 1 147 . 1 1 15 15 ILE H H 1 8.308 0.020 . 1 . . . A 15 ILE H . 18352 1 148 . 1 1 15 15 ILE HA H 1 3.943 0.020 . 1 . . . A 15 ILE HA . 18352 1 149 . 1 1 15 15 ILE HB H 1 1.638 0.020 . 1 . . . A 15 ILE HB . 18352 1 150 . 1 1 15 15 ILE HG12 H 1 1.073 0.020 . 2 . . . A 15 ILE HG12 . 18352 1 151 . 1 1 15 15 ILE HG13 H 1 1.274 0.020 . 2 . . . A 15 ILE HG13 . 18352 1 152 . 1 1 15 15 ILE HG21 H 1 0.186 0.020 . 1 . . . A 15 ILE HG21 . 18352 1 153 . 1 1 15 15 ILE HG22 H 1 0.186 0.020 . 1 . . . A 15 ILE HG22 . 18352 1 154 . 1 1 15 15 ILE HG23 H 1 0.186 0.020 . 1 . . . A 15 ILE HG23 . 18352 1 155 . 1 1 15 15 ILE HD11 H 1 0.699 0.020 . 1 . . . A 15 ILE HD11 . 18352 1 156 . 1 1 15 15 ILE HD12 H 1 0.699 0.020 . 1 . . . A 15 ILE HD12 . 18352 1 157 . 1 1 15 15 ILE HD13 H 1 0.699 0.020 . 1 . . . A 15 ILE HD13 . 18352 1 158 . 1 1 15 15 ILE C C 13 174.881 0.400 . 1 . . . A 15 ILE C . 18352 1 159 . 1 1 15 15 ILE CA C 13 59.885 0.400 . 1 . . . A 15 ILE CA . 18352 1 160 . 1 1 15 15 ILE CB C 13 38.226 0.400 . 1 . . . A 15 ILE CB . 18352 1 161 . 1 1 15 15 ILE CG1 C 13 26.945 0.400 . 1 . . . A 15 ILE CG1 . 18352 1 162 . 1 1 15 15 ILE CG2 C 13 16.679 0.400 . 1 . . . A 15 ILE CG2 . 18352 1 163 . 1 1 15 15 ILE CD1 C 13 12.213 0.400 . 1 . . . A 15 ILE CD1 . 18352 1 164 . 1 1 15 15 ILE N N 15 127.307 0.400 . 1 . . . A 15 ILE N . 18352 1 165 . 1 1 16 16 LEU H H 1 8.193 0.020 . 1 . . . A 16 LEU H . 18352 1 166 . 1 1 16 16 LEU HA H 1 4.359 0.020 . 1 . . . A 16 LEU HA . 18352 1 167 . 1 1 16 16 LEU HB2 H 1 1.454 0.020 . 2 . . . A 16 LEU HB2 . 18352 1 168 . 1 1 16 16 LEU HB3 H 1 1.353 0.020 . 2 . . . A 16 LEU HB3 . 18352 1 169 . 1 1 16 16 LEU HG H 1 1.373 0.020 . 1 . . . A 16 LEU HG . 18352 1 170 . 1 1 16 16 LEU HD11 H 1 0.836 0.020 . 1 . . . A 16 LEU HD11 . 18352 1 171 . 1 1 16 16 LEU HD12 H 1 0.836 0.020 . 1 . . . A 16 LEU HD12 . 18352 1 172 . 1 1 16 16 LEU HD13 H 1 0.836 0.020 . 1 . . . A 16 LEU HD13 . 18352 1 173 . 1 1 16 16 LEU HD21 H 1 0.777 0.020 . 1 . . . A 16 LEU HD21 . 18352 1 174 . 1 1 16 16 LEU HD22 H 1 0.777 0.020 . 1 . . . A 16 LEU HD22 . 18352 1 175 . 1 1 16 16 LEU HD23 H 1 0.777 0.020 . 1 . . . A 16 LEU HD23 . 18352 1 176 . 1 1 16 16 LEU C C 13 175.641 0.400 . 1 . . . A 16 LEU C . 18352 1 177 . 1 1 16 16 LEU CA C 13 54.228 0.400 . 1 . . . A 16 LEU CA . 18352 1 178 . 1 1 16 16 LEU CB C 13 42.179 0.400 . 1 . . . A 16 LEU CB . 18352 1 179 . 1 1 16 16 LEU CG C 13 26.887 0.400 . 1 . . . A 16 LEU CG . 18352 1 180 . 1 1 16 16 LEU CD1 C 13 24.654 0.400 . 1 . . . A 16 LEU CD1 . 18352 1 181 . 1 1 16 16 LEU CD2 C 13 23.688 0.400 . 1 . . . A 16 LEU CD2 . 18352 1 182 . 1 1 16 16 LEU N N 15 128.303 0.400 . 1 . . . A 16 LEU N . 18352 1 183 . 1 1 17 17 TRP H H 1 7.960 0.020 . 1 . . . A 17 TRP H . 18352 1 184 . 1 1 17 17 TRP HA H 1 4.907 0.020 . 1 . . . A 17 TRP HA . 18352 1 185 . 1 1 17 17 TRP HB2 H 1 2.946 0.020 . 1 . . . A 17 TRP HB2 . 18352 1 186 . 1 1 17 17 TRP HB3 H 1 3.439 0.020 . 1 . . . A 17 TRP HB3 . 18352 1 187 . 1 1 17 17 TRP HD1 H 1 7.241 0.020 . 1 . . . A 17 TRP HD1 . 18352 1 188 . 1 1 17 17 TRP HE1 H 1 10.152 0.020 . 1 . . . A 17 TRP HE1 . 18352 1 189 . 1 1 17 17 TRP HE3 H 1 6.819 0.020 . 1 . . . A 17 TRP HE3 . 18352 1 190 . 1 1 17 17 TRP HZ2 H 1 7.246 0.020 . 1 . . . A 17 TRP HZ2 . 18352 1 191 . 1 1 17 17 TRP HZ3 H 1 7.734 0.020 . 1 . . . A 17 TRP HZ3 . 18352 1 192 . 1 1 17 17 TRP HH2 H 1 6.588 0.020 . 1 . . . A 17 TRP HH2 . 18352 1 193 . 1 1 17 17 TRP C C 13 177.529 0.400 . 1 . . . A 17 TRP C . 18352 1 194 . 1 1 17 17 TRP CA C 13 55.734 0.400 . 1 . . . A 17 TRP CA . 18352 1 195 . 1 1 17 17 TRP CB C 13 30.847 0.400 . 1 . . . A 17 TRP CB . 18352 1 196 . 1 1 17 17 TRP CD1 C 13 127.752 0.400 . 1 . . . A 17 TRP CD1 . 18352 1 197 . 1 1 17 17 TRP CE3 C 13 120.408 0.400 . 1 . . . A 17 TRP CE3 . 18352 1 198 . 1 1 17 17 TRP CZ2 C 13 114.832 0.400 . 1 . . . A 17 TRP CZ2 . 18352 1 199 . 1 1 17 17 TRP CZ3 C 13 120.853 0.400 . 1 . . . A 17 TRP CZ3 . 18352 1 200 . 1 1 17 17 TRP CH2 C 13 121.443 0.400 . 1 . . . A 17 TRP CH2 . 18352 1 201 . 1 1 17 17 TRP N N 15 123.748 0.400 . 1 . . . A 17 TRP N . 18352 1 202 . 1 1 17 17 TRP NE1 N 15 129.261 0.400 . 1 . . . A 17 TRP NE1 . 18352 1 203 . 1 1 18 18 THR H H 1 9.618 0.020 . 1 . . . A 18 THR H . 18352 1 204 . 1 1 18 18 THR HA H 1 4.674 0.020 . 1 . . . A 18 THR HA . 18352 1 205 . 1 1 18 18 THR HB H 1 4.744 0.020 . 1 . . . A 18 THR HB . 18352 1 206 . 1 1 18 18 THR HG1 H 1 5.205 0.020 . 1 . . . A 18 THR HG1 . 18352 1 207 . 1 1 18 18 THR HG21 H 1 1.337 0.020 . 1 . . . A 18 THR HG21 . 18352 1 208 . 1 1 18 18 THR HG22 H 1 1.337 0.020 . 1 . . . A 18 THR HG22 . 18352 1 209 . 1 1 18 18 THR HG23 H 1 1.337 0.020 . 1 . . . A 18 THR HG23 . 18352 1 210 . 1 1 18 18 THR C C 13 175.101 0.400 . 1 . . . A 18 THR C . 18352 1 211 . 1 1 18 18 THR CA C 13 60.167 0.400 . 1 . . . A 18 THR CA . 18352 1 212 . 1 1 18 18 THR CB C 13 71.688 0.400 . 1 . . . A 18 THR CB . 18352 1 213 . 1 1 18 18 THR CG2 C 13 21.633 0.400 . 1 . . . A 18 THR CG2 . 18352 1 214 . 1 1 18 18 THR N N 15 117.083 0.400 . 1 . . . A 18 THR N . 18352 1 215 . 1 1 19 19 ARG H H 1 8.812 0.020 . 1 . . . A 19 ARG H . 18352 1 216 . 1 1 19 19 ARG HA H 1 4.201 0.020 . 1 . . . A 19 ARG HA . 18352 1 217 . 1 1 19 19 ARG HB2 H 1 1.910 0.020 . 2 . . . A 19 ARG HB2 . 18352 1 218 . 1 1 19 19 ARG HB3 H 1 1.965 0.020 . 2 . . . A 19 ARG HB3 . 18352 1 219 . 1 1 19 19 ARG HG2 H 1 1.810 0.020 . 1 . . . A 19 ARG HG2 . 18352 1 220 . 1 1 19 19 ARG HG3 H 1 1.810 0.020 . 1 . . . A 19 ARG HG3 . 18352 1 221 . 1 1 19 19 ARG HD2 H 1 3.302 0.020 . 1 . . . A 19 ARG HD2 . 18352 1 222 . 1 1 19 19 ARG HD3 H 1 3.302 0.020 . 1 . . . A 19 ARG HD3 . 18352 1 223 . 1 1 19 19 ARG C C 13 179.477 0.400 . 1 . . . A 19 ARG C . 18352 1 224 . 1 1 19 19 ARG CA C 13 59.212 0.400 . 1 . . . A 19 ARG CA . 18352 1 225 . 1 1 19 19 ARG CB C 13 29.571 0.400 . 1 . . . A 19 ARG CB . 18352 1 226 . 1 1 19 19 ARG CG C 13 27.149 0.400 . 1 . . . A 19 ARG CG . 18352 1 227 . 1 1 19 19 ARG CD C 13 43.241 0.400 . 1 . . . A 19 ARG CD . 18352 1 228 . 1 1 19 19 ARG N N 15 119.880 0.400 . 1 . . . A 19 ARG N . 18352 1 229 . 1 1 20 20 ASN H H 1 8.263 0.020 . 1 . . . A 20 ASN H . 18352 1 230 . 1 1 20 20 ASN HA H 1 4.464 0.020 . 1 . . . A 20 ASN HA . 18352 1 231 . 1 1 20 20 ASN HB2 H 1 2.770 0.020 . 2 . . . A 20 ASN HB2 . 18352 1 232 . 1 1 20 20 ASN HB3 H 1 2.726 0.020 . 2 . . . A 20 ASN HB3 . 18352 1 233 . 1 1 20 20 ASN HD21 H 1 7.062 0.020 . 2 . . . A 20 ASN HD21 . 18352 1 234 . 1 1 20 20 ASN HD22 H 1 7.960 0.020 . 2 . . . A 20 ASN HD22 . 18352 1 235 . 1 1 20 20 ASN C C 13 176.730 0.400 . 1 . . . A 20 ASN C . 18352 1 236 . 1 1 20 20 ASN CA C 13 56.625 0.400 . 1 . . . A 20 ASN CA . 18352 1 237 . 1 1 20 20 ASN CB C 13 38.685 0.400 . 1 . . . A 20 ASN CB . 18352 1 238 . 1 1 20 20 ASN N N 15 117.096 0.400 . 1 . . . A 20 ASN N . 18352 1 239 . 1 1 20 20 ASN ND2 N 15 115.353 0.400 . 1 . . . A 20 ASN ND2 . 18352 1 240 . 1 1 21 21 ASP H H 1 7.959 0.020 . 1 . . . A 21 ASP H . 18352 1 241 . 1 1 21 21 ASP HA H 1 4.294 0.020 . 1 . . . A 21 ASP HA . 18352 1 242 . 1 1 21 21 ASP HB2 H 1 2.894 0.020 . 1 . . . A 21 ASP HB2 . 18352 1 243 . 1 1 21 21 ASP HB3 H 1 3.466 0.020 . 1 . . . A 21 ASP HB3 . 18352 1 244 . 1 1 21 21 ASP C C 13 177.509 0.400 . 1 . . . A 21 ASP C . 18352 1 245 . 1 1 21 21 ASP CA C 13 57.921 0.400 . 1 . . . A 21 ASP CA . 18352 1 246 . 1 1 21 21 ASP CB C 13 41.745 0.400 . 1 . . . A 21 ASP CB . 18352 1 247 . 1 1 21 21 ASP N N 15 121.000 0.400 . 1 . . . A 21 ASP N . 18352 1 248 . 1 1 22 22 ASP H H 1 7.829 0.020 . 1 . . . A 22 ASP H . 18352 1 249 . 1 1 22 22 ASP HA H 1 4.202 0.020 . 1 . . . A 22 ASP HA . 18352 1 250 . 1 1 22 22 ASP HB2 H 1 2.704 0.020 . 2 . . . A 22 ASP HB2 . 18352 1 251 . 1 1 22 22 ASP HB3 H 1 2.451 0.020 . 2 . . . A 22 ASP HB3 . 18352 1 252 . 1 1 22 22 ASP C C 13 177.792 0.400 . 1 . . . A 22 ASP C . 18352 1 253 . 1 1 22 22 ASP CA C 13 57.188 0.400 . 1 . . . A 22 ASP CA . 18352 1 254 . 1 1 22 22 ASP CB C 13 40.731 0.400 . 1 . . . A 22 ASP CB . 18352 1 255 . 1 1 22 22 ASP N N 15 119.162 0.400 . 1 . . . A 22 ASP N . 18352 1 256 . 1 1 23 23 ARG H H 1 7.875 0.020 . 1 . . . A 23 ARG H . 18352 1 257 . 1 1 23 23 ARG HA H 1 3.977 0.020 . 1 . . . A 23 ARG HA . 18352 1 258 . 1 1 23 23 ARG HB2 H 1 2.001 0.020 . 2 . . . A 23 ARG HB2 . 18352 1 259 . 1 1 23 23 ARG HB3 H 1 2.040 0.020 . 2 . . . A 23 ARG HB3 . 18352 1 260 . 1 1 23 23 ARG HG2 H 1 1.615 0.020 . 2 . . . A 23 ARG HG2 . 18352 1 261 . 1 1 23 23 ARG HG3 H 1 1.803 0.020 . 2 . . . A 23 ARG HG3 . 18352 1 262 . 1 1 23 23 ARG HD2 H 1 3.307 0.020 . 2 . . . A 23 ARG HD2 . 18352 1 263 . 1 1 23 23 ARG HD3 H 1 3.230 0.020 . 2 . . . A 23 ARG HD3 . 18352 1 264 . 1 1 23 23 ARG C C 13 178.937 0.400 . 1 . . . A 23 ARG C . 18352 1 265 . 1 1 23 23 ARG CA C 13 59.487 0.400 . 1 . . . A 23 ARG CA . 18352 1 266 . 1 1 23 23 ARG CB C 13 30.255 0.400 . 1 . . . A 23 ARG CB . 18352 1 267 . 1 1 23 23 ARG CG C 13 27.393 0.400 . 1 . . . A 23 ARG CG . 18352 1 268 . 1 1 23 23 ARG CD C 13 43.421 0.400 . 1 . . . A 23 ARG CD . 18352 1 269 . 1 1 23 23 ARG N N 15 118.505 0.400 . 1 . . . A 23 ARG N . 18352 1 270 . 1 1 24 24 VAL H H 1 8.092 0.020 . 1 . . . A 24 VAL H . 18352 1 271 . 1 1 24 24 VAL HA H 1 3.738 0.020 . 1 . . . A 24 VAL HA . 18352 1 272 . 1 1 24 24 VAL HB H 1 2.352 0.020 . 1 . . . A 24 VAL HB . 18352 1 273 . 1 1 24 24 VAL HG11 H 1 1.010 0.020 . 1 . . . A 24 VAL HG11 . 18352 1 274 . 1 1 24 24 VAL HG12 H 1 1.010 0.020 . 1 . . . A 24 VAL HG12 . 18352 1 275 . 1 1 24 24 VAL HG13 H 1 1.010 0.020 . 1 . . . A 24 VAL HG13 . 18352 1 276 . 1 1 24 24 VAL HG21 H 1 1.142 0.020 . 1 . . . A 24 VAL HG21 . 18352 1 277 . 1 1 24 24 VAL HG22 H 1 1.142 0.020 . 1 . . . A 24 VAL HG22 . 18352 1 278 . 1 1 24 24 VAL HG23 H 1 1.142 0.020 . 1 . . . A 24 VAL HG23 . 18352 1 279 . 1 1 24 24 VAL C C 13 177.958 0.400 . 1 . . . A 24 VAL C . 18352 1 280 . 1 1 24 24 VAL CA C 13 66.544 0.400 . 1 . . . A 24 VAL CA . 18352 1 281 . 1 1 24 24 VAL CB C 13 31.633 0.400 . 1 . . . A 24 VAL CB . 18352 1 282 . 1 1 24 24 VAL CG1 C 13 21.267 0.400 . 1 . . . A 24 VAL CG1 . 18352 1 283 . 1 1 24 24 VAL CG2 C 13 23.416 0.400 . 1 . . . A 24 VAL CG2 . 18352 1 284 . 1 1 24 24 VAL N N 15 120.236 0.400 . 1 . . . A 24 VAL N . 18352 1 285 . 1 1 25 25 ILE H H 1 8.480 0.020 . 1 . . . A 25 ILE H . 18352 1 286 . 1 1 25 25 ILE HA H 1 3.725 0.020 . 1 . . . A 25 ILE HA . 18352 1 287 . 1 1 25 25 ILE HB H 1 1.973 0.020 . 1 . . . A 25 ILE HB . 18352 1 288 . 1 1 25 25 ILE HG12 H 1 0.745 0.020 . 2 . . . A 25 ILE HG12 . 18352 1 289 . 1 1 25 25 ILE HG13 H 1 2.168 0.020 . 2 . . . A 25 ILE HG13 . 18352 1 290 . 1 1 25 25 ILE HG21 H 1 0.917 0.020 . 1 . . . A 25 ILE HG21 . 18352 1 291 . 1 1 25 25 ILE HG22 H 1 0.917 0.020 . 1 . . . A 25 ILE HG22 . 18352 1 292 . 1 1 25 25 ILE HG23 H 1 0.917 0.020 . 1 . . . A 25 ILE HG23 . 18352 1 293 . 1 1 25 25 ILE HD11 H 1 0.601 0.020 . 1 . . . A 25 ILE HD11 . 18352 1 294 . 1 1 25 25 ILE HD12 H 1 0.601 0.020 . 1 . . . A 25 ILE HD12 . 18352 1 295 . 1 1 25 25 ILE HD13 H 1 0.601 0.020 . 1 . . . A 25 ILE HD13 . 18352 1 296 . 1 1 25 25 ILE C C 13 178.128 0.400 . 1 . . . A 25 ILE C . 18352 1 297 . 1 1 25 25 ILE CA C 13 65.965 0.400 . 1 . . . A 25 ILE CA . 18352 1 298 . 1 1 25 25 ILE CB C 13 38.353 0.400 . 1 . . . A 25 ILE CB . 18352 1 299 . 1 1 25 25 ILE CG1 C 13 29.974 0.400 . 1 . . . A 25 ILE CG1 . 18352 1 300 . 1 1 25 25 ILE CG2 C 13 17.280 0.400 . 1 . . . A 25 ILE CG2 . 18352 1 301 . 1 1 25 25 ILE CD1 C 13 13.788 0.400 . 1 . . . A 25 ILE CD1 . 18352 1 302 . 1 1 25 25 ILE N N 15 119.708 0.400 . 1 . . . A 25 ILE N . 18352 1 303 . 1 1 26 26 LEU H H 1 8.213 0.020 . 1 . . . A 26 LEU H . 18352 1 304 . 1 1 26 26 LEU HA H 1 4.053 0.020 . 1 . . . A 26 LEU HA . 18352 1 305 . 1 1 26 26 LEU HB2 H 1 1.489 0.020 . 2 . . . A 26 LEU HB2 . 18352 1 306 . 1 1 26 26 LEU HB3 H 1 1.885 0.020 . 2 . . . A 26 LEU HB3 . 18352 1 307 . 1 1 26 26 LEU HG H 1 1.858 0.020 . 1 . . . A 26 LEU HG . 18352 1 308 . 1 1 26 26 LEU HD11 H 1 0.870 0.020 . 1 . . . A 26 LEU HD11 . 18352 1 309 . 1 1 26 26 LEU HD12 H 1 0.870 0.020 . 1 . . . A 26 LEU HD12 . 18352 1 310 . 1 1 26 26 LEU HD13 H 1 0.870 0.020 . 1 . . . A 26 LEU HD13 . 18352 1 311 . 1 1 26 26 LEU HD21 H 1 0.871 0.020 . 1 . . . A 26 LEU HD21 . 18352 1 312 . 1 1 26 26 LEU HD22 H 1 0.871 0.020 . 1 . . . A 26 LEU HD22 . 18352 1 313 . 1 1 26 26 LEU HD23 H 1 0.871 0.020 . 1 . . . A 26 LEU HD23 . 18352 1 314 . 1 1 26 26 LEU C C 13 179.856 0.400 . 1 . . . A 26 LEU C . 18352 1 315 . 1 1 26 26 LEU CA C 13 58.503 0.400 . 1 . . . A 26 LEU CA . 18352 1 316 . 1 1 26 26 LEU CB C 13 41.664 0.400 . 1 . . . A 26 LEU CB . 18352 1 317 . 1 1 26 26 LEU CG C 13 26.692 0.400 . 1 . . . A 26 LEU CG . 18352 1 318 . 1 1 26 26 LEU CD1 C 13 25.528 0.400 . 1 . . . A 26 LEU CD1 . 18352 1 319 . 1 1 26 26 LEU CD2 C 13 22.887 0.400 . 1 . . . A 26 LEU CD2 . 18352 1 320 . 1 1 26 26 LEU N N 15 118.106 0.400 . 1 . . . A 26 LEU N . 18352 1 321 . 1 1 27 27 LEU H H 1 8.457 0.020 . 1 . . . A 27 LEU H . 18352 1 322 . 1 1 27 27 LEU HA H 1 4.124 0.020 . 1 . . . A 27 LEU HA . 18352 1 323 . 1 1 27 27 LEU HB2 H 1 1.866 0.020 . 2 . . . A 27 LEU HB2 . 18352 1 324 . 1 1 27 27 LEU HB3 H 1 1.735 0.020 . 2 . . . A 27 LEU HB3 . 18352 1 325 . 1 1 27 27 LEU HG H 1 1.715 0.020 . 1 . . . A 27 LEU HG . 18352 1 326 . 1 1 27 27 LEU HD11 H 1 0.918 0.020 . 1 . . . A 27 LEU HD11 . 18352 1 327 . 1 1 27 27 LEU HD12 H 1 0.918 0.020 . 1 . . . A 27 LEU HD12 . 18352 1 328 . 1 1 27 27 LEU HD13 H 1 0.918 0.020 . 1 . . . A 27 LEU HD13 . 18352 1 329 . 1 1 27 27 LEU HD21 H 1 0.894 0.020 . 1 . . . A 27 LEU HD21 . 18352 1 330 . 1 1 27 27 LEU HD22 H 1 0.894 0.020 . 1 . . . A 27 LEU HD22 . 18352 1 331 . 1 1 27 27 LEU HD23 H 1 0.894 0.020 . 1 . . . A 27 LEU HD23 . 18352 1 332 . 1 1 27 27 LEU C C 13 180.276 0.400 . 1 . . . A 27 LEU C . 18352 1 333 . 1 1 27 27 LEU CA C 13 58.344 0.400 . 1 . . . A 27 LEU CA . 18352 1 334 . 1 1 27 27 LEU CB C 13 42.324 0.400 . 1 . . . A 27 LEU CB . 18352 1 335 . 1 1 27 27 LEU CG C 13 26.912 0.400 . 1 . . . A 27 LEU CG . 18352 1 336 . 1 1 27 27 LEU CD1 C 13 24.489 0.400 . 1 . . . A 27 LEU CD1 . 18352 1 337 . 1 1 27 27 LEU CD2 C 13 23.141 0.400 . 1 . . . A 27 LEU CD2 . 18352 1 338 . 1 1 27 27 LEU N N 15 119.890 0.400 . 1 . . . A 27 LEU N . 18352 1 339 . 1 1 28 28 GLU H H 1 8.695 0.020 . 1 . . . A 28 GLU H . 18352 1 340 . 1 1 28 28 GLU HA H 1 4.390 0.020 . 1 . . . A 28 GLU HA . 18352 1 341 . 1 1 28 28 GLU HB2 H 1 2.146 0.020 . 2 . . . A 28 GLU HB2 . 18352 1 342 . 1 1 28 28 GLU HB3 H 1 1.970 0.020 . 2 . . . A 28 GLU HB3 . 18352 1 343 . 1 1 28 28 GLU HG2 H 1 2.282 0.020 . 2 . . . A 28 GLU HG2 . 18352 1 344 . 1 1 28 28 GLU HG3 H 1 2.650 0.020 . 2 . . . A 28 GLU HG3 . 18352 1 345 . 1 1 28 28 GLU C C 13 180.076 0.400 . 1 . . . A 28 GLU C . 18352 1 346 . 1 1 28 28 GLU CA C 13 58.630 0.400 . 1 . . . A 28 GLU CA . 18352 1 347 . 1 1 28 28 GLU CB C 13 29.184 0.400 . 1 . . . A 28 GLU CB . 18352 1 348 . 1 1 28 28 GLU CG C 13 35.665 0.400 . 1 . . . A 28 GLU CG . 18352 1 349 . 1 1 28 28 GLU N N 15 117.423 0.400 . 1 . . . A 28 GLU N . 18352 1 350 . 1 1 29 29 CYS H H 1 8.306 0.020 . 1 . . . A 29 CYS H . 18352 1 351 . 1 1 29 29 CYS HA H 1 3.783 0.020 . 1 . . . A 29 CYS HA . 18352 1 352 . 1 1 29 29 CYS HB2 H 1 2.003 0.020 . 2 . . . A 29 CYS HB2 . 18352 1 353 . 1 1 29 29 CYS HB3 H 1 2.918 0.020 . 2 . . . A 29 CYS HB3 . 18352 1 354 . 1 1 29 29 CYS C C 13 177.449 0.400 . 1 . . . A 29 CYS C . 18352 1 355 . 1 1 29 29 CYS CA C 13 64.520 0.400 . 1 . . . A 29 CYS CA . 18352 1 356 . 1 1 29 29 CYS CB C 13 27.385 0.400 . 1 . . . A 29 CYS CB . 18352 1 357 . 1 1 29 29 CYS N N 15 116.367 0.400 . 1 . . . A 29 CYS N . 18352 1 358 . 1 1 30 30 GLN H H 1 7.972 0.020 . 1 . . . A 30 GLN H . 18352 1 359 . 1 1 30 30 GLN HA H 1 4.097 0.020 . 1 . . . A 30 GLN HA . 18352 1 360 . 1 1 30 30 GLN HB2 H 1 2.299 0.020 . 2 . . . A 30 GLN HB2 . 18352 1 361 . 1 1 30 30 GLN HB3 H 1 2.200 0.020 . 2 . . . A 30 GLN HB3 . 18352 1 362 . 1 1 30 30 GLN HG2 H 1 2.348 0.020 . 2 . . . A 30 GLN HG2 . 18352 1 363 . 1 1 30 30 GLN HG3 H 1 2.549 0.020 . 2 . . . A 30 GLN HG3 . 18352 1 364 . 1 1 30 30 GLN HE21 H 1 6.683 0.020 . 2 . . . A 30 GLN HE21 . 18352 1 365 . 1 1 30 30 GLN HE22 H 1 7.335 0.020 . 2 . . . A 30 GLN HE22 . 18352 1 366 . 1 1 30 30 GLN C C 13 177.649 0.400 . 1 . . . A 30 GLN C . 18352 1 367 . 1 1 30 30 GLN CA C 13 58.988 0.400 . 1 . . . A 30 GLN CA . 18352 1 368 . 1 1 30 30 GLN CB C 13 28.327 0.400 . 1 . . . A 30 GLN CB . 18352 1 369 . 1 1 30 30 GLN CG C 13 34.153 0.400 . 1 . . . A 30 GLN CG . 18352 1 370 . 1 1 30 30 GLN N N 15 119.841 0.400 . 1 . . . A 30 GLN N . 18352 1 371 . 1 1 30 30 GLN NE2 N 15 110.593 0.400 . 1 . . . A 30 GLN NE2 . 18352 1 372 . 1 1 31 31 LYS H H 1 7.884 0.020 . 1 . . . A 31 LYS H . 18352 1 373 . 1 1 31 31 LYS HA H 1 4.083 0.020 . 1 . . . A 31 LYS HA . 18352 1 374 . 1 1 31 31 LYS HB2 H 1 1.815 0.020 . 2 . . . A 31 LYS HB2 . 18352 1 375 . 1 1 31 31 LYS HB3 H 1 1.890 0.020 . 2 . . . A 31 LYS HB3 . 18352 1 376 . 1 1 31 31 LYS HG2 H 1 1.578 0.020 . 1 . . . A 31 LYS HG2 . 18352 1 377 . 1 1 31 31 LYS HG3 H 1 1.578 0.020 . 1 . . . A 31 LYS HG3 . 18352 1 378 . 1 1 31 31 LYS HD2 H 1 1.645 0.020 . 1 . . . A 31 LYS HD2 . 18352 1 379 . 1 1 31 31 LYS HD3 H 1 1.645 0.020 . 1 . . . A 31 LYS HD3 . 18352 1 380 . 1 1 31 31 LYS HE2 H 1 2.936 0.020 . 1 . . . A 31 LYS HE2 . 18352 1 381 . 1 1 31 31 LYS HE3 H 1 2.936 0.020 . 1 . . . A 31 LYS HE3 . 18352 1 382 . 1 1 31 31 LYS C C 13 178.328 0.400 . 1 . . . A 31 LYS C . 18352 1 383 . 1 1 31 31 LYS CA C 13 59.030 0.400 . 1 . . . A 31 LYS CA . 18352 1 384 . 1 1 31 31 LYS CB C 13 33.717 0.400 . 1 . . . A 31 LYS CB . 18352 1 385 . 1 1 31 31 LYS CG C 13 24.802 0.400 . 1 . . . A 31 LYS CG . 18352 1 386 . 1 1 31 31 LYS CD C 13 28.939 0.400 . 1 . . . A 31 LYS CD . 18352 1 387 . 1 1 31 31 LYS CE C 13 42.035 0.400 . 1 . . . A 31 LYS CE . 18352 1 388 . 1 1 31 31 LYS N N 15 117.792 0.400 . 1 . . . A 31 LYS N . 18352 1 389 . 1 1 32 32 ARG H H 1 8.451 0.020 . 1 . . . A 32 ARG H . 18352 1 390 . 1 1 32 32 ARG HA H 1 4.296 0.020 . 1 . . . A 32 ARG HA . 18352 1 391 . 1 1 32 32 ARG HB2 H 1 1.708 0.020 . 2 . . . A 32 ARG HB2 . 18352 1 392 . 1 1 32 32 ARG HB3 H 1 1.866 0.020 . 2 . . . A 32 ARG HB3 . 18352 1 393 . 1 1 32 32 ARG HG2 H 1 1.924 0.020 . 1 . . . A 32 ARG HG2 . 18352 1 394 . 1 1 32 32 ARG HG3 H 1 1.924 0.020 . 1 . . . A 32 ARG HG3 . 18352 1 395 . 1 1 32 32 ARG HD2 H 1 2.972 0.020 . 2 . . . A 32 ARG HD2 . 18352 1 396 . 1 1 32 32 ARG HD3 H 1 2.830 0.020 . 2 . . . A 32 ARG HD3 . 18352 1 397 . 1 1 32 32 ARG C C 13 177.749 0.400 . 1 . . . A 32 ARG C . 18352 1 398 . 1 1 32 32 ARG CA C 13 56.278 0.400 . 1 . . . A 32 ARG CA . 18352 1 399 . 1 1 32 32 ARG CB C 13 32.826 0.400 . 1 . . . A 32 ARG CB . 18352 1 400 . 1 1 32 32 ARG CG C 13 28.263 0.400 . 1 . . . A 32 ARG CG . 18352 1 401 . 1 1 32 32 ARG CD C 13 43.423 0.400 . 1 . . . A 32 ARG CD . 18352 1 402 . 1 1 32 32 ARG N N 15 114.469 0.400 . 1 . . . A 32 ARG N . 18352 1 403 . 1 1 33 33 GLY H H 1 7.296 0.020 . 1 . . . A 33 GLY H . 18352 1 404 . 1 1 33 33 GLY HA2 H 1 4.216 0.020 . 2 . . . A 33 GLY HA2 . 18352 1 405 . 1 1 33 33 GLY HA3 H 1 4.082 0.020 . 2 . . . A 33 GLY HA3 . 18352 1 406 . 1 1 33 33 GLY C C 13 172.133 0.400 . 1 . . . A 33 GLY C . 18352 1 407 . 1 1 33 33 GLY CA C 13 43.094 0.400 . 1 . . . A 33 GLY CA . 18352 1 408 . 1 1 33 33 GLY N N 15 109.756 0.400 . 1 . . . A 33 GLY N . 18352 1 409 . 1 1 34 34 PRO HA H 1 3.902 0.020 . 1 . . . A 34 PRO HA . 18352 1 410 . 1 1 34 34 PRO HB2 H 1 2.055 0.020 . 2 . . . A 34 PRO HB2 . 18352 1 411 . 1 1 34 34 PRO HB3 H 1 1.136 0.020 . 2 . . . A 34 PRO HB3 . 18352 1 412 . 1 1 34 34 PRO HG2 H 1 2.042 0.020 . 2 . . . A 34 PRO HG2 . 18352 1 413 . 1 1 34 34 PRO HG3 H 1 2.082 0.020 . 2 . . . A 34 PRO HG3 . 18352 1 414 . 1 1 34 34 PRO HD2 H 1 3.622 0.020 . 2 . . . A 34 PRO HD2 . 18352 1 415 . 1 1 34 34 PRO HD3 H 1 3.549 0.020 . 2 . . . A 34 PRO HD3 . 18352 1 416 . 1 1 34 34 PRO C C 13 174.202 0.400 . 1 . . . A 34 PRO C . 18352 1 417 . 1 1 34 34 PRO CA C 13 62.176 0.400 . 1 . . . A 34 PRO CA . 18352 1 418 . 1 1 34 34 PRO CB C 13 29.573 0.400 . 1 . . . A 34 PRO CB . 18352 1 419 . 1 1 34 34 PRO CG C 13 27.299 0.400 . 1 . . . A 34 PRO CG . 18352 1 420 . 1 1 34 34 PRO CD C 13 49.714 0.400 . 1 . . . A 34 PRO CD . 18352 1 421 . 1 1 35 35 SER H H 1 6.939 0.020 . 1 . . . A 35 SER H . 18352 1 422 . 1 1 35 35 SER HA H 1 4.496 0.020 . 1 . . . A 35 SER HA . 18352 1 423 . 1 1 35 35 SER HB2 H 1 3.885 0.020 . 2 . . . A 35 SER HB2 . 18352 1 424 . 1 1 35 35 SER HB3 H 1 4.111 0.020 . 2 . . . A 35 SER HB3 . 18352 1 425 . 1 1 35 35 SER C C 13 173.907 0.400 . 1 . . . A 35 SER C . 18352 1 426 . 1 1 35 35 SER CA C 13 56.261 0.400 . 1 . . . A 35 SER CA . 18352 1 427 . 1 1 35 35 SER CB C 13 65.741 0.400 . 1 . . . A 35 SER CB . 18352 1 428 . 1 1 35 35 SER N N 15 116.825 0.400 . 1 . . . A 35 SER N . 18352 1 429 . 1 1 36 36 SER HB2 H 1 4.287 0.020 . 2 . . . A 36 SER HB2 . 18352 1 430 . 1 1 36 36 SER HB3 H 1 4.015 0.020 . 2 . . . A 36 SER HB3 . 18352 1 431 . 1 1 36 36 SER CB C 13 62.302 0.400 . 1 . . . A 36 SER CB . 18352 1 432 . 1 1 37 37 LYS HA H 1 4.127 0.020 . 1 . . . A 37 LYS HA . 18352 1 433 . 1 1 37 37 LYS HB2 H 1 1.760 0.020 . 1 . . . A 37 LYS HB2 . 18352 1 434 . 1 1 37 37 LYS HB3 H 1 1.760 0.020 . 1 . . . A 37 LYS HB3 . 18352 1 435 . 1 1 37 37 LYS HG2 H 1 1.533 0.020 . 1 . . . A 37 LYS HG2 . 18352 1 436 . 1 1 37 37 LYS HG3 H 1 1.533 0.020 . 1 . . . A 37 LYS HG3 . 18352 1 437 . 1 1 37 37 LYS HD2 H 1 1.664 0.020 . 1 . . . A 37 LYS HD2 . 18352 1 438 . 1 1 37 37 LYS HD3 H 1 1.664 0.020 . 1 . . . A 37 LYS HD3 . 18352 1 439 . 1 1 37 37 LYS HE2 H 1 2.975 0.020 . 1 . . . A 37 LYS HE2 . 18352 1 440 . 1 1 37 37 LYS HE3 H 1 2.975 0.020 . 1 . . . A 37 LYS HE3 . 18352 1 441 . 1 1 37 37 LYS C C 13 179.297 0.400 . 1 . . . A 37 LYS C . 18352 1 442 . 1 1 37 37 LYS CA C 13 59.672 0.400 . 1 . . . A 37 LYS CA . 18352 1 443 . 1 1 37 37 LYS CB C 13 32.134 0.400 . 1 . . . A 37 LYS CB . 18352 1 444 . 1 1 37 37 LYS CG C 13 24.992 0.400 . 1 . . . A 37 LYS CG . 18352 1 445 . 1 1 37 37 LYS CD C 13 28.990 0.400 . 1 . . . A 37 LYS CD . 18352 1 446 . 1 1 37 37 LYS CE C 13 42.030 0.400 . 1 . . . A 37 LYS CE . 18352 1 447 . 1 1 38 38 THR H H 1 7.852 0.020 . 1 . . . A 38 THR H . 18352 1 448 . 1 1 38 38 THR HA H 1 3.816 0.020 . 1 . . . A 38 THR HA . 18352 1 449 . 1 1 38 38 THR HB H 1 3.915 0.020 . 1 . . . A 38 THR HB . 18352 1 450 . 1 1 38 38 THR HG1 H 1 5.133 0.020 . 1 . . . A 38 THR HG1 . 18352 1 451 . 1 1 38 38 THR HG21 H 1 0.936 0.020 . 1 . . . A 38 THR HG21 . 18352 1 452 . 1 1 38 38 THR HG22 H 1 0.936 0.020 . 1 . . . A 38 THR HG22 . 18352 1 453 . 1 1 38 38 THR HG23 H 1 0.936 0.020 . 1 . . . A 38 THR HG23 . 18352 1 454 . 1 1 38 38 THR C C 13 176.640 0.400 . 1 . . . A 38 THR C . 18352 1 455 . 1 1 38 38 THR CA C 13 65.953 0.400 . 1 . . . A 38 THR CA . 18352 1 456 . 1 1 38 38 THR CB C 13 68.200 0.400 . 1 . . . A 38 THR CB . 18352 1 457 . 1 1 38 38 THR CG2 C 13 24.217 0.400 . 1 . . . A 38 THR CG2 . 18352 1 458 . 1 1 38 38 THR N N 15 121.173 0.400 . 1 . . . A 38 THR N . 18352 1 459 . 1 1 39 39 PHE H H 1 8.462 0.020 . 1 . . . A 39 PHE H . 18352 1 460 . 1 1 39 39 PHE HA H 1 4.560 0.020 . 1 . . . A 39 PHE HA . 18352 1 461 . 1 1 39 39 PHE HB2 H 1 3.082 0.020 . 1 . . . A 39 PHE HB2 . 18352 1 462 . 1 1 39 39 PHE HB3 H 1 3.336 0.020 . 1 . . . A 39 PHE HB3 . 18352 1 463 . 1 1 39 39 PHE HD1 H 1 6.984 0.020 . 1 . . . A 39 PHE HD1 . 18352 1 464 . 1 1 39 39 PHE HD2 H 1 6.984 0.020 . 1 . . . A 39 PHE HD2 . 18352 1 465 . 1 1 39 39 PHE HE1 H 1 6.930 0.020 . 1 . . . A 39 PHE HE1 . 18352 1 466 . 1 1 39 39 PHE HE2 H 1 6.930 0.020 . 1 . . . A 39 PHE HE2 . 18352 1 467 . 1 1 39 39 PHE C C 13 177.858 0.400 . 1 . . . A 39 PHE C . 18352 1 468 . 1 1 39 39 PHE CA C 13 60.124 0.400 . 1 . . . A 39 PHE CA . 18352 1 469 . 1 1 39 39 PHE CB C 13 36.875 0.400 . 1 . . . A 39 PHE CB . 18352 1 470 . 1 1 39 39 PHE CD1 C 13 130.444 0.400 . 1 . . . A 39 PHE CD1 . 18352 1 471 . 1 1 39 39 PHE CD2 C 13 130.444 0.400 . 1 . . . A 39 PHE CD2 . 18352 1 472 . 1 1 39 39 PHE CE1 C 13 129.473 0.400 . 1 . . . A 39 PHE CE1 . 18352 1 473 . 1 1 39 39 PHE CE2 C 13 129.473 0.400 . 1 . . . A 39 PHE CE2 . 18352 1 474 . 1 1 39 39 PHE N N 15 120.581 0.400 . 1 . . . A 39 PHE N . 18352 1 475 . 1 1 40 40 ALA H H 1 8.348 0.020 . 1 . . . A 40 ALA H . 18352 1 476 . 1 1 40 40 ALA HA H 1 4.187 0.020 . 1 . . . A 40 ALA HA . 18352 1 477 . 1 1 40 40 ALA HB1 H 1 1.623 0.020 . 1 . . . A 40 ALA HB1 . 18352 1 478 . 1 1 40 40 ALA HB2 H 1 1.623 0.020 . 1 . . . A 40 ALA HB2 . 18352 1 479 . 1 1 40 40 ALA HB3 H 1 1.623 0.020 . 1 . . . A 40 ALA HB3 . 18352 1 480 . 1 1 40 40 ALA C C 13 180.276 0.400 . 1 . . . A 40 ALA C . 18352 1 481 . 1 1 40 40 ALA CA C 13 55.646 0.400 . 1 . . . A 40 ALA CA . 18352 1 482 . 1 1 40 40 ALA CB C 13 17.627 0.400 . 1 . . . A 40 ALA CB . 18352 1 483 . 1 1 40 40 ALA N N 15 122.682 0.400 . 1 . . . A 40 ALA N . 18352 1 484 . 1 1 41 41 TYR H H 1 7.949 0.020 . 1 . . . A 41 TYR H . 18352 1 485 . 1 1 41 41 TYR HA H 1 4.337 0.020 . 1 . . . A 41 TYR HA . 18352 1 486 . 1 1 41 41 TYR HB2 H 1 3.233 0.020 . 2 . . . A 41 TYR HB2 . 18352 1 487 . 1 1 41 41 TYR HB3 H 1 3.303 0.020 . 2 . . . A 41 TYR HB3 . 18352 1 488 . 1 1 41 41 TYR HD1 H 1 7.010 0.020 . 1 . . . A 41 TYR HD1 . 18352 1 489 . 1 1 41 41 TYR HD2 H 1 7.010 0.020 . 1 . . . A 41 TYR HD2 . 18352 1 490 . 1 1 41 41 TYR HE1 H 1 6.661 0.020 . 1 . . . A 41 TYR HE1 . 18352 1 491 . 1 1 41 41 TYR HE2 H 1 6.661 0.020 . 1 . . . A 41 TYR HE2 . 18352 1 492 . 1 1 41 41 TYR C C 13 177.958 0.400 . 1 . . . A 41 TYR C . 18352 1 493 . 1 1 41 41 TYR CA C 13 60.896 0.400 . 1 . . . A 41 TYR CA . 18352 1 494 . 1 1 41 41 TYR CB C 13 37.802 0.400 . 1 . . . A 41 TYR CB . 18352 1 495 . 1 1 41 41 TYR CD1 C 13 132.616 0.400 . 1 . . . A 41 TYR CD1 . 18352 1 496 . 1 1 41 41 TYR CD2 C 13 132.616 0.400 . 1 . . . A 41 TYR CD2 . 18352 1 497 . 1 1 41 41 TYR CE1 C 13 117.857 0.400 . 1 . . . A 41 TYR CE1 . 18352 1 498 . 1 1 41 41 TYR CE2 C 13 117.857 0.400 . 1 . . . A 41 TYR CE2 . 18352 1 499 . 1 1 41 41 TYR N N 15 122.330 0.400 . 1 . . . A 41 TYR N . 18352 1 500 . 1 1 42 42 LEU H H 1 8.634 0.020 . 1 . . . A 42 LEU H . 18352 1 501 . 1 1 42 42 LEU HA H 1 3.672 0.020 . 1 . . . A 42 LEU HA . 18352 1 502 . 1 1 42 42 LEU HB2 H 1 2.251 0.020 . 1 . . . A 42 LEU HB2 . 18352 1 503 . 1 1 42 42 LEU HB3 H 1 1.301 0.020 . 1 . . . A 42 LEU HB3 . 18352 1 504 . 1 1 42 42 LEU HG H 1 1.909 0.020 . 1 . . . A 42 LEU HG . 18352 1 505 . 1 1 42 42 LEU HD11 H 1 1.037 0.020 . 1 . . . A 42 LEU HD11 . 18352 1 506 . 1 1 42 42 LEU HD12 H 1 1.037 0.020 . 1 . . . A 42 LEU HD12 . 18352 1 507 . 1 1 42 42 LEU HD13 H 1 1.037 0.020 . 1 . . . A 42 LEU HD13 . 18352 1 508 . 1 1 42 42 LEU HD21 H 1 0.930 0.020 . 1 . . . A 42 LEU HD21 . 18352 1 509 . 1 1 42 42 LEU HD22 H 1 0.930 0.020 . 1 . . . A 42 LEU HD22 . 18352 1 510 . 1 1 42 42 LEU HD23 H 1 0.930 0.020 . 1 . . . A 42 LEU HD23 . 18352 1 511 . 1 1 42 42 LEU C C 13 177.938 0.400 . 1 . . . A 42 LEU C . 18352 1 512 . 1 1 42 42 LEU CA C 13 57.057 0.400 . 1 . . . A 42 LEU CA . 18352 1 513 . 1 1 42 42 LEU CB C 13 44.482 0.400 . 1 . . . A 42 LEU CB . 18352 1 514 . 1 1 42 42 LEU CG C 13 27.874 0.400 . 1 . . . A 42 LEU CG . 18352 1 515 . 1 1 42 42 LEU CD1 C 13 27.745 0.400 . 1 . . . A 42 LEU CD1 . 18352 1 516 . 1 1 42 42 LEU CD2 C 13 23.975 0.400 . 1 . . . A 42 LEU CD2 . 18352 1 517 . 1 1 42 42 LEU N N 15 119.851 0.400 . 1 . . . A 42 LEU N . 18352 1 518 . 1 1 43 43 ALA H H 1 8.592 0.020 . 1 . . . A 43 ALA H . 18352 1 519 . 1 1 43 43 ALA HA H 1 3.634 0.020 . 1 . . . A 43 ALA HA . 18352 1 520 . 1 1 43 43 ALA HB1 H 1 1.489 0.020 . 1 . . . A 43 ALA HB1 . 18352 1 521 . 1 1 43 43 ALA HB2 H 1 1.489 0.020 . 1 . . . A 43 ALA HB2 . 18352 1 522 . 1 1 43 43 ALA HB3 H 1 1.489 0.020 . 1 . . . A 43 ALA HB3 . 18352 1 523 . 1 1 43 43 ALA C C 13 179.107 0.400 . 1 . . . A 43 ALA C . 18352 1 524 . 1 1 43 43 ALA CA C 13 55.807 0.400 . 1 . . . A 43 ALA CA . 18352 1 525 . 1 1 43 43 ALA CB C 13 18.046 0.400 . 1 . . . A 43 ALA CB . 18352 1 526 . 1 1 43 43 ALA N N 15 121.912 0.400 . 1 . . . A 43 ALA N . 18352 1 527 . 1 1 44 44 ALA H H 1 7.280 0.020 . 1 . . . A 44 ALA H . 18352 1 528 . 1 1 44 44 ALA HA H 1 4.249 0.020 . 1 . . . A 44 ALA HA . 18352 1 529 . 1 1 44 44 ALA HB1 H 1 1.498 0.020 . 1 . . . A 44 ALA HB1 . 18352 1 530 . 1 1 44 44 ALA HB2 H 1 1.498 0.020 . 1 . . . A 44 ALA HB2 . 18352 1 531 . 1 1 44 44 ALA HB3 H 1 1.498 0.020 . 1 . . . A 44 ALA HB3 . 18352 1 532 . 1 1 44 44 ALA C C 13 180.176 0.400 . 1 . . . A 44 ALA C . 18352 1 533 . 1 1 44 44 ALA CA C 13 54.382 0.400 . 1 . . . A 44 ALA CA . 18352 1 534 . 1 1 44 44 ALA CB C 13 17.942 0.400 . 1 . . . A 44 ALA CB . 18352 1 535 . 1 1 44 44 ALA N N 15 118.200 0.400 . 1 . . . A 44 ALA N . 18352 1 536 . 1 1 45 45 LYS H H 1 7.647 0.020 . 1 . . . A 45 LYS H . 18352 1 537 . 1 1 45 45 LYS HA H 1 4.007 0.020 . 1 . . . A 45 LYS HA . 18352 1 538 . 1 1 45 45 LYS HB2 H 1 1.565 0.020 . 1 . . . A 45 LYS HB2 . 18352 1 539 . 1 1 45 45 LYS HB3 H 1 1.677 0.020 . 1 . . . A 45 LYS HB3 . 18352 1 540 . 1 1 45 45 LYS HG2 H 1 1.291 0.020 . 2 . . . A 45 LYS HG2 . 18352 1 541 . 1 1 45 45 LYS HG3 H 1 1.218 0.020 . 2 . . . A 45 LYS HG3 . 18352 1 542 . 1 1 45 45 LYS HD2 H 1 1.472 0.020 . 1 . . . A 45 LYS HD2 . 18352 1 543 . 1 1 45 45 LYS HD3 H 1 1.472 0.020 . 1 . . . A 45 LYS HD3 . 18352 1 544 . 1 1 45 45 LYS HE2 H 1 2.929 0.020 . 1 . . . A 45 LYS HE2 . 18352 1 545 . 1 1 45 45 LYS HE3 H 1 2.929 0.020 . 1 . . . A 45 LYS HE3 . 18352 1 546 . 1 1 45 45 LYS C C 13 178.078 0.400 . 1 . . . A 45 LYS C . 18352 1 547 . 1 1 45 45 LYS CA C 13 58.041 0.400 . 1 . . . A 45 LYS CA . 18352 1 548 . 1 1 45 45 LYS CB C 13 32.909 0.400 . 1 . . . A 45 LYS CB . 18352 1 549 . 1 1 45 45 LYS CG C 13 24.219 0.400 . 1 . . . A 45 LYS CG . 18352 1 550 . 1 1 45 45 LYS CD C 13 28.681 0.400 . 1 . . . A 45 LYS CD . 18352 1 551 . 1 1 45 45 LYS CE C 13 41.703 0.400 . 1 . . . A 45 LYS CE . 18352 1 552 . 1 1 45 45 LYS N N 15 118.122 0.400 . 1 . . . A 45 LYS N . 18352 1 553 . 1 1 46 46 LEU H H 1 8.257 0.020 . 1 . . . A 46 LEU H . 18352 1 554 . 1 1 46 46 LEU HA H 1 4.425 0.020 . 1 . . . A 46 LEU HA . 18352 1 555 . 1 1 46 46 LEU HB2 H 1 1.570 0.020 . 1 . . . A 46 LEU HB2 . 18352 1 556 . 1 1 46 46 LEU HB3 H 1 1.667 0.020 . 1 . . . A 46 LEU HB3 . 18352 1 557 . 1 1 46 46 LEU HG H 1 1.811 0.020 . 1 . . . A 46 LEU HG . 18352 1 558 . 1 1 46 46 LEU HD11 H 1 1.000 0.020 . 1 . . . A 46 LEU HD11 . 18352 1 559 . 1 1 46 46 LEU HD12 H 1 1.000 0.020 . 1 . . . A 46 LEU HD12 . 18352 1 560 . 1 1 46 46 LEU HD13 H 1 1.000 0.020 . 1 . . . A 46 LEU HD13 . 18352 1 561 . 1 1 46 46 LEU HD21 H 1 0.998 0.020 . 1 . . . A 46 LEU HD21 . 18352 1 562 . 1 1 46 46 LEU HD22 H 1 0.998 0.020 . 1 . . . A 46 LEU HD22 . 18352 1 563 . 1 1 46 46 LEU HD23 H 1 0.998 0.020 . 1 . . . A 46 LEU HD23 . 18352 1 564 . 1 1 46 46 LEU C C 13 176.310 0.400 . 1 . . . A 46 LEU C . 18352 1 565 . 1 1 46 46 LEU CA C 13 54.220 0.400 . 1 . . . A 46 LEU CA . 18352 1 566 . 1 1 46 46 LEU CB C 13 42.467 0.400 . 1 . . . A 46 LEU CB . 18352 1 567 . 1 1 46 46 LEU CG C 13 26.887 0.400 . 1 . . . A 46 LEU CG . 18352 1 568 . 1 1 46 46 LEU CD1 C 13 26.608 0.400 . 1 . . . A 46 LEU CD1 . 18352 1 569 . 1 1 46 46 LEU CD2 C 13 21.681 0.400 . 1 . . . A 46 LEU CD2 . 18352 1 570 . 1 1 46 46 LEU N N 15 115.024 0.400 . 1 . . . A 46 LEU N . 18352 1 571 . 1 1 47 47 ASP H H 1 7.766 0.020 . 1 . . . A 47 ASP H . 18352 1 572 . 1 1 47 47 ASP HA H 1 4.394 0.020 . 1 . . . A 47 ASP HA . 18352 1 573 . 1 1 47 47 ASP HB2 H 1 3.137 0.020 . 2 . . . A 47 ASP HB2 . 18352 1 574 . 1 1 47 47 ASP HB3 H 1 2.498 0.020 . 2 . . . A 47 ASP HB3 . 18352 1 575 . 1 1 47 47 ASP C C 13 174.592 0.400 . 1 . . . A 47 ASP C . 18352 1 576 . 1 1 47 47 ASP CA C 13 55.299 0.400 . 1 . . . A 47 ASP CA . 18352 1 577 . 1 1 47 47 ASP CB C 13 38.725 0.400 . 1 . . . A 47 ASP CB . 18352 1 578 . 1 1 47 47 ASP N N 15 120.263 0.400 . 1 . . . A 47 ASP N . 18352 1 579 . 1 1 48 48 LYS H H 1 8.377 0.020 . 1 . . . A 48 LYS H . 18352 1 580 . 1 1 48 48 LYS HA H 1 4.758 0.020 . 1 . . . A 48 LYS HA . 18352 1 581 . 1 1 48 48 LYS HB2 H 1 1.289 0.020 . 1 . . . A 48 LYS HB2 . 18352 1 582 . 1 1 48 48 LYS HB3 H 1 2.063 0.020 . 1 . . . A 48 LYS HB3 . 18352 1 583 . 1 1 48 48 LYS HG2 H 1 1.243 0.020 . 1 . . . A 48 LYS HG2 . 18352 1 584 . 1 1 48 48 LYS HG3 H 1 1.243 0.020 . 1 . . . A 48 LYS HG3 . 18352 1 585 . 1 1 48 48 LYS HD2 H 1 1.533 0.020 . 1 . . . A 48 LYS HD2 . 18352 1 586 . 1 1 48 48 LYS HD3 H 1 1.533 0.020 . 1 . . . A 48 LYS HD3 . 18352 1 587 . 1 1 48 48 LYS HE2 H 1 2.267 0.020 . 2 . . . A 48 LYS HE2 . 18352 1 588 . 1 1 48 48 LYS HE3 H 1 1.926 0.020 . 2 . . . A 48 LYS HE3 . 18352 1 589 . 1 1 48 48 LYS C C 13 174.721 0.400 . 1 . . . A 48 LYS C . 18352 1 590 . 1 1 48 48 LYS CA C 13 52.641 0.400 . 1 . . . A 48 LYS CA . 18352 1 591 . 1 1 48 48 LYS CB C 13 37.685 0.400 . 1 . . . A 48 LYS CB . 18352 1 592 . 1 1 48 48 LYS CG C 13 24.514 0.400 . 1 . . . A 48 LYS CG . 18352 1 593 . 1 1 48 48 LYS CD C 13 28.745 0.400 . 1 . . . A 48 LYS CD . 18352 1 594 . 1 1 48 48 LYS CE C 13 41.926 0.400 . 1 . . . A 48 LYS CE . 18352 1 595 . 1 1 48 48 LYS N N 15 117.778 0.400 . 1 . . . A 48 LYS N . 18352 1 596 . 1 1 49 49 ASN H H 1 8.409 0.020 . 1 . . . A 49 ASN H . 18352 1 597 . 1 1 49 49 ASN HA H 1 5.289 0.020 . 1 . . . A 49 ASN HA . 18352 1 598 . 1 1 49 49 ASN HB2 H 1 2.929 0.020 . 2 . . . A 49 ASN HB2 . 18352 1 599 . 1 1 49 49 ASN HB3 H 1 2.774 0.020 . 2 . . . A 49 ASN HB3 . 18352 1 600 . 1 1 49 49 ASN HD21 H 1 7.140 0.020 . 2 . . . A 49 ASN HD21 . 18352 1 601 . 1 1 49 49 ASN HD22 H 1 7.701 0.020 . 2 . . . A 49 ASN HD22 . 18352 1 602 . 1 1 49 49 ASN CA C 13 51.401 0.400 . 1 . . . A 49 ASN CA . 18352 1 603 . 1 1 49 49 ASN CB C 13 38.666 0.400 . 1 . . . A 49 ASN CB . 18352 1 604 . 1 1 49 49 ASN N N 15 117.856 0.400 . 1 . . . A 49 ASN N . 18352 1 605 . 1 1 49 49 ASN ND2 N 15 114.438 0.400 . 1 . . . A 49 ASN ND2 . 18352 1 606 . 1 1 50 50 PRO HA H 1 4.050 0.020 . 1 . . . A 50 PRO HA . 18352 1 607 . 1 1 50 50 PRO HB2 H 1 2.061 0.020 . 2 . . . A 50 PRO HB2 . 18352 1 608 . 1 1 50 50 PRO HB3 H 1 2.288 0.020 . 2 . . . A 50 PRO HB3 . 18352 1 609 . 1 1 50 50 PRO HG2 H 1 2.288 0.020 . 2 . . . A 50 PRO HG2 . 18352 1 610 . 1 1 50 50 PRO HG3 H 1 1.956 0.020 . 2 . . . A 50 PRO HG3 . 18352 1 611 . 1 1 50 50 PRO HD2 H 1 3.911 0.020 . 1 . . . A 50 PRO HD2 . 18352 1 612 . 1 1 50 50 PRO HD3 H 1 3.911 0.020 . 1 . . . A 50 PRO HD3 . 18352 1 613 . 1 1 50 50 PRO C C 13 177.958 0.400 . 1 . . . A 50 PRO C . 18352 1 614 . 1 1 50 50 PRO CA C 13 66.654 0.400 . 1 . . . A 50 PRO CA . 18352 1 615 . 1 1 50 50 PRO CB C 13 32.104 0.400 . 1 . . . A 50 PRO CB . 18352 1 616 . 1 1 50 50 PRO CG C 13 28.086 0.400 . 1 . . . A 50 PRO CG . 18352 1 617 . 1 1 50 50 PRO CD C 13 50.480 0.400 . 1 . . . A 50 PRO CD . 18352 1 618 . 1 1 51 51 ASN H H 1 8.505 0.020 . 1 . . . A 51 ASN H . 18352 1 619 . 1 1 51 51 ASN HA H 1 4.429 0.020 . 1 . . . A 51 ASN HA . 18352 1 620 . 1 1 51 51 ASN HB2 H 1 2.826 0.020 . 1 . . . A 51 ASN HB2 . 18352 1 621 . 1 1 51 51 ASN HB3 H 1 2.826 0.020 . 1 . . . A 51 ASN HB3 . 18352 1 622 . 1 1 51 51 ASN HD21 H 1 6.993 0.020 . 2 . . . A 51 ASN HD21 . 18352 1 623 . 1 1 51 51 ASN HD22 H 1 7.670 0.020 . 2 . . . A 51 ASN HD22 . 18352 1 624 . 1 1 51 51 ASN C C 13 177.798 0.400 . 1 . . . A 51 ASN C . 18352 1 625 . 1 1 51 51 ASN CA C 13 55.983 0.400 . 1 . . . A 51 ASN CA . 18352 1 626 . 1 1 51 51 ASN CB C 13 37.649 0.400 . 1 . . . A 51 ASN CB . 18352 1 627 . 1 1 51 51 ASN N N 15 115.567 0.400 . 1 . . . A 51 ASN N . 18352 1 628 . 1 1 51 51 ASN ND2 N 15 113.687 0.400 . 1 . . . A 51 ASN ND2 . 18352 1 629 . 1 1 52 52 GLN H H 1 7.869 0.020 . 1 . . . A 52 GLN H . 18352 1 630 . 1 1 52 52 GLN HA H 1 4.276 0.020 . 1 . . . A 52 GLN HA . 18352 1 631 . 1 1 52 52 GLN HB2 H 1 2.695 0.020 . 2 . . . A 52 GLN HB2 . 18352 1 632 . 1 1 52 52 GLN HB3 H 1 2.196 0.020 . 2 . . . A 52 GLN HB3 . 18352 1 633 . 1 1 52 52 GLN HG2 H 1 2.607 0.020 . 1 . . . A 52 GLN HG2 . 18352 1 634 . 1 1 52 52 GLN HG3 H 1 2.607 0.020 . 1 . . . A 52 GLN HG3 . 18352 1 635 . 1 1 52 52 GLN HE21 H 1 7.694 0.020 . 2 . . . A 52 GLN HE21 . 18352 1 636 . 1 1 52 52 GLN HE22 H 1 6.736 0.020 . 2 . . . A 52 GLN HE22 . 18352 1 637 . 1 1 52 52 GLN C C 13 179.227 0.400 . 1 . . . A 52 GLN C . 18352 1 638 . 1 1 52 52 GLN CA C 13 58.269 0.400 . 1 . . . A 52 GLN CA . 18352 1 639 . 1 1 52 52 GLN CB C 13 28.203 0.400 . 1 . . . A 52 GLN CB . 18352 1 640 . 1 1 52 52 GLN CG C 13 34.310 0.400 . 1 . . . A 52 GLN CG . 18352 1 641 . 1 1 52 52 GLN N N 15 119.145 0.400 . 1 . . . A 52 GLN N . 18352 1 642 . 1 1 52 52 GLN NE2 N 15 111.569 0.400 . 1 . . . A 52 GLN NE2 . 18352 1 643 . 1 1 53 53 VAL H H 1 7.629 0.020 . 1 . . . A 53 VAL H . 18352 1 644 . 1 1 53 53 VAL HA H 1 3.562 0.020 . 1 . . . A 53 VAL HA . 18352 1 645 . 1 1 53 53 VAL HB H 1 2.206 0.020 . 1 . . . A 53 VAL HB . 18352 1 646 . 1 1 53 53 VAL HG11 H 1 1.080 0.020 . 1 . . . A 53 VAL HG11 . 18352 1 647 . 1 1 53 53 VAL HG12 H 1 1.080 0.020 . 1 . . . A 53 VAL HG12 . 18352 1 648 . 1 1 53 53 VAL HG13 H 1 1.080 0.020 . 1 . . . A 53 VAL HG13 . 18352 1 649 . 1 1 53 53 VAL HG21 H 1 1.085 0.020 . 1 . . . A 53 VAL HG21 . 18352 1 650 . 1 1 53 53 VAL HG22 H 1 1.085 0.020 . 1 . . . A 53 VAL HG22 . 18352 1 651 . 1 1 53 53 VAL HG23 H 1 1.085 0.020 . 1 . . . A 53 VAL HG23 . 18352 1 652 . 1 1 53 53 VAL C C 13 176.440 0.400 . 1 . . . A 53 VAL C . 18352 1 653 . 1 1 53 53 VAL CA C 13 66.425 0.400 . 1 . . . A 53 VAL CA . 18352 1 654 . 1 1 53 53 VAL CB C 13 31.633 0.400 . 1 . . . A 53 VAL CB . 18352 1 655 . 1 1 53 53 VAL CG1 C 13 23.253 0.400 . 1 . . . A 53 VAL CG1 . 18352 1 656 . 1 1 53 53 VAL CG2 C 13 22.170 0.400 . 1 . . . A 53 VAL CG2 . 18352 1 657 . 1 1 53 53 VAL N N 15 118.085 0.400 . 1 . . . A 53 VAL N . 18352 1 658 . 1 1 54 54 SER H H 1 7.787 0.020 . 1 . . . A 54 SER H . 18352 1 659 . 1 1 54 54 SER HA H 1 2.854 0.020 . 1 . . . A 54 SER HA . 18352 1 660 . 1 1 54 54 SER HB2 H 1 3.097 0.020 . 2 . . . A 54 SER HB2 . 18352 1 661 . 1 1 54 54 SER HB3 H 1 3.344 0.020 . 2 . . . A 54 SER HB3 . 18352 1 662 . 1 1 54 54 SER C C 13 177.149 0.400 . 1 . . . A 54 SER C . 18352 1 663 . 1 1 54 54 SER CA C 13 60.423 0.400 . 1 . . . A 54 SER CA . 18352 1 664 . 1 1 54 54 SER CB C 13 62.048 0.400 . 1 . . . A 54 SER CB . 18352 1 665 . 1 1 54 54 SER N N 15 114.255 0.400 . 1 . . . A 54 SER N . 18352 1 666 . 1 1 55 55 GLU H H 1 7.772 0.020 . 1 . . . A 55 GLU H . 18352 1 667 . 1 1 55 55 GLU HA H 1 3.948 0.020 . 1 . . . A 55 GLU HA . 18352 1 668 . 1 1 55 55 GLU HB2 H 1 2.044 0.020 . 2 . . . A 55 GLU HB2 . 18352 1 669 . 1 1 55 55 GLU HB3 H 1 2.106 0.020 . 2 . . . A 55 GLU HB3 . 18352 1 670 . 1 1 55 55 GLU HG2 H 1 2.396 0.020 . 2 . . . A 55 GLU HG2 . 18352 1 671 . 1 1 55 55 GLU HG3 H 1 2.203 0.020 . 2 . . . A 55 GLU HG3 . 18352 1 672 . 1 1 55 55 GLU C C 13 178.837 0.400 . 1 . . . A 55 GLU C . 18352 1 673 . 1 1 55 55 GLU CA C 13 59.002 0.400 . 1 . . . A 55 GLU CA . 18352 1 674 . 1 1 55 55 GLU CB C 13 29.355 0.400 . 1 . . . A 55 GLU CB . 18352 1 675 . 1 1 55 55 GLU CG C 13 36.516 0.400 . 1 . . . A 55 GLU CG . 18352 1 676 . 1 1 55 55 GLU N N 15 119.888 0.400 . 1 . . . A 55 GLU N . 18352 1 677 . 1 1 56 56 ARG H H 1 7.869 0.020 . 1 . . . A 56 ARG H . 18352 1 678 . 1 1 56 56 ARG HA H 1 3.854 0.020 . 1 . . . A 56 ARG HA . 18352 1 679 . 1 1 56 56 ARG HB2 H 1 1.001 0.020 . 1 . . . A 56 ARG HB2 . 18352 1 680 . 1 1 56 56 ARG HB3 H 1 1.379 0.020 . 1 . . . A 56 ARG HB3 . 18352 1 681 . 1 1 56 56 ARG HG2 H 1 0.818 0.020 . 2 . . . A 56 ARG HG2 . 18352 1 682 . 1 1 56 56 ARG HG3 H 1 -0.153 0.020 . 2 . . . A 56 ARG HG3 . 18352 1 683 . 1 1 56 56 ARG HD2 H 1 2.971 0.020 . 2 . . . A 56 ARG HD2 . 18352 1 684 . 1 1 56 56 ARG HD3 H 1 1.528 0.020 . 2 . . . A 56 ARG HD3 . 18352 1 685 . 1 1 56 56 ARG C C 13 177.868 0.400 . 1 . . . A 56 ARG C . 18352 1 686 . 1 1 56 56 ARG CA C 13 56.623 0.400 . 1 . . . A 56 ARG CA . 18352 1 687 . 1 1 56 56 ARG CB C 13 29.570 0.400 . 1 . . . A 56 ARG CB . 18352 1 688 . 1 1 56 56 ARG CG C 13 23.699 0.400 . 1 . . . A 56 ARG CG . 18352 1 689 . 1 1 56 56 ARG CD C 13 43.014 0.400 . 1 . . . A 56 ARG CD . 18352 1 690 . 1 1 56 56 ARG N N 15 120.935 0.400 . 1 . . . A 56 ARG N . 18352 1 691 . 1 1 57 57 PHE H H 1 8.536 0.020 . 1 . . . A 57 PHE H . 18352 1 692 . 1 1 57 57 PHE HA H 1 3.936 0.020 . 1 . . . A 57 PHE HA . 18352 1 693 . 1 1 57 57 PHE HB2 H 1 3.009 0.020 . 1 . . . A 57 PHE HB2 . 18352 1 694 . 1 1 57 57 PHE HB3 H 1 3.166 0.020 . 1 . . . A 57 PHE HB3 . 18352 1 695 . 1 1 57 57 PHE HD1 H 1 7.171 0.020 . 1 . . . A 57 PHE HD1 . 18352 1 696 . 1 1 57 57 PHE HD2 H 1 7.171 0.020 . 1 . . . A 57 PHE HD2 . 18352 1 697 . 1 1 57 57 PHE HE1 H 1 7.396 0.020 . 1 . . . A 57 PHE HE1 . 18352 1 698 . 1 1 57 57 PHE HE2 H 1 7.396 0.020 . 1 . . . A 57 PHE HE2 . 18352 1 699 . 1 1 57 57 PHE C C 13 176.230 0.400 . 1 . . . A 57 PHE C . 18352 1 700 . 1 1 57 57 PHE CA C 13 62.009 0.400 . 1 . . . A 57 PHE CA . 18352 1 701 . 1 1 57 57 PHE CB C 13 38.604 0.400 . 1 . . . A 57 PHE CB . 18352 1 702 . 1 1 57 57 PHE CG C 13 23.483 0.400 . 1 . . . A 57 PHE CG . 18352 1 703 . 1 1 57 57 PHE CD1 C 13 131.763 0.400 . 1 . . . A 57 PHE CD1 . 18352 1 704 . 1 1 57 57 PHE CD2 C 13 131.763 0.400 . 1 . . . A 57 PHE CD2 . 18352 1 705 . 1 1 57 57 PHE CE1 C 13 130.993 0.400 . 1 . . . A 57 PHE CE1 . 18352 1 706 . 1 1 57 57 PHE CE2 C 13 130.993 0.400 . 1 . . . A 57 PHE CE2 . 18352 1 707 . 1 1 57 57 PHE N N 15 119.231 0.400 . 1 . . . A 57 PHE N . 18352 1 708 . 1 1 58 58 GLN H H 1 7.761 0.020 . 1 . . . A 58 GLN H . 18352 1 709 . 1 1 58 58 GLN HA H 1 3.623 0.020 . 1 . . . A 58 GLN HA . 18352 1 710 . 1 1 58 58 GLN HB2 H 1 2.149 0.020 . 2 . . . A 58 GLN HB2 . 18352 1 711 . 1 1 58 58 GLN HB3 H 1 2.107 0.020 . 2 . . . A 58 GLN HB3 . 18352 1 712 . 1 1 58 58 GLN HG2 H 1 2.498 0.020 . 2 . . . A 58 GLN HG2 . 18352 1 713 . 1 1 58 58 GLN HG3 H 1 2.605 0.020 . 2 . . . A 58 GLN HG3 . 18352 1 714 . 1 1 58 58 GLN HE21 H 1 6.928 0.020 . 2 . . . A 58 GLN HE21 . 18352 1 715 . 1 1 58 58 GLN HE22 H 1 7.498 0.020 . 2 . . . A 58 GLN HE22 . 18352 1 716 . 1 1 58 58 GLN C C 13 178.968 0.400 . 1 . . . A 58 GLN C . 18352 1 717 . 1 1 58 58 GLN CA C 13 58.789 0.400 . 1 . . . A 58 GLN CA . 18352 1 718 . 1 1 58 58 GLN CB C 13 28.020 0.400 . 1 . . . A 58 GLN CB . 18352 1 719 . 1 1 58 58 GLN CG C 13 33.823 0.400 . 1 . . . A 58 GLN CG . 18352 1 720 . 1 1 58 58 GLN N N 15 116.044 0.400 . 1 . . . A 58 GLN N . 18352 1 721 . 1 1 58 58 GLN NE2 N 15 111.953 0.400 . 1 . . . A 58 GLN NE2 . 18352 1 722 . 1 1 59 59 GLN H H 1 7.877 0.020 . 1 . . . A 59 GLN H . 18352 1 723 . 1 1 59 59 GLN HA H 1 3.914 0.020 . 1 . . . A 59 GLN HA . 18352 1 724 . 1 1 59 59 GLN HB2 H 1 2.204 0.020 . 2 . . . A 59 GLN HB2 . 18352 1 725 . 1 1 59 59 GLN HB3 H 1 1.937 0.020 . 2 . . . A 59 GLN HB3 . 18352 1 726 . 1 1 59 59 GLN HG2 H 1 2.355 0.020 . 2 . . . A 59 GLN HG2 . 18352 1 727 . 1 1 59 59 GLN HG3 H 1 2.540 0.020 . 2 . . . A 59 GLN HG3 . 18352 1 728 . 1 1 59 59 GLN HE21 H 1 7.463 0.020 . 2 . . . A 59 GLN HE21 . 18352 1 729 . 1 1 59 59 GLN HE22 H 1 6.767 0.020 . 2 . . . A 59 GLN HE22 . 18352 1 730 . 1 1 59 59 GLN C C 13 179.382 0.400 . 1 . . . A 59 GLN C . 18352 1 731 . 1 1 59 59 GLN CA C 13 58.776 0.400 . 1 . . . A 59 GLN CA . 18352 1 732 . 1 1 59 59 GLN CB C 13 28.065 0.400 . 1 . . . A 59 GLN CB . 18352 1 733 . 1 1 59 59 GLN CG C 13 33.382 0.400 . 1 . . . A 59 GLN CG . 18352 1 734 . 1 1 59 59 GLN N N 15 119.201 0.400 . 1 . . . A 59 GLN N . 18352 1 735 . 1 1 59 59 GLN NE2 N 15 111.094 0.400 . 1 . . . A 59 GLN NE2 . 18352 1 736 . 1 1 60 60 LEU H H 1 8.499 0.020 . 1 . . . A 60 LEU H . 18352 1 737 . 1 1 60 60 LEU HA H 1 3.878 0.020 . 1 . . . A 60 LEU HA . 18352 1 738 . 1 1 60 60 LEU HB2 H 1 1.209 0.020 . 1 . . . A 60 LEU HB2 . 18352 1 739 . 1 1 60 60 LEU HB3 H 1 1.823 0.020 . 1 . . . A 60 LEU HB3 . 18352 1 740 . 1 1 60 60 LEU HG H 1 1.531 0.020 . 1 . . . A 60 LEU HG . 18352 1 741 . 1 1 60 60 LEU HD11 H 1 0.770 0.020 . 1 . . . A 60 LEU HD11 . 18352 1 742 . 1 1 60 60 LEU HD12 H 1 0.770 0.020 . 1 . . . A 60 LEU HD12 . 18352 1 743 . 1 1 60 60 LEU HD13 H 1 0.770 0.020 . 1 . . . A 60 LEU HD13 . 18352 1 744 . 1 1 60 60 LEU HD21 H 1 0.670 0.020 . 1 . . . A 60 LEU HD21 . 18352 1 745 . 1 1 60 60 LEU HD22 H 1 0.670 0.020 . 1 . . . A 60 LEU HD22 . 18352 1 746 . 1 1 60 60 LEU HD23 H 1 0.670 0.020 . 1 . . . A 60 LEU HD23 . 18352 1 747 . 1 1 60 60 LEU C C 13 179.627 0.400 . 1 . . . A 60 LEU C . 18352 1 748 . 1 1 60 60 LEU CA C 13 57.401 0.400 . 1 . . . A 60 LEU CA . 18352 1 749 . 1 1 60 60 LEU CB C 13 42.124 0.400 . 1 . . . A 60 LEU CB . 18352 1 750 . 1 1 60 60 LEU CG C 13 26.405 0.400 . 1 . . . A 60 LEU CG . 18352 1 751 . 1 1 60 60 LEU CD1 C 13 25.652 0.400 . 1 . . . A 60 LEU CD1 . 18352 1 752 . 1 1 60 60 LEU CD2 C 13 21.293 0.400 . 1 . . . A 60 LEU CD2 . 18352 1 753 . 1 1 60 60 LEU N N 15 120.552 0.400 . 1 . . . A 60 LEU N . 18352 1 754 . 1 1 61 61 MET H H 1 7.995 0.020 . 1 . . . A 61 MET H . 18352 1 755 . 1 1 61 61 MET HA H 1 4.302 0.020 . 1 . . . A 61 MET HA . 18352 1 756 . 1 1 61 61 MET HB2 H 1 1.743 0.020 . 1 . . . A 61 MET HB2 . 18352 1 757 . 1 1 61 61 MET HB3 H 1 1.743 0.020 . 1 . . . A 61 MET HB3 . 18352 1 758 . 1 1 61 61 MET HG2 H 1 1.595 0.020 . 2 . . . A 61 MET HG2 . 18352 1 759 . 1 1 61 61 MET HG3 H 1 2.008 0.020 . 2 . . . A 61 MET HG3 . 18352 1 760 . 1 1 61 61 MET HE1 H 1 1.855 0.020 . 1 . . . A 61 MET HE1 . 18352 1 761 . 1 1 61 61 MET HE2 H 1 1.855 0.020 . 1 . . . A 61 MET HE2 . 18352 1 762 . 1 1 61 61 MET HE3 H 1 1.855 0.020 . 1 . . . A 61 MET HE3 . 18352 1 763 . 1 1 61 61 MET C C 13 179.047 0.400 . 1 . . . A 61 MET C . 18352 1 764 . 1 1 61 61 MET CA C 13 56.406 0.400 . 1 . . . A 61 MET CA . 18352 1 765 . 1 1 61 61 MET CB C 13 31.326 0.400 . 1 . . . A 61 MET CB . 18352 1 766 . 1 1 61 61 MET CG C 13 32.389 0.400 . 1 . . . A 61 MET CG . 18352 1 767 . 1 1 61 61 MET CE C 13 17.273 0.400 . 1 . . . A 61 MET CE . 18352 1 768 . 1 1 61 61 MET N N 15 117.426 0.400 . 1 . . . A 61 MET N . 18352 1 769 . 1 1 62 62 LYS H H 1 7.550 0.020 . 1 . . . A 62 LYS H . 18352 1 770 . 1 1 62 62 LYS HA H 1 4.085 0.020 . 1 . . . A 62 LYS HA . 18352 1 771 . 1 1 62 62 LYS HB2 H 1 1.856 0.020 . 1 . . . A 62 LYS HB2 . 18352 1 772 . 1 1 62 62 LYS HB3 H 1 1.856 0.020 . 1 . . . A 62 LYS HB3 . 18352 1 773 . 1 1 62 62 LYS HG2 H 1 1.417 0.020 . 1 . . . A 62 LYS HG2 . 18352 1 774 . 1 1 62 62 LYS HG3 H 1 1.417 0.020 . 1 . . . A 62 LYS HG3 . 18352 1 775 . 1 1 62 62 LYS HD2 H 1 1.668 0.020 . 1 . . . A 62 LYS HD2 . 18352 1 776 . 1 1 62 62 LYS HD3 H 1 1.668 0.020 . 1 . . . A 62 LYS HD3 . 18352 1 777 . 1 1 62 62 LYS HE2 H 1 2.974 0.020 . 1 . . . A 62 LYS HE2 . 18352 1 778 . 1 1 62 62 LYS HE3 H 1 2.974 0.020 . 1 . . . A 62 LYS HE3 . 18352 1 779 . 1 1 62 62 LYS C C 13 178.758 0.400 . 1 . . . A 62 LYS C . 18352 1 780 . 1 1 62 62 LYS CA C 13 58.354 0.400 . 1 . . . A 62 LYS CA . 18352 1 781 . 1 1 62 62 LYS CB C 13 31.951 0.400 . 1 . . . A 62 LYS CB . 18352 1 782 . 1 1 62 62 LYS CG C 13 25.110 0.400 . 1 . . . A 62 LYS CG . 18352 1 783 . 1 1 62 62 LYS CD C 13 28.976 0.400 . 1 . . . A 62 LYS CD . 18352 1 784 . 1 1 62 62 LYS CE C 13 42.097 0.400 . 1 . . . A 62 LYS CE . 18352 1 785 . 1 1 62 62 LYS N N 15 119.575 0.400 . 1 . . . A 62 LYS N . 18352 1 786 . 1 1 63 63 LEU H H 1 7.610 0.020 . 1 . . . A 63 LEU H . 18352 1 787 . 1 1 63 63 LEU HA H 1 4.084 0.020 . 1 . . . A 63 LEU HA . 18352 1 788 . 1 1 63 63 LEU HB2 H 1 1.670 0.020 . 1 . . . A 63 LEU HB2 . 18352 1 789 . 1 1 63 63 LEU HB3 H 1 1.395 0.020 . 1 . . . A 63 LEU HB3 . 18352 1 790 . 1 1 63 63 LEU HG H 1 1.618 0.020 . 1 . . . A 63 LEU HG . 18352 1 791 . 1 1 63 63 LEU HD11 H 1 0.828 0.020 . 1 . . . A 63 LEU HD11 . 18352 1 792 . 1 1 63 63 LEU HD12 H 1 0.828 0.020 . 1 . . . A 63 LEU HD12 . 18352 1 793 . 1 1 63 63 LEU HD13 H 1 0.828 0.020 . 1 . . . A 63 LEU HD13 . 18352 1 794 . 1 1 63 63 LEU HD21 H 1 0.786 0.020 . 1 . . . A 63 LEU HD21 . 18352 1 795 . 1 1 63 63 LEU HD22 H 1 0.786 0.020 . 1 . . . A 63 LEU HD22 . 18352 1 796 . 1 1 63 63 LEU HD23 H 1 0.786 0.020 . 1 . . . A 63 LEU HD23 . 18352 1 797 . 1 1 63 63 LEU C C 13 178.936 0.400 . 1 . . . A 63 LEU C . 18352 1 798 . 1 1 63 63 LEU CA C 13 56.765 0.400 . 1 . . . A 63 LEU CA . 18352 1 799 . 1 1 63 63 LEU CB C 13 41.734 0.400 . 1 . . . A 63 LEU CB . 18352 1 800 . 1 1 63 63 LEU CG C 13 26.739 0.400 . 1 . . . A 63 LEU CG . 18352 1 801 . 1 1 63 63 LEU CD1 C 13 24.799 0.400 . 1 . . . A 63 LEU CD1 . 18352 1 802 . 1 1 63 63 LEU CD2 C 13 22.911 0.400 . 1 . . . A 63 LEU CD2 . 18352 1 803 . 1 1 63 63 LEU N N 15 119.231 0.400 . 1 . . . A 63 LEU N . 18352 1 804 . 1 1 64 64 PHE H H 1 7.886 0.020 . 1 . . . A 64 PHE H . 18352 1 805 . 1 1 64 64 PHE HA H 1 4.489 0.020 . 1 . . . A 64 PHE HA . 18352 1 806 . 1 1 64 64 PHE HB2 H 1 3.271 0.020 . 2 . . . A 64 PHE HB2 . 18352 1 807 . 1 1 64 64 PHE HB3 H 1 3.070 0.020 . 2 . . . A 64 PHE HB3 . 18352 1 808 . 1 1 64 64 PHE HD1 H 1 7.287 0.020 . 1 . . . A 64 PHE HD1 . 18352 1 809 . 1 1 64 64 PHE HD2 H 1 7.287 0.020 . 1 . . . A 64 PHE HD2 . 18352 1 810 . 1 1 64 64 PHE C C 13 177.089 0.400 . 1 . . . A 64 PHE C . 18352 1 811 . 1 1 64 64 PHE CA C 13 58.937 0.400 . 1 . . . A 64 PHE CA . 18352 1 812 . 1 1 64 64 PHE CB C 13 39.056 0.400 . 1 . . . A 64 PHE CB . 18352 1 813 . 1 1 64 64 PHE CD1 C 13 131.347 0.400 . 1 . . . A 64 PHE CD1 . 18352 1 814 . 1 1 64 64 PHE CD2 C 13 131.346 0.400 . 1 . . . A 64 PHE CD2 . 18352 1 815 . 1 1 64 64 PHE N N 15 119.148 0.400 . 1 . . . A 64 PHE N . 18352 1 816 . 1 1 65 65 GLU H H 1 7.998 0.020 . 1 . . . A 65 GLU H . 18352 1 817 . 1 1 65 65 GLU HA H 1 4.081 0.020 . 1 . . . A 65 GLU HA . 18352 1 818 . 1 1 65 65 GLU HB2 H 1 2.073 0.020 . 1 . . . A 65 GLU HB2 . 18352 1 819 . 1 1 65 65 GLU HB3 H 1 2.073 0.020 . 1 . . . A 65 GLU HB3 . 18352 1 820 . 1 1 65 65 GLU HG2 H 1 2.357 0.020 . 2 . . . A 65 GLU HG2 . 18352 1 821 . 1 1 65 65 GLU HG3 H 1 2.281 0.020 . 2 . . . A 65 GLU HG3 . 18352 1 822 . 1 1 65 65 GLU C C 13 177.519 0.400 . 1 . . . A 65 GLU C . 18352 1 823 . 1 1 65 65 GLU CA C 13 58.161 0.400 . 1 . . . A 65 GLU CA . 18352 1 824 . 1 1 65 65 GLU CB C 13 29.941 0.400 . 1 . . . A 65 GLU CB . 18352 1 825 . 1 1 65 65 GLU CG C 13 36.168 0.400 . 1 . . . A 65 GLU CG . 18352 1 826 . 1 1 65 65 GLU N N 15 120.583 0.400 . 1 . . . A 65 GLU N . 18352 1 827 . 1 1 66 66 LYS H H 1 8.018 0.020 . 1 . . . A 66 LYS H . 18352 1 828 . 1 1 66 66 LYS HA H 1 4.263 0.020 . 1 . . . A 66 LYS HA . 18352 1 829 . 1 1 66 66 LYS HB2 H 1 1.907 0.020 . 2 . . . A 66 LYS HB2 . 18352 1 830 . 1 1 66 66 LYS HB3 H 1 1.857 0.020 . 2 . . . A 66 LYS HB3 . 18352 1 831 . 1 1 66 66 LYS HG2 H 1 1.530 0.020 . 1 . . . A 66 LYS HG2 . 18352 1 832 . 1 1 66 66 LYS HG3 H 1 1.530 0.020 . 1 . . . A 66 LYS HG3 . 18352 1 833 . 1 1 66 66 LYS HD2 H 1 1.375 0.020 . 1 . . . A 66 LYS HD2 . 18352 1 834 . 1 1 66 66 LYS HD3 H 1 1.375 0.020 . 1 . . . A 66 LYS HD3 . 18352 1 835 . 1 1 66 66 LYS HE2 H 1 2.779 0.020 . 1 . . . A 66 LYS HE2 . 18352 1 836 . 1 1 66 66 LYS HE3 H 1 2.779 0.020 . 1 . . . A 66 LYS HE3 . 18352 1 837 . 1 1 66 66 LYS C C 13 177.329 0.400 . 1 . . . A 66 LYS C . 18352 1 838 . 1 1 66 66 LYS CA C 13 56.968 0.400 . 1 . . . A 66 LYS CA . 18352 1 839 . 1 1 66 66 LYS CB C 13 32.483 0.400 . 1 . . . A 66 LYS CB . 18352 1 840 . 1 1 66 66 LYS CG C 13 25.053 0.400 . 1 . . . A 66 LYS CG . 18352 1 841 . 1 1 66 66 LYS CD C 13 28.951 0.400 . 1 . . . A 66 LYS CD . 18352 1 842 . 1 1 66 66 LYS CE C 13 41.684 0.400 . 1 . . . A 66 LYS CE . 18352 1 843 . 1 1 66 66 LYS N N 15 120.005 0.400 . 1 . . . A 66 LYS N . 18352 1 844 . 1 1 67 67 SER H H 1 8.023 0.020 . 1 . . . A 67 SER H . 18352 1 845 . 1 1 67 67 SER HA H 1 4.379 0.020 . 1 . . . A 67 SER HA . 18352 1 846 . 1 1 67 67 SER HB2 H 1 3.914 0.020 . 1 . . . A 67 SER HB2 . 18352 1 847 . 1 1 67 67 SER HB3 H 1 3.914 0.020 . 1 . . . A 67 SER HB3 . 18352 1 848 . 1 1 67 67 SER C C 13 174.562 0.400 . 1 . . . A 67 SER C . 18352 1 849 . 1 1 67 67 SER CA C 13 58.948 0.400 . 1 . . . A 67 SER CA . 18352 1 850 . 1 1 67 67 SER CB C 13 63.608 0.400 . 1 . . . A 67 SER CB . 18352 1 851 . 1 1 67 67 SER N N 15 115.325 0.400 . 1 . . . A 67 SER N . 18352 1 852 . 1 1 68 68 LYS H H 1 7.978 0.020 . 1 . . . A 68 LYS H . 18352 1 853 . 1 1 68 68 LYS HA H 1 4.304 0.020 . 1 . . . A 68 LYS HA . 18352 1 854 . 1 1 68 68 LYS HB2 H 1 1.856 0.020 . 2 . . . A 68 LYS HB2 . 18352 1 855 . 1 1 68 68 LYS HB3 H 1 1.753 0.020 . 2 . . . A 68 LYS HB3 . 18352 1 856 . 1 1 68 68 LYS HG2 H 1 1.426 0.020 . 1 . . . A 68 LYS HG2 . 18352 1 857 . 1 1 68 68 LYS HG3 H 1 1.426 0.020 . 1 . . . A 68 LYS HG3 . 18352 1 858 . 1 1 68 68 LYS HD2 H 1 1.673 0.020 . 1 . . . A 68 LYS HD2 . 18352 1 859 . 1 1 68 68 LYS HD3 H 1 1.673 0.020 . 1 . . . A 68 LYS HD3 . 18352 1 860 . 1 1 68 68 LYS HE2 H 1 2.977 0.020 . 1 . . . A 68 LYS HE2 . 18352 1 861 . 1 1 68 68 LYS HE3 H 1 2.977 0.020 . 1 . . . A 68 LYS HE3 . 18352 1 862 . 1 1 68 68 LYS C C 13 176.490 0.400 . 1 . . . A 68 LYS C . 18352 1 863 . 1 1 68 68 LYS CA C 13 56.414 0.400 . 1 . . . A 68 LYS CA . 18352 1 864 . 1 1 68 68 LYS CB C 13 32.098 0.400 . 1 . . . A 68 LYS CB . 18352 1 865 . 1 1 68 68 LYS CG C 13 24.703 0.400 . 1 . . . A 68 LYS CG . 18352 1 866 . 1 1 68 68 LYS CD C 13 28.800 0.400 . 1 . . . A 68 LYS CD . 18352 1 867 . 1 1 68 68 LYS CE C 13 41.828 0.400 . 1 . . . A 68 LYS CE . 18352 1 868 . 1 1 68 68 LYS N N 15 122.279 0.400 . 1 . . . A 68 LYS N . 18352 1 869 . 1 1 69 69 CYS H H 1 8.158 0.020 . 1 . . . A 69 CYS H . 18352 1 870 . 1 1 69 69 CYS HA H 1 4.475 0.020 . 1 . . . A 69 CYS HA . 18352 1 871 . 1 1 69 69 CYS HB2 H 1 2.968 0.020 . 2 . . . A 69 CYS HB2 . 18352 1 872 . 1 1 69 69 CYS HB3 H 1 2.901 0.020 . 2 . . . A 69 CYS HB3 . 18352 1 873 . 1 1 69 69 CYS C C 13 173.553 0.400 . 1 . . . A 69 CYS C . 18352 1 874 . 1 1 69 69 CYS CA C 13 58.791 0.400 . 1 . . . A 69 CYS CA . 18352 1 875 . 1 1 69 69 CYS CB C 13 28.178 0.400 . 1 . . . A 69 CYS CB . 18352 1 876 . 1 1 69 69 CYS N N 15 119.892 0.400 . 1 . . . A 69 CYS N . 18352 1 877 . 1 1 70 70 ARG H H 1 7.937 0.020 . 1 . . . A 70 ARG H . 18352 1 878 . 1 1 70 70 ARG HA H 1 4.159 0.020 . 1 . . . A 70 ARG HA . 18352 1 879 . 1 1 70 70 ARG HB2 H 1 1.715 0.020 . 2 . . . A 70 ARG HB2 . 18352 1 880 . 1 1 70 70 ARG HB3 H 1 1.848 0.020 . 2 . . . A 70 ARG HB3 . 18352 1 881 . 1 1 70 70 ARG CA C 13 57.287 0.400 . 1 . . . A 70 ARG CA . 18352 1 882 . 1 1 70 70 ARG CB C 13 31.234 0.400 . 1 . . . A 70 ARG CB . 18352 1 883 . 1 1 70 70 ARG N N 15 127.935 0.400 . 1 . . . A 70 ARG N . 18352 1 stop_ save_