data_16008 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16008 _Entry.Title ; Solution structure of the SARS-unique domain-C from the nonstructural protein 3 (nsp3) of the severe acute respiratory syndrome coronavirus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-28 _Entry.Accession_date 2008-10-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Margaret Johnson . A. . 16008 2 Biswaranjan Mohanty . . . 16008 3 Bill Pedrini . . . 16008 4 Pedro Serrano . . . 16008 5 Amarnath Chatterjee . . . 16008 6 Torsten Herrmann . . . 16008 7 Jeremiah Joseph . . . 16008 8 Kumar Saikatendu . . . 16008 9 Michael Buchmeier . J. . 16008 10 Peter Kuhn . . . 16008 11 Kurt Wuthrich . . . 16008 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'Functional and Structural Genomics of the SARS Coronavirus, Joint Center for Structural Genomics' . 16008 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16008 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 291 16008 '15N chemical shifts' 66 16008 '1H chemical shifts' 466 16008 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 2 . . 2014-05-16 2008-10-28 update BMRB 'update entry citation' 16008 1 . . 2009-01-06 2008-10-28 original author 'original release' 16008 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16008 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19828617 _Citation.Full_citation . _Citation.Title 'Nuclear magnetic resonance structure of the nucleic acid-binding domain of severe acute respiratory syndrome coronavirus nonstructural protein 3.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Virol.' _Citation.Journal_name_full 'Journal of virology' _Citation.Journal_volume 83 _Citation.Journal_issue 24 _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 12998 _Citation.Page_last 13008 _Citation.Year 2009 _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 Pedro Serrano . . . 16008 1 2 Margaret Johnson . A. . 16008 1 3 Amarnath Chatterjee . . . 16008 1 4 Benjamin Neuman . W. . 16008 1 5 Jeremiah Joseph . S. . 16008 1 6 Michael Buchmeier . J. . 16008 1 7 Peter Kuhn . . . 16008 1 8 Kurt Wuthrich . . . 16008 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16008 _Assembly.ID 1 _Assembly.Name SUD-C _Assembly.BMRB_code . _Assembly.Number_of_components . _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 SUD-C 1 $SUD-C A . yes native no no . . . 16008 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SUD-C _Entity.Sf_category entity _Entity.Sf_framecode SUD-C _Entity.Entry_ID 16008 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SUD-C _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSEEHFVETVSLAGSYRDWS YSGQRTELGVEFLKRGDKIV YHTLESPVEFHLDGEVLSLD KLKSLLS ; _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 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'SUD-C domain of nsp3' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-18 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 BMRB 16613 . SUD-MC . . . . . 98.51 198 100.00 100.00 2.39e-37 . . . . 16008 1 2 no PDB 2KAF . "Solution Structure Of The Sars-Unique Domain-C From The Nonstructural Protein 3 (Nsp3) Of The Severe Acute Respiratory Syndrome" . . . . . 100.00 67 100.00 100.00 2.46e-38 . . . . 16008 1 3 no PDB 2KQV . "Sars Coronavirus-Unique Domain (Sud): Three-Domain Molecular Architecture In Solution And Rna Binding. I: Structure Of The Sud-" . . . . . 98.51 198 100.00 100.00 2.39e-37 . . . . 16008 1 4 no PDB 2KQW . "Sars Coronavirus-Unique Domain (Sud): Three-Domain Molecular Architecture In Solution And Rna Binding. Ii: Structure Of The Sud" . . . . . 98.51 198 100.00 100.00 2.39e-37 . . . . 16008 1 5 no DBJ BAC81346 . "polyprotein 1ab [SARS coronavirus TWH]" . . . . . 98.51 7073 100.00 100.00 5.50e-36 . . . . 16008 1 6 no DBJ BAC81347 . "polyprotein 1a [SARS coronavirus TWH]" . . . . . 98.51 4382 100.00 100.00 5.16e-36 . . . . 16008 1 7 no DBJ BAC81360 . "polyprotein 1ab [SARS coronavirus TWJ]" . . . . . 98.51 7073 100.00 100.00 5.50e-36 . . . . 16008 1 8 no DBJ BAC81361 . "polyprotein 1a [SARS coronavirus TWJ]" . . . . . 98.51 4382 100.00 100.00 5.16e-36 . . . . 16008 1 9 no DBJ BAC81374 . "polyprotein 1ab [SARS coronavirus TWK]" . . . . . 98.51 7073 100.00 100.00 5.50e-36 . . . . 16008 1 10 no GB AAP13439 . "nonstructural polyprotein pp1a [SARS coronavirus Urbani]" . . . . . 98.51 4382 100.00 100.00 5.16e-36 . . . . 16008 1 11 no GB AAP13442 . "nonstructural polyprotein pp1ab [SARS coronavirus Urbani]" . . . . . 98.51 7073 100.00 100.00 5.50e-36 . . . . 16008 1 12 no GB AAP13566 . "putative orf1ab polyprotein [SARS coronavirus CUHK-W1]" . . . . . 98.51 7073 100.00 100.00 5.50e-36 . . . . 16008 1 13 no GB AAP13575 . "orf1a polyprotein [SARS coronavirus CUHK-W1]" . . . . . 98.51 4382 100.00 100.00 5.16e-36 . . . . 16008 1 14 no GB AAP30028 . "orf1ab [SARS coronavirus BJ01]" . . . . . 98.51 7073 100.00 100.00 5.50e-36 . . . . 16008 1 15 no REF NP_828849 . "orf1ab polyprotein (pp1ab) [SARS coronavirus]" . . . . . 98.51 7073 100.00 100.00 5.50e-36 . . . . 16008 1 16 no REF NP_828850 . "orf1a polyprotein (pp1a) [SARS coronavirus]" . . . . . 98.51 4382 100.00 100.00 5.16e-36 . . . . 16008 1 17 no REF NP_828862 . "nsp3-pp1a/pp1ab [SARS coronavirus]" . . . . . 98.51 1922 100.00 100.00 1.99e-35 . . . . 16008 1 18 no SP P0C6U8 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 98.51 4382 100.00 100.00 5.16e-36 . . . . 16008 1 19 no SP P0C6X7 . "RecName: Full=Replicase polyprotein 1ab; Short=pp1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Host translatio" . . . . . 98.51 7073 100.00 100.00 5.50e-36 . . . . 16008 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16008 1 2 . SER . 16008 1 3 . GLU . 16008 1 4 . GLU . 16008 1 5 . HIS . 16008 1 6 . PHE . 16008 1 7 . VAL . 16008 1 8 . GLU . 16008 1 9 . THR . 16008 1 10 . VAL . 16008 1 11 . SER . 16008 1 12 . LEU . 16008 1 13 . ALA . 16008 1 14 . GLY . 16008 1 15 . SER . 16008 1 16 . TYR . 16008 1 17 . ARG . 16008 1 18 . ASP . 16008 1 19 . TRP . 16008 1 20 . SER . 16008 1 21 . TYR . 16008 1 22 . SER . 16008 1 23 . GLY . 16008 1 24 . GLN . 16008 1 25 . ARG . 16008 1 26 . THR . 16008 1 27 . GLU . 16008 1 28 . LEU . 16008 1 29 . GLY . 16008 1 30 . VAL . 16008 1 31 . GLU . 16008 1 32 . PHE . 16008 1 33 . LEU . 16008 1 34 . LYS . 16008 1 35 . ARG . 16008 1 36 . GLY . 16008 1 37 . ASP . 16008 1 38 . LYS . 16008 1 39 . ILE . 16008 1 40 . VAL . 16008 1 41 . TYR . 16008 1 42 . HIS . 16008 1 43 . THR . 16008 1 44 . LEU . 16008 1 45 . GLU . 16008 1 46 . SER . 16008 1 47 . PRO . 16008 1 48 . VAL . 16008 1 49 . GLU . 16008 1 50 . PHE . 16008 1 51 . HIS . 16008 1 52 . LEU . 16008 1 53 . ASP . 16008 1 54 . GLY . 16008 1 55 . GLU . 16008 1 56 . VAL . 16008 1 57 . LEU . 16008 1 58 . SER . 16008 1 59 . LEU . 16008 1 60 . ASP . 16008 1 61 . LYS . 16008 1 62 . LEU . 16008 1 63 . LYS . 16008 1 64 . SER . 16008 1 65 . LEU . 16008 1 66 . LEU . 16008 1 67 . SER . 16008 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16008 1 . SER 2 2 16008 1 . GLU 3 3 16008 1 . GLU 4 4 16008 1 . HIS 5 5 16008 1 . PHE 6 6 16008 1 . VAL 7 7 16008 1 . GLU 8 8 16008 1 . THR 9 9 16008 1 . VAL 10 10 16008 1 . SER 11 11 16008 1 . LEU 12 12 16008 1 . ALA 13 13 16008 1 . GLY 14 14 16008 1 . SER 15 15 16008 1 . TYR 16 16 16008 1 . ARG 17 17 16008 1 . ASP 18 18 16008 1 . TRP 19 19 16008 1 . SER 20 20 16008 1 . TYR 21 21 16008 1 . SER 22 22 16008 1 . GLY 23 23 16008 1 . GLN 24 24 16008 1 . ARG 25 25 16008 1 . THR 26 26 16008 1 . GLU 27 27 16008 1 . LEU 28 28 16008 1 . GLY 29 29 16008 1 . VAL 30 30 16008 1 . GLU 31 31 16008 1 . PHE 32 32 16008 1 . LEU 33 33 16008 1 . LYS 34 34 16008 1 . ARG 35 35 16008 1 . GLY 36 36 16008 1 . ASP 37 37 16008 1 . LYS 38 38 16008 1 . ILE 39 39 16008 1 . VAL 40 40 16008 1 . TYR 41 41 16008 1 . HIS 42 42 16008 1 . THR 43 43 16008 1 . LEU 44 44 16008 1 . GLU 45 45 16008 1 . SER 46 46 16008 1 . PRO 47 47 16008 1 . VAL 48 48 16008 1 . GLU 49 49 16008 1 . PHE 50 50 16008 1 . HIS 51 51 16008 1 . LEU 52 52 16008 1 . ASP 53 53 16008 1 . GLY 54 54 16008 1 . GLU 55 55 16008 1 . VAL 56 56 16008 1 . LEU 57 57 16008 1 . SER 58 58 16008 1 . LEU 59 59 16008 1 . ASP 60 60 16008 1 . LYS 61 61 16008 1 . LEU 62 62 16008 1 . LYS 63 63 16008 1 . SER 64 64 16008 1 . LEU 65 65 16008 1 . LEU 66 66 16008 1 . SER 67 67 16008 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 16008 _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 $SUD-C . 227984 virus . 'SARS coronavirus Tor2' . . . virus . Coronavirus 'SARS coronavirus' . . . . . . . . . . . . . . . . . . . . . 16008 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 16008 _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 $SUD-C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET-28b . . . . . . 16008 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16008 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O/8% 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 SUD-C '[U-98% 13C; U-98% 15N]' . . 1 $SUD-C . . 1.2 . . mM . . . . 16008 1 2 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16008 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16008 1 4 'sodium azide' 'natural abundance' . . . . . . 2.8 . . mM . . . . 16008 1 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 16008 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.0628 . M 16008 1 pH 6.5 . pH 16008 1 pressure 1 . atm 16008 1 temperature 298 . K 16008 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16008 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16008 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16008 1 stop_ save_ save_MATCH _Software.Sf_category software _Software.Sf_framecode MATCH _Software.Entry_ID 16008 _Software.ID 2 _Software.Name MATCH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Volk, Herrmann and Wuthrich' . . 16008 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16008 2 stop_ save_ save_ASCAN _Software.Sf_category software _Software.Sf_framecode ASCAN _Software.Entry_ID 16008 _Software.ID 3 _Software.Name ASCAN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Fiorito, Herrmann, Damberger and Wuthrich' . . 16008 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16008 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16008 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16008 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16008 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16008 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16008 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16008 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16008 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 16008 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16008 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16008 1 2 spectrometer_2 Bruker Avance . 800 . . . 16008 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 16008 _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 . . . . . . . . . . . . . . . . 16008 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16008 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16008 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16008 1 5 '5D APSY-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16008 1 6 '5D APSY-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16008 1 7 '4D APSY-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16008 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 16008 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16008 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16008 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16008 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 16008 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D 1H-15N NOESY' . . . 16008 1 4 '3D 1H-13C NOESY' . . . 16008 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $MATCH . . 16008 1 3 $ASCAN . . 16008 1 4 $CARA . . 16008 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.913 0.000 . 2 . . . . 1 GLY HA2 . 16008 1 2 . 1 1 1 1 GLY HA3 H 1 4.080 0.000 . 2 . . . . 1 GLY HA3 . 16008 1 3 . 1 1 1 1 GLY CA C 13 43.419 0.000 . 1 . . . . 1 GLY CA . 16008 1 4 . 1 1 2 2 SER HA H 1 4.225 0.000 . 1 . . . . 2 SER HA . 16008 1 5 . 1 1 2 2 SER HB2 H 1 3.780 0.000 . 2 . . . . 2 SER HB2 . 16008 1 6 . 1 1 2 2 SER HB3 H 1 3.730 0.000 . 2 . . . . 2 SER HB3 . 16008 1 7 . 1 1 2 2 SER C C 13 176.250 0.000 . 1 . . . . 2 SER C . 16008 1 8 . 1 1 2 2 SER CA C 13 61.320 0.000 . 1 . . . . 2 SER CA . 16008 1 9 . 1 1 2 2 SER CB C 13 62.370 0.000 . 1 . . . . 2 SER CB . 16008 1 10 . 1 1 3 3 GLU H H 1 9.984 0.000 . 1 . . . . 3 GLU H . 16008 1 11 . 1 1 3 3 GLU HA H 1 3.915 0.000 . 1 . . . . 3 GLU HA . 16008 1 12 . 1 1 3 3 GLU HB2 H 1 1.608 0.000 . 2 . . . . 3 GLU HB2 . 16008 1 13 . 1 1 3 3 GLU HB3 H 1 2.040 0.000 . 2 . . . . 3 GLU HB3 . 16008 1 14 . 1 1 3 3 GLU HG2 H 1 2.204 0.000 . 2 . . . . 3 GLU HG2 . 16008 1 15 . 1 1 3 3 GLU HG3 H 1 2.831 0.000 . 2 . . . . 3 GLU HG3 . 16008 1 16 . 1 1 3 3 GLU C C 13 177.030 0.000 . 1 . . . . 3 GLU C . 16008 1 17 . 1 1 3 3 GLU CA C 13 62.130 0.000 . 1 . . . . 3 GLU CA . 16008 1 18 . 1 1 3 3 GLU CB C 13 28.100 0.000 . 1 . . . . 3 GLU CB . 16008 1 19 . 1 1 3 3 GLU CG C 13 38.000 0.000 . 1 . . . . 3 GLU CG . 16008 1 20 . 1 1 3 3 GLU N N 15 123.850 0.000 . 1 . . . . 3 GLU N . 16008 1 21 . 1 1 4 4 GLU H H 1 8.653 0.000 . 1 . . . . 4 GLU H . 16008 1 22 . 1 1 4 4 GLU HA H 1 3.648 0.000 . 1 . . . . 4 GLU HA . 16008 1 23 . 1 1 4 4 GLU HB2 H 1 1.843 0.000 . 2 . . . . 4 GLU HB2 . 16008 1 24 . 1 1 4 4 GLU HB3 H 1 2.055 0.000 . 2 . . . . 4 GLU HB3 . 16008 1 25 . 1 1 4 4 GLU HG2 H 1 2.061 0.000 . 2 . . . . 4 GLU HG2 . 16008 1 26 . 1 1 4 4 GLU HG3 H 1 2.463 0.000 . 2 . . . . 4 GLU HG3 . 16008 1 27 . 1 1 4 4 GLU C C 13 179.030 0.000 . 1 . . . . 4 GLU C . 16008 1 28 . 1 1 4 4 GLU CA C 13 60.760 0.000 . 1 . . . . 4 GLU CA . 16008 1 29 . 1 1 4 4 GLU CB C 13 27.980 0.000 . 1 . . . . 4 GLU CB . 16008 1 30 . 1 1 4 4 GLU CG C 13 37.638 0.000 . 1 . . . . 4 GLU CG . 16008 1 31 . 1 1 4 4 GLU N N 15 119.100 0.000 . 1 . . . . 4 GLU N . 16008 1 32 . 1 1 5 5 HIS H H 1 8.136 0.000 . 1 . . . . 5 HIS H . 16008 1 33 . 1 1 5 5 HIS HA H 1 4.431 0.000 . 1 . . . . 5 HIS HA . 16008 1 34 . 1 1 5 5 HIS HB2 H 1 3.191 0.000 . 1 . . . . 5 HIS HB2 . 16008 1 35 . 1 1 5 5 HIS HB3 H 1 3.191 0.000 . 1 . . . . 5 HIS HB3 . 16008 1 36 . 1 1 5 5 HIS HD2 H 1 7.104 0.000 . 1 . . . . 5 HIS HD2 . 16008 1 37 . 1 1 5 5 HIS HE1 H 1 7.985 0.000 . 1 . . . . 5 HIS HE1 . 16008 1 38 . 1 1 5 5 HIS C C 13 176.990 0.000 . 1 . . . . 5 HIS C . 16008 1 39 . 1 1 5 5 HIS CA C 13 58.500 0.000 . 1 . . . . 5 HIS CA . 16008 1 40 . 1 1 5 5 HIS CB C 13 29.110 0.000 . 1 . . . . 5 HIS CB . 16008 1 41 . 1 1 5 5 HIS CD2 C 13 119.910 0.000 . 1 . . . . 5 HIS CD2 . 16008 1 42 . 1 1 5 5 HIS CE1 C 13 137.741 0.000 . 1 . . . . 5 HIS CE1 . 16008 1 43 . 1 1 5 5 HIS N N 15 118.560 0.000 . 1 . . . . 5 HIS N . 16008 1 44 . 1 1 6 6 PHE H H 1 8.241 0.000 . 1 . . . . 6 PHE H . 16008 1 45 . 1 1 6 6 PHE HA H 1 4.250 0.000 . 1 . . . . 6 PHE HA . 16008 1 46 . 1 1 6 6 PHE HB2 H 1 3.077 0.000 . 2 . . . . 6 PHE HB2 . 16008 1 47 . 1 1 6 6 PHE HB3 H 1 3.231 0.000 . 2 . . . . 6 PHE HB3 . 16008 1 48 . 1 1 6 6 PHE HD1 H 1 6.960 0.000 . 1 . . . . 6 PHE HD1 . 16008 1 49 . 1 1 6 6 PHE HD2 H 1 6.960 0.000 . 1 . . . . 6 PHE HD2 . 16008 1 50 . 1 1 6 6 PHE HE1 H 1 6.622 0.000 . 1 . . . . 6 PHE HE1 . 16008 1 51 . 1 1 6 6 PHE HE2 H 1 6.622 0.000 . 1 . . . . 6 PHE HE2 . 16008 1 52 . 1 1 6 6 PHE HZ H 1 5.525 0.000 . 1 . . . . 6 PHE HZ . 16008 1 53 . 1 1 6 6 PHE C C 13 176.440 0.000 . 1 . . . . 6 PHE C . 16008 1 54 . 1 1 6 6 PHE CA C 13 61.470 0.000 . 1 . . . . 6 PHE CA . 16008 1 55 . 1 1 6 6 PHE CB C 13 39.220 0.000 . 1 . . . . 6 PHE CB . 16008 1 56 . 1 1 6 6 PHE CD1 C 13 131.463 0.000 . 1 . . . . 6 PHE CD1 . 16008 1 57 . 1 1 6 6 PHE CE1 C 13 130.561 0.000 . 1 . . . . 6 PHE CE1 . 16008 1 58 . 1 1 6 6 PHE CZ C 13 128.771 0.000 . 1 . . . . 6 PHE CZ . 16008 1 59 . 1 1 6 6 PHE N N 15 122.620 0.000 . 1 . . . . 6 PHE N . 16008 1 60 . 1 1 7 7 VAL H H 1 7.761 0.000 . 1 . . . . 7 VAL H . 16008 1 61 . 1 1 7 7 VAL HA H 1 3.383 0.000 . 1 . . . . 7 VAL HA . 16008 1 62 . 1 1 7 7 VAL HB H 1 1.815 0.000 . 1 . . . . 7 VAL HB . 16008 1 63 . 1 1 7 7 VAL HG11 H 1 0.518 0.000 . 2 . . . . 7 VAL HG11 . 16008 1 64 . 1 1 7 7 VAL HG12 H 1 0.518 0.000 . 2 . . . . 7 VAL HG12 . 16008 1 65 . 1 1 7 7 VAL HG13 H 1 0.518 0.000 . 2 . . . . 7 VAL HG13 . 16008 1 66 . 1 1 7 7 VAL HG21 H 1 0.270 0.000 . 2 . . . . 7 VAL HG21 . 16008 1 67 . 1 1 7 7 VAL HG22 H 1 0.270 0.000 . 2 . . . . 7 VAL HG22 . 16008 1 68 . 1 1 7 7 VAL HG23 H 1 0.270 0.000 . 2 . . . . 7 VAL HG23 . 16008 1 69 . 1 1 7 7 VAL C C 13 177.970 0.000 . 1 . . . . 7 VAL C . 16008 1 70 . 1 1 7 7 VAL CA C 13 66.270 0.000 . 1 . . . . 7 VAL CA . 16008 1 71 . 1 1 7 7 VAL CB C 13 30.980 0.000 . 1 . . . . 7 VAL CB . 16008 1 72 . 1 1 7 7 VAL CG1 C 13 21.322 0.000 . 1 . . . . 7 VAL CG1 . 16008 1 73 . 1 1 7 7 VAL CG2 C 13 21.884 0.000 . 1 . . . . 7 VAL CG2 . 16008 1 74 . 1 1 7 7 VAL N N 15 117.530 0.000 . 1 . . . . 7 VAL N . 16008 1 75 . 1 1 8 8 GLU H H 1 8.032 0.000 . 1 . . . . 8 GLU H . 16008 1 76 . 1 1 8 8 GLU HA H 1 3.752 0.000 . 1 . . . . 8 GLU HA . 16008 1 77 . 1 1 8 8 GLU HB2 H 1 2.013 0.000 . 2 . . . . 8 GLU HB2 . 16008 1 78 . 1 1 8 8 GLU HB3 H 1 1.973 0.000 . 2 . . . . 8 GLU HB3 . 16008 1 79 . 1 1 8 8 GLU HG2 H 1 2.046 0.000 . 2 . . . . 8 GLU HG2 . 16008 1 80 . 1 1 8 8 GLU HG3 H 1 2.165 0.000 . 2 . . . . 8 GLU HG3 . 16008 1 81 . 1 1 8 8 GLU C C 13 178.740 0.000 . 1 . . . . 8 GLU C . 16008 1 82 . 1 1 8 8 GLU CA C 13 59.410 0.000 . 1 . . . . 8 GLU CA . 16008 1 83 . 1 1 8 8 GLU CB C 13 29.360 0.000 . 1 . . . . 8 GLU CB . 16008 1 84 . 1 1 8 8 GLU CG C 13 35.991 0.000 . 1 . . . . 8 GLU CG . 16008 1 85 . 1 1 8 8 GLU N N 15 119.420 0.000 . 1 . . . . 8 GLU N . 16008 1 86 . 1 1 9 9 THR H H 1 8.264 0.000 . 1 . . . . 9 THR H . 16008 1 87 . 1 1 9 9 THR HA H 1 3.698 0.000 . 1 . . . . 9 THR HA . 16008 1 88 . 1 1 9 9 THR HB H 1 4.040 0.000 . 1 . . . . 9 THR HB . 16008 1 89 . 1 1 9 9 THR HG21 H 1 1.051 0.000 . 1 . . . . 9 THR HG21 . 16008 1 90 . 1 1 9 9 THR HG22 H 1 1.051 0.000 . 1 . . . . 9 THR HG22 . 16008 1 91 . 1 1 9 9 THR HG23 H 1 1.051 0.000 . 1 . . . . 9 THR HG23 . 16008 1 92 . 1 1 9 9 THR C C 13 177.180 0.000 . 1 . . . . 9 THR C . 16008 1 93 . 1 1 9 9 THR CA C 13 66.160 0.000 . 1 . . . . 9 THR CA . 16008 1 94 . 1 1 9 9 THR CB C 13 68.370 0.000 . 1 . . . . 9 THR CB . 16008 1 95 . 1 1 9 9 THR CG2 C 13 21.185 0.000 . 1 . . . . 9 THR CG2 . 16008 1 96 . 1 1 9 9 THR N N 15 114.030 0.000 . 1 . . . . 9 THR N . 16008 1 97 . 1 1 10 10 VAL H H 1 8.059 0.000 . 1 . . . . 10 VAL H . 16008 1 98 . 1 1 10 10 VAL HA H 1 3.417 0.000 . 1 . . . . 10 VAL HA . 16008 1 99 . 1 1 10 10 VAL HB H 1 1.757 0.000 . 1 . . . . 10 VAL HB . 16008 1 100 . 1 1 10 10 VAL HG11 H 1 0.425 0.000 . 2 . . . . 10 VAL HG11 . 16008 1 101 . 1 1 10 10 VAL HG12 H 1 0.425 0.000 . 2 . . . . 10 VAL HG12 . 16008 1 102 . 1 1 10 10 VAL HG13 H 1 0.425 0.000 . 2 . . . . 10 VAL HG13 . 16008 1 103 . 1 1 10 10 VAL HG21 H 1 0.151 0.000 . 2 . . . . 10 VAL HG21 . 16008 1 104 . 1 1 10 10 VAL HG22 H 1 0.151 0.000 . 2 . . . . 10 VAL HG22 . 16008 1 105 . 1 1 10 10 VAL HG23 H 1 0.151 0.000 . 2 . . . . 10 VAL HG23 . 16008 1 106 . 1 1 10 10 VAL C C 13 177.080 0.000 . 1 . . . . 10 VAL C . 16008 1 107 . 1 1 10 10 VAL CA C 13 66.450 0.000 . 1 . . . . 10 VAL CA . 16008 1 108 . 1 1 10 10 VAL CB C 13 31.050 0.000 . 1 . . . . 10 VAL CB . 16008 1 109 . 1 1 10 10 VAL CG1 C 13 22.676 0.000 . 1 . . . . 10 VAL CG1 . 16008 1 110 . 1 1 10 10 VAL CG2 C 13 23.517 0.000 . 1 . . . . 10 VAL CG2 . 16008 1 111 . 1 1 10 10 VAL N N 15 123.540 0.000 . 1 . . . . 10 VAL N . 16008 1 112 . 1 1 11 11 SER H H 1 8.293 0.000 . 1 . . . . 11 SER H . 16008 1 113 . 1 1 11 11 SER HA H 1 2.237 0.000 . 1 . . . . 11 SER HA . 16008 1 114 . 1 1 11 11 SER HB2 H 1 3.484 0.000 . 2 . . . . 11 SER HB2 . 16008 1 115 . 1 1 11 11 SER HB3 H 1 3.290 0.000 . 2 . . . . 11 SER HB3 . 16008 1 116 . 1 1 11 11 SER C C 13 175.750 0.000 . 1 . . . . 11 SER C . 16008 1 117 . 1 1 11 11 SER CA C 13 60.600 0.000 . 1 . . . . 11 SER CA . 16008 1 118 . 1 1 11 11 SER CB C 13 61.950 0.000 . 1 . . . . 11 SER CB . 16008 1 119 . 1 1 11 11 SER N N 15 115.720 0.000 . 1 . . . . 11 SER N . 16008 1 120 . 1 1 12 12 LEU H H 1 7.197 0.000 . 1 . . . . 12 LEU H . 16008 1 121 . 1 1 12 12 LEU HA H 1 4.014 0.000 . 1 . . . . 12 LEU HA . 16008 1 122 . 1 1 12 12 LEU HB2 H 1 1.634 0.000 . 2 . . . . 12 LEU HB2 . 16008 1 123 . 1 1 12 12 LEU HB3 H 1 1.437 0.000 . 2 . . . . 12 LEU HB3 . 16008 1 124 . 1 1 12 12 LEU HD11 H 1 0.760 0.000 . 2 . . . . 12 LEU HD11 . 16008 1 125 . 1 1 12 12 LEU HD12 H 1 0.760 0.000 . 2 . . . . 12 LEU HD12 . 16008 1 126 . 1 1 12 12 LEU HD13 H 1 0.760 0.000 . 2 . . . . 12 LEU HD13 . 16008 1 127 . 1 1 12 12 LEU HD21 H 1 0.762 0.000 . 2 . . . . 12 LEU HD21 . 16008 1 128 . 1 1 12 12 LEU HD22 H 1 0.762 0.000 . 2 . . . . 12 LEU HD22 . 16008 1 129 . 1 1 12 12 LEU HD23 H 1 0.762 0.000 . 2 . . . . 12 LEU HD23 . 16008 1 130 . 1 1 12 12 LEU HG H 1 1.615 0.000 . 1 . . . . 12 LEU HG . 16008 1 131 . 1 1 12 12 LEU C C 13 178.530 0.000 . 1 . . . . 12 LEU C . 16008 1 132 . 1 1 12 12 LEU CA C 13 56.570 0.000 . 1 . . . . 12 LEU CA . 16008 1 133 . 1 1 12 12 LEU CB C 13 42.100 0.000 . 1 . . . . 12 LEU CB . 16008 1 134 . 1 1 12 12 LEU CD1 C 13 24.810 0.000 . 1 . . . . 12 LEU CD1 . 16008 1 135 . 1 1 12 12 LEU CD2 C 13 23.260 0.000 . 1 . . . . 12 LEU CD2 . 16008 1 136 . 1 1 12 12 LEU CG C 13 26.688 0.000 . 1 . . . . 12 LEU CG . 16008 1 137 . 1 1 12 12 LEU N N 15 121.170 0.000 . 1 . . . . 12 LEU N . 16008 1 138 . 1 1 13 13 ALA H H 1 7.503 0.000 . 1 . . . . 13 ALA H . 16008 1 139 . 1 1 13 13 ALA HA H 1 4.165 0.000 . 1 . . . . 13 ALA HA . 16008 1 140 . 1 1 13 13 ALA HB1 H 1 1.586 0.000 . 1 . . . . 13 ALA HB1 . 16008 1 141 . 1 1 13 13 ALA HB2 H 1 1.586 0.000 . 1 . . . . 13 ALA HB2 . 16008 1 142 . 1 1 13 13 ALA HB3 H 1 1.586 0.000 . 1 . . . . 13 ALA HB3 . 16008 1 143 . 1 1 13 13 ALA C C 13 179.500 0.000 . 1 . . . . 13 ALA C . 16008 1 144 . 1 1 13 13 ALA CA C 13 53.710 0.000 . 1 . . . . 13 ALA CA . 16008 1 145 . 1 1 13 13 ALA CB C 13 19.520 0.000 . 1 . . . . 13 ALA CB . 16008 1 146 . 1 1 13 13 ALA N N 15 120.520 0.000 . 1 . . . . 13 ALA N . 16008 1 147 . 1 1 14 14 GLY H H 1 8.542 0.000 . 1 . . . . 14 GLY H . 16008 1 148 . 1 1 14 14 GLY HA2 H 1 3.505 0.000 . 2 . . . . 14 GLY HA2 . 16008 1 149 . 1 1 14 14 GLY HA3 H 1 4.428 0.000 . 2 . . . . 14 GLY HA3 . 16008 1 150 . 1 1 14 14 GLY C C 13 173.300 0.000 . 1 . . . . 14 GLY C . 16008 1 151 . 1 1 14 14 GLY CA C 13 45.450 0.000 . 1 . . . . 14 GLY CA . 16008 1 152 . 1 1 14 14 GLY N N 15 104.820 0.000 . 1 . . . . 14 GLY N . 16008 1 153 . 1 1 15 15 SER H H 1 7.505 0.000 . 1 . . . . 15 SER H . 16008 1 154 . 1 1 15 15 SER HA H 1 4.656 0.000 . 1 . . . . 15 SER HA . 16008 1 155 . 1 1 15 15 SER HB2 H 1 4.116 0.000 . 2 . . . . 15 SER HB2 . 16008 1 156 . 1 1 15 15 SER HB3 H 1 3.777 0.000 . 2 . . . . 15 SER HB3 . 16008 1 157 . 1 1 15 15 SER C C 13 171.920 0.000 . 1 . . . . 15 SER C . 16008 1 158 . 1 1 15 15 SER CA C 13 57.350 0.000 . 1 . . . . 15 SER CA . 16008 1 159 . 1 1 15 15 SER CB C 13 64.650 0.000 . 1 . . . . 15 SER CB . 16008 1 160 . 1 1 15 15 SER N N 15 111.850 0.000 . 1 . . . . 15 SER N . 16008 1 161 . 1 1 16 16 TYR H H 1 8.575 0.000 . 1 . . . . 16 TYR H . 16008 1 162 . 1 1 16 16 TYR HA H 1 4.296 0.000 . 1 . . . . 16 TYR HA . 16008 1 163 . 1 1 16 16 TYR HB2 H 1 2.603 0.000 . 1 . . . . 16 TYR HB2 . 16008 1 164 . 1 1 16 16 TYR HB3 H 1 2.603 0.000 . 1 . . . . 16 TYR HB3 . 16008 1 165 . 1 1 16 16 TYR HD1 H 1 6.892 0.000 . 1 . . . . 16 TYR HD1 . 16008 1 166 . 1 1 16 16 TYR HD2 H 1 6.892 0.000 . 1 . . . . 16 TYR HD2 . 16008 1 167 . 1 1 16 16 TYR HE1 H 1 6.727 0.000 . 1 . . . . 16 TYR HE1 . 16008 1 168 . 1 1 16 16 TYR HE2 H 1 6.727 0.000 . 1 . . . . 16 TYR HE2 . 16008 1 169 . 1 1 16 16 TYR C C 13 173.450 0.000 . 1 . . . . 16 TYR C . 16008 1 170 . 1 1 16 16 TYR CA C 13 58.720 0.000 . 1 . . . . 16 TYR CA . 16008 1 171 . 1 1 16 16 TYR CB C 13 40.520 0.000 . 1 . . . . 16 TYR CB . 16008 1 172 . 1 1 16 16 TYR CD1 C 13 133.381 0.000 . 1 . . . . 16 TYR CD1 . 16008 1 173 . 1 1 16 16 TYR CE1 C 13 117.750 0.000 . 1 . . . . 16 TYR CE1 . 16008 1 174 . 1 1 16 16 TYR N N 15 119.300 0.000 . 1 . . . . 16 TYR N . 16008 1 175 . 1 1 17 17 ARG H H 1 8.838 0.000 . 1 . . . . 17 ARG H . 16008 1 176 . 1 1 17 17 ARG HA H 1 3.491 0.000 . 1 . . . . 17 ARG HA . 16008 1 177 . 1 1 17 17 ARG HB2 H 1 1.985 0.000 . 2 . . . . 17 ARG HB2 . 16008 1 178 . 1 1 17 17 ARG HB3 H 1 1.842 0.000 . 2 . . . . 17 ARG HB3 . 16008 1 179 . 1 1 17 17 ARG HD2 H 1 3.029 0.000 . 2 . . . . 17 ARG HD2 . 16008 1 180 . 1 1 17 17 ARG HD3 H 1 3.002 0.000 . 2 . . . . 17 ARG HD3 . 16008 1 181 . 1 1 17 17 ARG HG2 H 1 1.044 0.000 . 2 . . . . 17 ARG HG2 . 16008 1 182 . 1 1 17 17 ARG HG3 H 1 0.813 0.000 . 2 . . . . 17 ARG HG3 . 16008 1 183 . 1 1 17 17 ARG CA C 13 57.960 0.000 . 1 . . . . 17 ARG CA . 16008 1 184 . 1 1 17 17 ARG CB C 13 27.299 0.000 . 1 . . . . 17 ARG CB . 16008 1 185 . 1 1 17 17 ARG CD C 13 42.979 0.000 . 1 . . . . 17 ARG CD . 16008 1 186 . 1 1 17 17 ARG CG C 13 27.446 0.000 . 1 . . . . 17 ARG CG . 16008 1 187 . 1 1 17 17 ARG N N 15 124.910 0.000 . 1 . . . . 17 ARG N . 16008 1 188 . 1 1 18 18 ASP H H 1 8.894 0.000 . 1 . . . . 18 ASP H . 16008 1 189 . 1 1 18 18 ASP HA H 1 4.558 0.000 . 1 . . . . 18 ASP HA . 16008 1 190 . 1 1 18 18 ASP HB2 H 1 2.708 0.000 . 2 . . . . 18 ASP HB2 . 16008 1 191 . 1 1 18 18 ASP HB3 H 1 2.554 0.000 . 2 . . . . 18 ASP HB3 . 16008 1 192 . 1 1 18 18 ASP C C 13 174.420 0.000 . 1 . . . . 18 ASP C . 16008 1 193 . 1 1 18 18 ASP CA C 13 54.090 0.000 . 1 . . . . 18 ASP CA . 16008 1 194 . 1 1 18 18 ASP CB C 13 38.740 0.000 . 1 . . . . 18 ASP CB . 16008 1 195 . 1 1 18 18 ASP N N 15 120.060 0.000 . 1 . . . . 18 ASP N . 16008 1 196 . 1 1 19 19 TRP H H 1 8.783 0.000 . 1 . . . . 19 TRP H . 16008 1 197 . 1 1 19 19 TRP HA H 1 4.443 0.000 . 1 . . . . 19 TRP HA . 16008 1 198 . 1 1 19 19 TRP HB2 H 1 3.477 0.000 . 2 . . . . 19 TRP HB2 . 16008 1 199 . 1 1 19 19 TRP HB3 H 1 2.853 0.000 . 2 . . . . 19 TRP HB3 . 16008 1 200 . 1 1 19 19 TRP HD1 H 1 7.408 0.000 . 1 . . . . 19 TRP HD1 . 16008 1 201 . 1 1 19 19 TRP HE1 H 1 10.225 0.000 . 1 . . . . 19 TRP HE1 . 16008 1 202 . 1 1 19 19 TRP HE3 H 1 6.797 0.000 . 1 . . . . 19 TRP HE3 . 16008 1 203 . 1 1 19 19 TRP HH2 H 1 6.750 0.000 . 1 . . . . 19 TRP HH2 . 16008 1 204 . 1 1 19 19 TRP HZ2 H 1 7.260 0.000 . 1 . . . . 19 TRP HZ2 . 16008 1 205 . 1 1 19 19 TRP HZ3 H 1 6.600 0.000 . 1 . . . . 19 TRP HZ3 . 16008 1 206 . 1 1 19 19 TRP C C 13 175.760 0.000 . 1 . . . . 19 TRP C . 16008 1 207 . 1 1 19 19 TRP CA C 13 56.370 0.000 . 1 . . . . 19 TRP CA . 16008 1 208 . 1 1 19 19 TRP CB C 13 29.960 0.000 . 1 . . . . 19 TRP CB . 16008 1 209 . 1 1 19 19 TRP CD1 C 13 127.225 0.000 . 1 . . . . 19 TRP CD1 . 16008 1 210 . 1 1 19 19 TRP CE3 C 13 120.546 0.000 . 1 . . . . 19 TRP CE3 . 16008 1 211 . 1 1 19 19 TRP CH2 C 13 123.300 0.000 . 1 . . . . 19 TRP CH2 . 16008 1 212 . 1 1 19 19 TRP CZ2 C 13 114.100 0.000 . 1 . . . . 19 TRP CZ2 . 16008 1 213 . 1 1 19 19 TRP CZ3 C 13 121.660 0.000 . 1 . . . . 19 TRP CZ3 . 16008 1 214 . 1 1 19 19 TRP N N 15 121.410 0.000 . 1 . . . . 19 TRP N . 16008 1 215 . 1 1 19 19 TRP NE1 N 15 131.540 0.000 . 1 . . . . 19 TRP NE1 . 16008 1 216 . 1 1 20 20 SER H H 1 8.942 0.000 . 1 . . . . 20 SER H . 16008 1 217 . 1 1 20 20 SER HA H 1 4.495 0.000 . 1 . . . . 20 SER HA . 16008 1 218 . 1 1 20 20 SER HB2 H 1 3.791 0.000 . 2 . . . . 20 SER HB2 . 16008 1 219 . 1 1 20 20 SER HB3 H 1 3.703 0.000 . 2 . . . . 20 SER HB3 . 16008 1 220 . 1 1 20 20 SER C C 13 173.930 0.000 . 1 . . . . 20 SER C . 16008 1 221 . 1 1 20 20 SER CA C 13 57.910 0.000 . 1 . . . . 20 SER CA . 16008 1 222 . 1 1 20 20 SER CB C 13 64.430 0.000 . 1 . . . . 20 SER CB . 16008 1 223 . 1 1 20 20 SER N N 15 117.840 0.000 . 1 . . . . 20 SER N . 16008 1 224 . 1 1 21 21 TYR H H 1 7.885 0.000 . 1 . . . . 21 TYR H . 16008 1 225 . 1 1 21 21 TYR HA H 1 4.961 0.000 . 1 . . . . 21 TYR HA . 16008 1 226 . 1 1 21 21 TYR HB2 H 1 2.344 0.000 . 2 . . . . 21 TYR HB2 . 16008 1 227 . 1 1 21 21 TYR HB3 H 1 2.539 0.000 . 2 . . . . 21 TYR HB3 . 16008 1 228 . 1 1 21 21 TYR HD1 H 1 6.991 0.000 . 1 . . . . 21 TYR HD1 . 16008 1 229 . 1 1 21 21 TYR HD2 H 1 6.991 0.000 . 1 . . . . 21 TYR HD2 . 16008 1 230 . 1 1 21 21 TYR HE1 H 1 6.842 0.000 . 1 . . . . 21 TYR HE1 . 16008 1 231 . 1 1 21 21 TYR HE2 H 1 6.842 0.000 . 1 . . . . 21 TYR HE2 . 16008 1 232 . 1 1 21 21 TYR C C 13 174.920 0.000 . 1 . . . . 21 TYR C . 16008 1 233 . 1 1 21 21 TYR CA C 13 57.390 0.000 . 1 . . . . 21 TYR CA . 16008 1 234 . 1 1 21 21 TYR CB C 13 38.500 0.000 . 1 . . . . 21 TYR CB . 16008 1 235 . 1 1 21 21 TYR CD1 C 13 133.760 0.000 . 1 . . . . 21 TYR CD1 . 16008 1 236 . 1 1 21 21 TYR CE1 C 13 117.357 0.000 . 1 . . . . 21 TYR CE1 . 16008 1 237 . 1 1 21 21 TYR N N 15 124.470 0.000 . 1 . . . . 21 TYR N . 16008 1 238 . 1 1 22 22 SER H H 1 6.591 0.000 . 1 . . . . 22 SER H . 16008 1 239 . 1 1 22 22 SER HA H 1 4.583 0.000 . 1 . . . . 22 SER HA . 16008 1 240 . 1 1 22 22 SER HB2 H 1 3.371 0.000 . 2 . . . . 22 SER HB2 . 16008 1 241 . 1 1 22 22 SER HB3 H 1 3.146 0.000 . 2 . . . . 22 SER HB3 . 16008 1 242 . 1 1 22 22 SER C C 13 173.240 0.000 . 1 . . . . 22 SER C . 16008 1 243 . 1 1 22 22 SER CA C 13 56.290 0.000 . 1 . . . . 22 SER CA . 16008 1 244 . 1 1 22 22 SER CB C 13 61.880 0.000 . 1 . . . . 22 SER CB . 16008 1 245 . 1 1 22 22 SER N N 15 120.470 0.000 . 1 . . . . 22 SER N . 16008 1 246 . 1 1 23 23 GLY H H 1 8.319 0.000 . 1 . . . . 23 GLY H . 16008 1 247 . 1 1 23 23 GLY HA2 H 1 4.042 0.000 . 2 . . . . 23 GLY HA2 . 16008 1 248 . 1 1 23 23 GLY HA3 H 1 3.271 0.000 . 2 . . . . 23 GLY HA3 . 16008 1 249 . 1 1 23 23 GLY C C 13 173.470 0.000 . 1 . . . . 23 GLY C . 16008 1 250 . 1 1 23 23 GLY CA C 13 45.230 0.000 . 1 . . . . 23 GLY CA . 16008 1 251 . 1 1 23 23 GLY N N 15 106.330 0.000 . 1 . . . . 23 GLY N . 16008 1 252 . 1 1 24 24 GLN H H 1 7.344 0.000 . 1 . . . . 24 GLN H . 16008 1 253 . 1 1 24 24 GLN HA H 1 4.068 0.000 . 1 . . . . 24 GLN HA . 16008 1 254 . 1 1 24 24 GLN HB2 H 1 1.695 0.000 . 2 . . . . 24 GLN HB2 . 16008 1 255 . 1 1 24 24 GLN HB3 H 1 1.770 0.000 . 2 . . . . 24 GLN HB3 . 16008 1 256 . 1 1 24 24 GLN HE21 H 1 7.380 0.000 . 2 . . . . 24 GLN HE21 . 16008 1 257 . 1 1 24 24 GLN HE22 H 1 6.800 0.000 . 2 . . . . 24 GLN HE22 . 16008 1 258 . 1 1 24 24 GLN HG2 H 1 2.139 0.000 . 1 . . . . 24 GLN HG2 . 16008 1 259 . 1 1 24 24 GLN HG3 H 1 2.139 0.000 . 1 . . . . 24 GLN HG3 . 16008 1 260 . 1 1 24 24 GLN C C 13 174.780 0.000 . 1 . . . . 24 GLN C . 16008 1 261 . 1 1 24 24 GLN CA C 13 55.670 0.000 . 1 . . . . 24 GLN CA . 16008 1 262 . 1 1 24 24 GLN CB C 13 28.880 0.000 . 1 . . . . 24 GLN CB . 16008 1 263 . 1 1 24 24 GLN CG C 13 33.450 0.000 . 1 . . . . 24 GLN CG . 16008 1 264 . 1 1 24 24 GLN N N 15 119.660 0.000 . 1 . . . . 24 GLN N . 16008 1 265 . 1 1 24 24 GLN NE2 N 15 112.732 0.000 . 1 . . . . 24 GLN NE2 . 16008 1 266 . 1 1 25 25 ARG H H 1 8.837 0.000 . 1 . . . . 25 ARG H . 16008 1 267 . 1 1 25 25 ARG HA H 1 4.302 0.000 . 1 . . . . 25 ARG HA . 16008 1 268 . 1 1 25 25 ARG HB2 H 1 1.757 0.000 . 1 . . . . 25 ARG HB2 . 16008 1 269 . 1 1 25 25 ARG HB3 H 1 1.757 0.000 . 1 . . . . 25 ARG HB3 . 16008 1 270 . 1 1 25 25 ARG HD2 H 1 3.070 0.000 . 2 . . . . 25 ARG HD2 . 16008 1 271 . 1 1 25 25 ARG HD3 H 1 3.110 0.000 . 2 . . . . 25 ARG HD3 . 16008 1 272 . 1 1 25 25 ARG HG2 H 1 1.488 0.000 . 2 . . . . 25 ARG HG2 . 16008 1 273 . 1 1 25 25 ARG HG3 H 1 1.615 0.000 . 2 . . . . 25 ARG HG3 . 16008 1 274 . 1 1 25 25 ARG C C 13 175.570 0.000 . 1 . . . . 25 ARG C . 16008 1 275 . 1 1 25 25 ARG CA C 13 57.240 0.000 . 1 . . . . 25 ARG CA . 16008 1 276 . 1 1 25 25 ARG CB C 13 30.377 0.000 . 1 . . . . 25 ARG CB . 16008 1 277 . 1 1 25 25 ARG CD C 13 43.419 0.000 . 1 . . . . 25 ARG CD . 16008 1 278 . 1 1 25 25 ARG CG C 13 28.227 0.000 . 1 . . . . 25 ARG CG . 16008 1 279 . 1 1 25 25 ARG N N 15 126.480 0.000 . 1 . . . . 25 ARG N . 16008 1 280 . 1 1 26 26 THR H H 1 8.191 0.000 . 1 . . . . 26 THR H . 16008 1 281 . 1 1 26 26 THR HA H 1 4.912 0.000 . 1 . . . . 26 THR HA . 16008 1 282 . 1 1 26 26 THR HB H 1 4.521 0.000 . 1 . . . . 26 THR HB . 16008 1 283 . 1 1 26 26 THR HG21 H 1 1.221 0.000 . 1 . . . . 26 THR HG21 . 16008 1 284 . 1 1 26 26 THR HG22 H 1 1.221 0.000 . 1 . . . . 26 THR HG22 . 16008 1 285 . 1 1 26 26 THR HG23 H 1 1.221 0.000 . 1 . . . . 26 THR HG23 . 16008 1 286 . 1 1 26 26 THR C C 13 175.400 0.000 . 1 . . . . 26 THR C . 16008 1 287 . 1 1 26 26 THR CA C 13 60.020 0.000 . 1 . . . . 26 THR CA . 16008 1 288 . 1 1 26 26 THR CB C 13 73.102 0.000 . 1 . . . . 26 THR CB . 16008 1 289 . 1 1 26 26 THR CG2 C 13 21.519 0.000 . 1 . . . . 26 THR CG2 . 16008 1 290 . 1 1 26 26 THR N N 15 116.640 0.000 . 1 . . . . 26 THR N . 16008 1 291 . 1 1 27 27 GLU H H 1 9.200 0.000 . 1 . . . . 27 GLU H . 16008 1 292 . 1 1 27 27 GLU HA H 1 4.060 0.000 . 1 . . . . 27 GLU HA . 16008 1 293 . 1 1 27 27 GLU HB2 H 1 1.944 0.000 . 2 . . . . 27 GLU HB2 . 16008 1 294 . 1 1 27 27 GLU HB3 H 1 1.994 0.000 . 2 . . . . 27 GLU HB3 . 16008 1 295 . 1 1 27 27 GLU HG2 H 1 2.210 0.000 . 2 . . . . 27 GLU HG2 . 16008 1 296 . 1 1 27 27 GLU HG3 H 1 2.250 0.000 . 2 . . . . 27 GLU HG3 . 16008 1 297 . 1 1 27 27 GLU C C 13 176.910 0.000 . 1 . . . . 27 GLU C . 16008 1 298 . 1 1 27 27 GLU CA C 13 58.550 0.000 . 1 . . . . 27 GLU CA . 16008 1 299 . 1 1 27 27 GLU CB C 13 28.740 0.000 . 1 . . . . 27 GLU CB . 16008 1 300 . 1 1 27 27 GLU CG C 13 36.238 0.000 . 1 . . . . 27 GLU CG . 16008 1 301 . 1 1 27 27 GLU N N 15 119.980 0.000 . 1 . . . . 27 GLU N . 16008 1 302 . 1 1 28 28 LEU H H 1 7.778 0.000 . 1 . . . . 28 LEU H . 16008 1 303 . 1 1 28 28 LEU HA H 1 4.071 0.000 . 1 . . . . 28 LEU HA . 16008 1 304 . 1 1 28 28 LEU HB2 H 1 0.908 0.000 . 2 . . . . 28 LEU HB2 . 16008 1 305 . 1 1 28 28 LEU HB3 H 1 0.715 0.000 . 2 . . . . 28 LEU HB3 . 16008 1 306 . 1 1 28 28 LEU HD11 H 1 0.580 0.000 . 2 . . . . 28 LEU HD11 . 16008 1 307 . 1 1 28 28 LEU HD12 H 1 0.580 0.000 . 2 . . . . 28 LEU HD12 . 16008 1 308 . 1 1 28 28 LEU HD13 H 1 0.580 0.000 . 2 . . . . 28 LEU HD13 . 16008 1 309 . 1 1 28 28 LEU HD21 H 1 0.660 0.000 . 2 . . . . 28 LEU HD21 . 16008 1 310 . 1 1 28 28 LEU HD22 H 1 0.660 0.000 . 2 . . . . 28 LEU HD22 . 16008 1 311 . 1 1 28 28 LEU HD23 H 1 0.660 0.000 . 2 . . . . 28 LEU HD23 . 16008 1 312 . 1 1 28 28 LEU HG H 1 1.302 0.000 . 1 . . . . 28 LEU HG . 16008 1 313 . 1 1 28 28 LEU C C 13 175.460 0.000 . 1 . . . . 28 LEU C . 16008 1 314 . 1 1 28 28 LEU CA C 13 54.390 0.000 . 1 . . . . 28 LEU CA . 16008 1 315 . 1 1 28 28 LEU CB C 13 41.490 0.000 . 1 . . . . 28 LEU CB . 16008 1 316 . 1 1 28 28 LEU CD1 C 13 22.610 0.000 . 1 . . . . 28 LEU CD1 . 16008 1 317 . 1 1 28 28 LEU CD2 C 13 24.810 0.000 . 1 . . . . 28 LEU CD2 . 16008 1 318 . 1 1 28 28 LEU CG C 13 27.064 0.000 . 1 . . . . 28 LEU CG . 16008 1 319 . 1 1 28 28 LEU N N 15 117.890 0.000 . 1 . . . . 28 LEU N . 16008 1 320 . 1 1 29 29 GLY H H 1 7.258 0.000 . 1 . . . . 29 GLY H . 16008 1 321 . 1 1 29 29 GLY HA2 H 1 3.567 0.000 . 2 . . . . 29 GLY HA2 . 16008 1 322 . 1 1 29 29 GLY HA3 H 1 4.282 0.000 . 2 . . . . 29 GLY HA3 . 16008 1 323 . 1 1 29 29 GLY C C 13 172.880 0.000 . 1 . . . . 29 GLY C . 16008 1 324 . 1 1 29 29 GLY CA C 13 43.080 0.000 . 1 . . . . 29 GLY CA . 16008 1 325 . 1 1 29 29 GLY N N 15 105.910 0.000 . 1 . . . . 29 GLY N . 16008 1 326 . 1 1 30 30 VAL H H 1 8.783 0.000 . 1 . . . . 30 VAL H . 16008 1 327 . 1 1 30 30 VAL HA H 1 4.069 0.000 . 1 . . . . 30 VAL HA . 16008 1 328 . 1 1 30 30 VAL HB H 1 0.580 0.000 . 1 . . . . 30 VAL HB . 16008 1 329 . 1 1 30 30 VAL HG11 H 1 0.393 0.000 . 2 . . . . 30 VAL HG11 . 16008 1 330 . 1 1 30 30 VAL HG12 H 1 0.393 0.000 . 2 . . . . 30 VAL HG12 . 16008 1 331 . 1 1 30 30 VAL HG13 H 1 0.393 0.000 . 2 . . . . 30 VAL HG13 . 16008 1 332 . 1 1 30 30 VAL HG21 H 1 0.601 0.000 . 2 . . . . 30 VAL HG21 . 16008 1 333 . 1 1 30 30 VAL HG22 H 1 0.601 0.000 . 2 . . . . 30 VAL HG22 . 16008 1 334 . 1 1 30 30 VAL HG23 H 1 0.601 0.000 . 2 . . . . 30 VAL HG23 . 16008 1 335 . 1 1 30 30 VAL C C 13 176.520 0.000 . 1 . . . . 30 VAL C . 16008 1 336 . 1 1 30 30 VAL CA C 13 62.240 0.000 . 1 . . . . 30 VAL CA . 16008 1 337 . 1 1 30 30 VAL CB C 13 31.200 0.000 . 1 . . . . 30 VAL CB . 16008 1 338 . 1 1 30 30 VAL CG1 C 13 20.786 0.000 . 1 . . . . 30 VAL CG1 . 16008 1 339 . 1 1 30 30 VAL CG2 C 13 22.454 0.000 . 1 . . . . 30 VAL CG2 . 16008 1 340 . 1 1 30 30 VAL N N 15 122.720 0.000 . 1 . . . . 30 VAL N . 16008 1 341 . 1 1 31 31 GLU H H 1 9.069 0.000 . 1 . . . . 31 GLU H . 16008 1 342 . 1 1 31 31 GLU HA H 1 3.430 0.000 . 1 . . . . 31 GLU HA . 16008 1 343 . 1 1 31 31 GLU HB2 H 1 2.070 0.000 . 2 . . . . 31 GLU HB2 . 16008 1 344 . 1 1 31 31 GLU HB3 H 1 1.467 0.000 . 2 . . . . 31 GLU HB3 . 16008 1 345 . 1 1 31 31 GLU HG2 H 1 2.360 0.000 . 2 . . . . 31 GLU HG2 . 16008 1 346 . 1 1 31 31 GLU HG3 H 1 1.852 0.000 . 2 . . . . 31 GLU HG3 . 16008 1 347 . 1 1 31 31 GLU C C 13 173.590 0.000 . 1 . . . . 31 GLU C . 16008 1 348 . 1 1 31 31 GLU CA C 13 56.790 0.000 . 1 . . . . 31 GLU CA . 16008 1 349 . 1 1 31 31 GLU CB C 13 30.130 0.000 . 1 . . . . 31 GLU CB . 16008 1 350 . 1 1 31 31 GLU CG C 13 35.923 0.000 . 1 . . . . 31 GLU CG . 16008 1 351 . 1 1 31 31 GLU N N 15 126.940 0.000 . 1 . . . . 31 GLU N . 16008 1 352 . 1 1 32 32 PHE H H 1 9.378 0.000 . 1 . . . . 32 PHE H . 16008 1 353 . 1 1 32 32 PHE HA H 1 5.047 0.000 . 1 . . . . 32 PHE HA . 16008 1 354 . 1 1 32 32 PHE HB2 H 1 3.317 0.000 . 2 . . . . 32 PHE HB2 . 16008 1 355 . 1 1 32 32 PHE HB3 H 1 3.199 0.000 . 2 . . . . 32 PHE HB3 . 16008 1 356 . 1 1 32 32 PHE HZ H 1 6.655 0.000 . 1 . . . . 32 PHE HZ . 16008 1 357 . 1 1 32 32 PHE C C 13 173.120 0.000 . 1 . . . . 32 PHE C . 16008 1 358 . 1 1 32 32 PHE CA C 13 56.030 0.000 . 1 . . . . 32 PHE CA . 16008 1 359 . 1 1 32 32 PHE CB C 13 39.820 0.000 . 1 . . . . 32 PHE CB . 16008 1 360 . 1 1 32 32 PHE CZ C 13 129.427 0.000 . 1 . . . . 32 PHE CZ . 16008 1 361 . 1 1 32 32 PHE N N 15 129.970 0.000 . 1 . . . . 32 PHE N . 16008 1 362 . 1 1 33 33 LEU H H 1 7.395 0.000 . 1 . . . . 33 LEU H . 16008 1 363 . 1 1 33 33 LEU HA H 1 5.096 0.000 . 1 . . . . 33 LEU HA . 16008 1 364 . 1 1 33 33 LEU HB2 H 1 1.371 0.000 . 2 . . . . 33 LEU HB2 . 16008 1 365 . 1 1 33 33 LEU HB3 H 1 0.935 0.000 . 2 . . . . 33 LEU HB3 . 16008 1 366 . 1 1 33 33 LEU HD11 H 1 -0.188 0.000 . 2 . . . . 33 LEU HD11 . 16008 1 367 . 1 1 33 33 LEU HD12 H 1 -0.188 0.000 . 2 . . . . 33 LEU HD12 . 16008 1 368 . 1 1 33 33 LEU HD13 H 1 -0.188 0.000 . 2 . . . . 33 LEU HD13 . 16008 1 369 . 1 1 33 33 LEU HD21 H 1 0.288 0.000 . 2 . . . . 33 LEU HD21 . 16008 1 370 . 1 1 33 33 LEU HD22 H 1 0.288 0.000 . 2 . . . . 33 LEU HD22 . 16008 1 371 . 1 1 33 33 LEU HD23 H 1 0.288 0.000 . 2 . . . . 33 LEU HD23 . 16008 1 372 . 1 1 33 33 LEU HG H 1 0.024 0.000 . 1 . . . . 33 LEU HG . 16008 1 373 . 1 1 33 33 LEU C C 13 174.820 0.000 . 1 . . . . 33 LEU C . 16008 1 374 . 1 1 33 33 LEU CA C 13 51.760 0.000 . 1 . . . . 33 LEU CA . 16008 1 375 . 1 1 33 33 LEU CB C 13 47.740 0.000 . 1 . . . . 33 LEU CB . 16008 1 376 . 1 1 33 33 LEU CD1 C 13 25.350 0.000 . 1 . . . . 33 LEU CD1 . 16008 1 377 . 1 1 33 33 LEU CD2 C 13 22.248 0.000 . 1 . . . . 33 LEU CD2 . 16008 1 378 . 1 1 33 33 LEU CG C 13 27.328 0.000 . 1 . . . . 33 LEU CG . 16008 1 379 . 1 1 33 33 LEU N N 15 115.450 0.000 . 1 . . . . 33 LEU N . 16008 1 380 . 1 1 34 34 LYS H H 1 9.063 0.000 . 1 . . . . 34 LYS H . 16008 1 381 . 1 1 34 34 LYS HA H 1 5.374 0.000 . 1 . . . . 34 LYS HA . 16008 1 382 . 1 1 34 34 LYS HB2 H 1 1.699 0.000 . 2 . . . . 34 LYS HB2 . 16008 1 383 . 1 1 34 34 LYS HB3 H 1 1.454 0.000 . 2 . . . . 34 LYS HB3 . 16008 1 384 . 1 1 34 34 LYS HD2 H 1 1.490 0.000 . 2 . . . . 34 LYS HD2 . 16008 1 385 . 1 1 34 34 LYS HD3 H 1 1.450 0.000 . 2 . . . . 34 LYS HD3 . 16008 1 386 . 1 1 34 34 LYS HE2 H 1 2.661 0.000 . 2 . . . . 34 LYS HE2 . 16008 1 387 . 1 1 34 34 LYS HE3 H 1 2.740 0.000 . 2 . . . . 34 LYS HE3 . 16008 1 388 . 1 1 34 34 LYS HG2 H 1 1.162 0.000 . 1 . . . . 34 LYS HG2 . 16008 1 389 . 1 1 34 34 LYS HG3 H 1 1.162 0.000 . 1 . . . . 34 LYS HG3 . 16008 1 390 . 1 1 34 34 LYS C C 13 175.330 0.000 . 1 . . . . 34 LYS C . 16008 1 391 . 1 1 34 34 LYS CA C 13 54.690 0.000 . 1 . . . . 34 LYS CA . 16008 1 392 . 1 1 34 34 LYS CB C 13 36.230 0.000 . 1 . . . . 34 LYS CB . 16008 1 393 . 1 1 34 34 LYS CD C 13 29.351 0.000 . 1 . . . . 34 LYS CD . 16008 1 394 . 1 1 34 34 LYS CE C 13 41.638 0.000 . 1 . . . . 34 LYS CE . 16008 1 395 . 1 1 34 34 LYS CG C 13 24.734 0.000 . 1 . . . . 34 LYS CG . 16008 1 396 . 1 1 34 34 LYS N N 15 119.180 0.000 . 1 . . . . 34 LYS N . 16008 1 397 . 1 1 35 35 ARG H H 1 7.892 0.000 . 1 . . . . 35 ARG H . 16008 1 398 . 1 1 35 35 ARG HA H 1 3.915 0.000 . 1 . . . . 35 ARG HA . 16008 1 399 . 1 1 35 35 ARG HB2 H 1 0.288 0.000 . 2 . . . . 35 ARG HB2 . 16008 1 400 . 1 1 35 35 ARG HB3 H 1 -0.439 0.000 . 2 . . . . 35 ARG HB3 . 16008 1 401 . 1 1 35 35 ARG HD2 H 1 2.237 0.000 . 2 . . . . 35 ARG HD2 . 16008 1 402 . 1 1 35 35 ARG HD3 H 1 1.590 0.000 . 2 . . . . 35 ARG HD3 . 16008 1 403 . 1 1 35 35 ARG HG2 H 1 1.054 0.000 . 2 . . . . 35 ARG HG2 . 16008 1 404 . 1 1 35 35 ARG HG3 H 1 0.607 0.000 . 2 . . . . 35 ARG HG3 . 16008 1 405 . 1 1 35 35 ARG C C 13 175.900 0.000 . 1 . . . . 35 ARG C . 16008 1 406 . 1 1 35 35 ARG CA C 13 56.590 0.000 . 1 . . . . 35 ARG CA . 16008 1 407 . 1 1 35 35 ARG CB C 13 30.120 0.000 . 1 . . . . 35 ARG CB . 16008 1 408 . 1 1 35 35 ARG CD C 13 42.618 0.000 . 1 . . . . 35 ARG CD . 16008 1 409 . 1 1 35 35 ARG CG C 13 25.620 0.000 . 1 . . . . 35 ARG CG . 16008 1 410 . 1 1 35 35 ARG N N 15 124.140 0.000 . 1 . . . . 35 ARG N . 16008 1 411 . 1 1 36 36 GLY H H 1 9.076 0.000 . 1 . . . . 36 GLY H . 16008 1 412 . 1 1 36 36 GLY HA2 H 1 3.526 0.000 . 2 . . . . 36 GLY HA2 . 16008 1 413 . 1 1 36 36 GLY HA3 H 1 3.741 0.000 . 2 . . . . 36 GLY HA3 . 16008 1 414 . 1 1 36 36 GLY C C 13 174.320 0.000 . 1 . . . . 36 GLY C . 16008 1 415 . 1 1 36 36 GLY CA C 13 46.940 0.000 . 1 . . . . 36 GLY CA . 16008 1 416 . 1 1 36 36 GLY N N 15 120.400 0.000 . 1 . . . . 36 GLY N . 16008 1 417 . 1 1 37 37 ASP H H 1 8.693 0.000 . 1 . . . . 37 ASP H . 16008 1 418 . 1 1 37 37 ASP HA H 1 4.545 0.000 . 1 . . . . 37 ASP HA . 16008 1 419 . 1 1 37 37 ASP HB2 H 1 2.686 0.000 . 2 . . . . 37 ASP HB2 . 16008 1 420 . 1 1 37 37 ASP HB3 H 1 2.620 0.000 . 2 . . . . 37 ASP HB3 . 16008 1 421 . 1 1 37 37 ASP C C 13 175.510 0.000 . 1 . . . . 37 ASP C . 16008 1 422 . 1 1 37 37 ASP CA C 13 53.540 0.000 . 1 . . . . 37 ASP CA . 16008 1 423 . 1 1 37 37 ASP CB C 13 40.488 0.000 . 1 . . . . 37 ASP CB . 16008 1 424 . 1 1 37 37 ASP N N 15 126.500 0.000 . 1 . . . . 37 ASP N . 16008 1 425 . 1 1 38 38 LYS H H 1 7.972 0.000 . 1 . . . . 38 LYS H . 16008 1 426 . 1 1 38 38 LYS HA H 1 4.752 0.000 . 1 . . . . 38 LYS HA . 16008 1 427 . 1 1 38 38 LYS HB2 H 1 2.151 0.000 . 2 . . . . 38 LYS HB2 . 16008 1 428 . 1 1 38 38 LYS HB3 H 1 1.718 0.000 . 2 . . . . 38 LYS HB3 . 16008 1 429 . 1 1 38 38 LYS HD2 H 1 1.755 0.000 . 2 . . . . 38 LYS HD2 . 16008 1 430 . 1 1 38 38 LYS HD3 H 1 1.700 0.000 . 2 . . . . 38 LYS HD3 . 16008 1 431 . 1 1 38 38 LYS HE2 H 1 3.055 0.000 . 2 . . . . 38 LYS HE2 . 16008 1 432 . 1 1 38 38 LYS HE3 H 1 2.960 0.000 . 2 . . . . 38 LYS HE3 . 16008 1 433 . 1 1 38 38 LYS HG2 H 1 1.540 0.000 . 2 . . . . 38 LYS HG2 . 16008 1 434 . 1 1 38 38 LYS HG3 H 1 1.590 0.000 . 2 . . . . 38 LYS HG3 . 16008 1 435 . 1 1 38 38 LYS C C 13 175.890 0.000 . 1 . . . . 38 LYS C . 16008 1 436 . 1 1 38 38 LYS CA C 13 54.430 0.000 . 1 . . . . 38 LYS CA . 16008 1 437 . 1 1 38 38 LYS CB C 13 34.080 0.000 . 1 . . . . 38 LYS CB . 16008 1 438 . 1 1 38 38 LYS CD C 13 28.765 0.000 . 1 . . . . 38 LYS CD . 16008 1 439 . 1 1 38 38 LYS CE C 13 41.953 0.000 . 1 . . . . 38 LYS CE . 16008 1 440 . 1 1 38 38 LYS CG C 13 24.220 0.000 . 1 . . . . 38 LYS CG . 16008 1 441 . 1 1 38 38 LYS N N 15 119.500 0.000 . 1 . . . . 38 LYS N . 16008 1 442 . 1 1 39 39 ILE H H 1 8.234 0.000 . 1 . . . . 39 ILE H . 16008 1 443 . 1 1 39 39 ILE HA H 1 4.696 0.000 . 1 . . . . 39 ILE HA . 16008 1 444 . 1 1 39 39 ILE HB H 1 1.462 0.000 . 1 . . . . 39 ILE HB . 16008 1 445 . 1 1 39 39 ILE HD11 H 1 0.710 0.000 . 1 . . . . 39 ILE HD11 . 16008 1 446 . 1 1 39 39 ILE HD12 H 1 0.710 0.000 . 1 . . . . 39 ILE HD12 . 16008 1 447 . 1 1 39 39 ILE HD13 H 1 0.710 0.000 . 1 . . . . 39 ILE HD13 . 16008 1 448 . 1 1 39 39 ILE HG12 H 1 1.390 0.000 . 2 . . . . 39 ILE HG12 . 16008 1 449 . 1 1 39 39 ILE HG13 H 1 0.573 0.000 . 2 . . . . 39 ILE HG13 . 16008 1 450 . 1 1 39 39 ILE HG21 H 1 -0.040 0.000 . 1 . . . . 39 ILE HG21 . 16008 1 451 . 1 1 39 39 ILE HG22 H 1 -0.040 0.000 . 1 . . . . 39 ILE HG22 . 16008 1 452 . 1 1 39 39 ILE HG23 H 1 -0.040 0.000 . 1 . . . . 39 ILE HG23 . 16008 1 453 . 1 1 39 39 ILE C C 13 174.120 0.000 . 1 . . . . 39 ILE C . 16008 1 454 . 1 1 39 39 ILE CA C 13 60.400 0.000 . 1 . . . . 39 ILE CA . 16008 1 455 . 1 1 39 39 ILE CB C 13 41.610 0.000 . 1 . . . . 39 ILE CB . 16008 1 456 . 1 1 39 39 ILE CD1 C 13 13.746 0.000 . 1 . . . . 39 ILE CD1 . 16008 1 457 . 1 1 39 39 ILE CG1 C 13 27.479 0.000 . 1 . . . . 39 ILE CG1 . 16008 1 458 . 1 1 39 39 ILE CG2 C 13 16.231 0.000 . 1 . . . . 39 ILE CG2 . 16008 1 459 . 1 1 39 39 ILE N N 15 121.510 0.000 . 1 . . . . 39 ILE N . 16008 1 460 . 1 1 40 40 VAL H H 1 9.193 0.000 . 1 . . . . 40 VAL H . 16008 1 461 . 1 1 40 40 VAL HA H 1 4.667 0.000 . 1 . . . . 40 VAL HA . 16008 1 462 . 1 1 40 40 VAL HB H 1 1.879 0.000 . 1 . . . . 40 VAL HB . 16008 1 463 . 1 1 40 40 VAL HG11 H 1 1.111 0.000 . 2 . . . . 40 VAL HG11 . 16008 1 464 . 1 1 40 40 VAL HG12 H 1 1.111 0.000 . 2 . . . . 40 VAL HG12 . 16008 1 465 . 1 1 40 40 VAL HG13 H 1 1.111 0.000 . 2 . . . . 40 VAL HG13 . 16008 1 466 . 1 1 40 40 VAL HG21 H 1 0.651 0.000 . 2 . . . . 40 VAL HG21 . 16008 1 467 . 1 1 40 40 VAL HG22 H 1 0.651 0.000 . 2 . . . . 40 VAL HG22 . 16008 1 468 . 1 1 40 40 VAL HG23 H 1 0.651 0.000 . 2 . . . . 40 VAL HG23 . 16008 1 469 . 1 1 40 40 VAL C C 13 176.190 0.000 . 1 . . . . 40 VAL C . 16008 1 470 . 1 1 40 40 VAL CA C 13 60.520 0.000 . 1 . . . . 40 VAL CA . 16008 1 471 . 1 1 40 40 VAL CB C 13 33.320 0.000 . 1 . . . . 40 VAL CB . 16008 1 472 . 1 1 40 40 VAL CG1 C 13 22.327 0.000 . 1 . . . . 40 VAL CG1 . 16008 1 473 . 1 1 40 40 VAL CG2 C 13 21.918 0.000 . 1 . . . . 40 VAL CG2 . 16008 1 474 . 1 1 40 40 VAL N N 15 125.090 0.000 . 1 . . . . 40 VAL N . 16008 1 475 . 1 1 41 41 TYR H H 1 9.517 0.000 . 1 . . . . 41 TYR H . 16008 1 476 . 1 1 41 41 TYR HA H 1 5.413 0.000 . 1 . . . . 41 TYR HA . 16008 1 477 . 1 1 41 41 TYR HB2 H 1 2.576 0.000 . 2 . . . . 41 TYR HB2 . 16008 1 478 . 1 1 41 41 TYR HB3 H 1 2.223 0.000 . 2 . . . . 41 TYR HB3 . 16008 1 479 . 1 1 41 41 TYR HD1 H 1 6.604 0.000 . 1 . . . . 41 TYR HD1 . 16008 1 480 . 1 1 41 41 TYR HD2 H 1 6.604 0.000 . 1 . . . . 41 TYR HD2 . 16008 1 481 . 1 1 41 41 TYR HE1 H 1 6.682 0.000 . 1 . . . . 41 TYR HE1 . 16008 1 482 . 1 1 41 41 TYR HE2 H 1 6.682 0.000 . 1 . . . . 41 TYR HE2 . 16008 1 483 . 1 1 41 41 TYR C C 13 176.780 0.000 . 1 . . . . 41 TYR C . 16008 1 484 . 1 1 41 41 TYR CA C 13 57.460 0.000 . 1 . . . . 41 TYR CA . 16008 1 485 . 1 1 41 41 TYR CB C 13 41.610 0.000 . 1 . . . . 41 TYR CB . 16008 1 486 . 1 1 41 41 TYR CD1 C 13 132.834 0.000 . 1 . . . . 41 TYR CD1 . 16008 1 487 . 1 1 41 41 TYR CE1 C 13 117.940 0.000 . 1 . . . . 41 TYR CE1 . 16008 1 488 . 1 1 41 41 TYR N N 15 127.870 0.000 . 1 . . . . 41 TYR N . 16008 1 489 . 1 1 42 42 HIS H H 1 9.317 0.000 . 1 . . . . 42 HIS H . 16008 1 490 . 1 1 42 42 HIS HA H 1 5.992 0.000 . 1 . . . . 42 HIS HA . 16008 1 491 . 1 1 42 42 HIS HB2 H 1 2.478 0.000 . 2 . . . . 42 HIS HB2 . 16008 1 492 . 1 1 42 42 HIS HB3 H 1 2.774 0.000 . 2 . . . . 42 HIS HB3 . 16008 1 493 . 1 1 42 42 HIS HD2 H 1 6.154 0.000 . 1 . . . . 42 HIS HD2 . 16008 1 494 . 1 1 42 42 HIS HE1 H 1 7.618 0.000 . 1 . . . . 42 HIS HE1 . 16008 1 495 . 1 1 42 42 HIS C C 13 174.240 0.000 . 1 . . . . 42 HIS C . 16008 1 496 . 1 1 42 42 HIS CA C 13 53.420 0.000 . 1 . . . . 42 HIS CA . 16008 1 497 . 1 1 42 42 HIS CB C 13 33.030 0.000 . 1 . . . . 42 HIS CB . 16008 1 498 . 1 1 42 42 HIS CD2 C 13 126.690 0.000 . 1 . . . . 42 HIS CD2 . 16008 1 499 . 1 1 42 42 HIS CE1 C 13 139.270 0.000 . 1 . . . . 42 HIS CE1 . 16008 1 500 . 1 1 42 42 HIS N N 15 116.140 0.000 . 1 . . . . 42 HIS N . 16008 1 501 . 1 1 43 43 THR H H 1 8.156 0.000 . 1 . . . . 43 THR H . 16008 1 502 . 1 1 43 43 THR HA H 1 4.443 0.000 . 1 . . . . 43 THR HA . 16008 1 503 . 1 1 43 43 THR HB H 1 4.630 0.000 . 1 . . . . 43 THR HB . 16008 1 504 . 1 1 43 43 THR HG21 H 1 1.172 0.000 . 1 . . . . 43 THR HG21 . 16008 1 505 . 1 1 43 43 THR HG22 H 1 1.172 0.000 . 1 . . . . 43 THR HG22 . 16008 1 506 . 1 1 43 43 THR HG23 H 1 1.172 0.000 . 1 . . . . 43 THR HG23 . 16008 1 507 . 1 1 43 43 THR C C 13 175.710 0.000 . 1 . . . . 43 THR C . 16008 1 508 . 1 1 43 43 THR CA C 13 61.190 0.000 . 1 . . . . 43 THR CA . 16008 1 509 . 1 1 43 43 THR CB C 13 69.350 0.000 . 1 . . . . 43 THR CB . 16008 1 510 . 1 1 43 43 THR CG2 C 13 23.262 0.000 . 1 . . . . 43 THR CG2 . 16008 1 511 . 1 1 43 43 THR N N 15 110.780 0.000 . 1 . . . . 43 THR N . 16008 1 512 . 1 1 44 44 LEU H H 1 8.661 0.000 . 1 . . . . 44 LEU H . 16008 1 513 . 1 1 44 44 LEU HA H 1 4.218 0.000 . 1 . . . . 44 LEU HA . 16008 1 514 . 1 1 44 44 LEU HB2 H 1 1.584 0.000 . 2 . . . . 44 LEU HB2 . 16008 1 515 . 1 1 44 44 LEU HB3 H 1 1.550 0.000 . 2 . . . . 44 LEU HB3 . 16008 1 516 . 1 1 44 44 LEU HD11 H 1 0.772 0.000 . 2 . . . . 44 LEU HD11 . 16008 1 517 . 1 1 44 44 LEU HD12 H 1 0.772 0.000 . 2 . . . . 44 LEU HD12 . 16008 1 518 . 1 1 44 44 LEU HD13 H 1 0.772 0.000 . 2 . . . . 44 LEU HD13 . 16008 1 519 . 1 1 44 44 LEU HD21 H 1 0.805 0.000 . 2 . . . . 44 LEU HD21 . 16008 1 520 . 1 1 44 44 LEU HD22 H 1 0.805 0.000 . 2 . . . . 44 LEU HD22 . 16008 1 521 . 1 1 44 44 LEU HD23 H 1 0.805 0.000 . 2 . . . . 44 LEU HD23 . 16008 1 522 . 1 1 44 44 LEU HG H 1 1.484 0.000 . 1 . . . . 44 LEU HG . 16008 1 523 . 1 1 44 44 LEU C C 13 177.030 0.000 . 1 . . . . 44 LEU C . 16008 1 524 . 1 1 44 44 LEU CA C 13 56.180 0.000 . 1 . . . . 44 LEU CA . 16008 1 525 . 1 1 44 44 LEU CB C 13 42.410 0.000 . 1 . . . . 44 LEU CB . 16008 1 526 . 1 1 44 44 LEU CD1 C 13 23.782 0.000 . 1 . . . . 44 LEU CD1 . 16008 1 527 . 1 1 44 44 LEU CD2 C 13 24.960 0.000 . 1 . . . . 44 LEU CD2 . 16008 1 528 . 1 1 44 44 LEU CG C 13 27.446 0.000 . 1 . . . . 44 LEU CG . 16008 1 529 . 1 1 44 44 LEU N N 15 120.040 0.000 . 1 . . . . 44 LEU N . 16008 1 530 . 1 1 45 45 GLU H H 1 7.557 0.000 . 1 . . . . 45 GLU H . 16008 1 531 . 1 1 45 45 GLU HA H 1 4.347 0.000 . 1 . . . . 45 GLU HA . 16008 1 532 . 1 1 45 45 GLU HB2 H 1 1.956 0.000 . 2 . . . . 45 GLU HB2 . 16008 1 533 . 1 1 45 45 GLU HB3 H 1 1.778 0.000 . 2 . . . . 45 GLU HB3 . 16008 1 534 . 1 1 45 45 GLU HG2 H 1 2.125 0.000 . 1 . . . . 45 GLU HG2 . 16008 1 535 . 1 1 45 45 GLU HG3 H 1 2.125 0.000 . 1 . . . . 45 GLU HG3 . 16008 1 536 . 1 1 45 45 GLU C C 13 174.230 0.000 . 1 . . . . 45 GLU C . 16008 1 537 . 1 1 45 45 GLU CA C 13 54.760 0.000 . 1 . . . . 45 GLU CA . 16008 1 538 . 1 1 45 45 GLU CB C 13 30.990 0.000 . 1 . . . . 45 GLU CB . 16008 1 539 . 1 1 45 45 GLU CG C 13 36.099 0.000 . 1 . . . . 45 GLU CG . 16008 1 540 . 1 1 45 45 GLU N N 15 116.830 0.000 . 1 . . . . 45 GLU N . 16008 1 541 . 1 1 46 46 SER H H 1 8.147 0.000 . 1 . . . . 46 SER H . 16008 1 542 . 1 1 46 46 SER HA H 1 4.454 0.000 . 1 . . . . 46 SER HA . 16008 1 543 . 1 1 46 46 SER HB2 H 1 3.681 0.000 . 2 . . . . 46 SER HB2 . 16008 1 544 . 1 1 46 46 SER HB3 H 1 3.572 0.000 . 2 . . . . 46 SER HB3 . 16008 1 545 . 1 1 46 46 SER CA C 13 56.090 0.000 . 1 . . . . 46 SER CA . 16008 1 546 . 1 1 46 46 SER CB C 13 63.545 0.000 . 1 . . . . 46 SER CB . 16008 1 547 . 1 1 46 46 SER N N 15 115.340 0.000 . 1 . . . . 46 SER N . 16008 1 548 . 1 1 47 47 PRO HA H 1 4.581 0.000 . 1 . . . . 47 PRO HA . 16008 1 549 . 1 1 47 47 PRO HB2 H 1 2.269 0.000 . 2 . . . . 47 PRO HB2 . 16008 1 550 . 1 1 47 47 PRO HB3 H 1 1.940 0.000 . 2 . . . . 47 PRO HB3 . 16008 1 551 . 1 1 47 47 PRO HD2 H 1 3.430 0.000 . 1 . . . . 47 PRO HD2 . 16008 1 552 . 1 1 47 47 PRO HD3 H 1 3.430 0.000 . 1 . . . . 47 PRO HD3 . 16008 1 553 . 1 1 47 47 PRO HG2 H 1 1.876 0.000 . 2 . . . . 47 PRO HG2 . 16008 1 554 . 1 1 47 47 PRO HG3 H 1 1.757 0.000 . 2 . . . . 47 PRO HG3 . 16008 1 555 . 1 1 47 47 PRO C C 13 175.530 0.000 . 1 . . . . 47 PRO C . 16008 1 556 . 1 1 47 47 PRO CA C 13 61.830 0.000 . 1 . . . . 47 PRO CA . 16008 1 557 . 1 1 47 47 PRO CB C 13 33.740 0.000 . 1 . . . . 47 PRO CB . 16008 1 558 . 1 1 47 47 PRO CD C 13 50.750 0.000 . 1 . . . . 47 PRO CD . 16008 1 559 . 1 1 47 47 PRO CG C 13 25.101 0.000 . 1 . . . . 47 PRO CG . 16008 1 560 . 1 1 48 48 VAL H H 1 8.196 0.000 . 1 . . . . 48 VAL H . 16008 1 561 . 1 1 48 48 VAL HA H 1 3.479 0.000 . 1 . . . . 48 VAL HA . 16008 1 562 . 1 1 48 48 VAL HB H 1 1.424 0.000 . 1 . . . . 48 VAL HB . 16008 1 563 . 1 1 48 48 VAL HG11 H 1 0.182 0.000 . 2 . . . . 48 VAL HG11 . 16008 1 564 . 1 1 48 48 VAL HG12 H 1 0.182 0.000 . 2 . . . . 48 VAL HG12 . 16008 1 565 . 1 1 48 48 VAL HG13 H 1 0.182 0.000 . 2 . . . . 48 VAL HG13 . 16008 1 566 . 1 1 48 48 VAL HG21 H 1 0.581 0.000 . 2 . . . . 48 VAL HG21 . 16008 1 567 . 1 1 48 48 VAL HG22 H 1 0.581 0.000 . 2 . . . . 48 VAL HG22 . 16008 1 568 . 1 1 48 48 VAL HG23 H 1 0.581 0.000 . 2 . . . . 48 VAL HG23 . 16008 1 569 . 1 1 48 48 VAL C C 13 173.960 0.000 . 1 . . . . 48 VAL C . 16008 1 570 . 1 1 48 48 VAL CA C 13 63.210 0.000 . 1 . . . . 48 VAL CA . 16008 1 571 . 1 1 48 48 VAL CB C 13 31.750 0.000 . 1 . . . . 48 VAL CB . 16008 1 572 . 1 1 48 48 VAL CG1 C 13 21.268 0.000 . 1 . . . . 48 VAL CG1 . 16008 1 573 . 1 1 48 48 VAL CG2 C 13 22.170 0.000 . 1 . . . . 48 VAL CG2 . 16008 1 574 . 1 1 48 48 VAL N N 15 125.450 0.000 . 1 . . . . 48 VAL N . 16008 1 575 . 1 1 49 49 GLU H H 1 7.648 0.000 . 1 . . . . 49 GLU H . 16008 1 576 . 1 1 49 49 GLU HA H 1 4.376 0.000 . 1 . . . . 49 GLU HA . 16008 1 577 . 1 1 49 49 GLU HB2 H 1 1.822 0.000 . 2 . . . . 49 GLU HB2 . 16008 1 578 . 1 1 49 49 GLU HB3 H 1 1.757 0.000 . 2 . . . . 49 GLU HB3 . 16008 1 579 . 1 1 49 49 GLU HG2 H 1 2.096 0.000 . 2 . . . . 49 GLU HG2 . 16008 1 580 . 1 1 49 49 GLU HG3 H 1 1.999 0.000 . 2 . . . . 49 GLU HG3 . 16008 1 581 . 1 1 49 49 GLU C C 13 174.460 0.000 . 1 . . . . 49 GLU C . 16008 1 582 . 1 1 49 49 GLU CA C 13 53.270 0.000 . 1 . . . . 49 GLU CA . 16008 1 583 . 1 1 49 49 GLU CB C 13 33.310 0.000 . 1 . . . . 49 GLU CB . 16008 1 584 . 1 1 49 49 GLU CG C 13 36.358 0.000 . 1 . . . . 49 GLU CG . 16008 1 585 . 1 1 49 49 GLU N N 15 123.100 0.000 . 1 . . . . 49 GLU N . 16008 1 586 . 1 1 50 50 PHE H H 1 7.973 0.000 . 1 . . . . 50 PHE H . 16008 1 587 . 1 1 50 50 PHE HA H 1 5.660 0.000 . 1 . . . . 50 PHE HA . 16008 1 588 . 1 1 50 50 PHE HB2 H 1 3.165 0.000 . 2 . . . . 50 PHE HB2 . 16008 1 589 . 1 1 50 50 PHE HB3 H 1 2.854 0.000 . 2 . . . . 50 PHE HB3 . 16008 1 590 . 1 1 50 50 PHE HD1 H 1 7.072 0.000 . 1 . . . . 50 PHE HD1 . 16008 1 591 . 1 1 50 50 PHE HD2 H 1 7.072 0.000 . 1 . . . . 50 PHE HD2 . 16008 1 592 . 1 1 50 50 PHE HE1 H 1 6.629 0.000 . 1 . . . . 50 PHE HE1 . 16008 1 593 . 1 1 50 50 PHE HE2 H 1 6.629 0.000 . 1 . . . . 50 PHE HE2 . 16008 1 594 . 1 1 50 50 PHE HZ H 1 6.960 0.000 . 1 . . . . 50 PHE HZ . 16008 1 595 . 1 1 50 50 PHE C C 13 175.230 0.000 . 1 . . . . 50 PHE C . 16008 1 596 . 1 1 50 50 PHE CA C 13 55.780 0.000 . 1 . . . . 50 PHE CA . 16008 1 597 . 1 1 50 50 PHE CB C 13 41.120 0.000 . 1 . . . . 50 PHE CB . 16008 1 598 . 1 1 50 50 PHE CD1 C 13 131.825 0.000 . 1 . . . . 50 PHE CD1 . 16008 1 599 . 1 1 50 50 PHE CE1 C 13 130.520 0.000 . 1 . . . . 50 PHE CE1 . 16008 1 600 . 1 1 50 50 PHE CZ C 13 128.224 0.000 . 1 . . . . 50 PHE CZ . 16008 1 601 . 1 1 50 50 PHE N N 15 118.100 0.000 . 1 . . . . 50 PHE N . 16008 1 602 . 1 1 51 51 HIS H H 1 9.077 0.000 . 1 . . . . 51 HIS H . 16008 1 603 . 1 1 51 51 HIS HA H 1 5.797 0.000 . 1 . . . . 51 HIS HA . 16008 1 604 . 1 1 51 51 HIS HB2 H 1 3.050 0.000 . 2 . . . . 51 HIS HB2 . 16008 1 605 . 1 1 51 51 HIS HB3 H 1 2.875 0.000 . 2 . . . . 51 HIS HB3 . 16008 1 606 . 1 1 51 51 HIS HD2 H 1 6.710 0.000 . 1 . . . . 51 HIS HD2 . 16008 1 607 . 1 1 51 51 HIS HE1 H 1 7.790 0.000 . 1 . . . . 51 HIS HE1 . 16008 1 608 . 1 1 51 51 HIS C C 13 173.220 0.000 . 1 . . . . 51 HIS C . 16008 1 609 . 1 1 51 51 HIS CA C 13 53.530 0.000 . 1 . . . . 51 HIS CA . 16008 1 610 . 1 1 51 51 HIS CB C 13 33.580 0.000 . 1 . . . . 51 HIS CB . 16008 1 611 . 1 1 51 51 HIS CD2 C 13 117.000 0.000 . 1 . . . . 51 HIS CD2 . 16008 1 612 . 1 1 51 51 HIS CE1 C 13 137.630 0.000 . 1 . . . . 51 HIS CE1 . 16008 1 613 . 1 1 51 51 HIS N N 15 118.850 0.000 . 1 . . . . 51 HIS N . 16008 1 614 . 1 1 52 52 LEU H H 1 8.567 0.000 . 1 . . . . 52 LEU H . 16008 1 615 . 1 1 52 52 LEU HA H 1 4.994 0.000 . 1 . . . . 52 LEU HA . 16008 1 616 . 1 1 52 52 LEU HB2 H 1 1.787 0.000 . 2 . . . . 52 LEU HB2 . 16008 1 617 . 1 1 52 52 LEU HB3 H 1 1.337 0.000 . 2 . . . . 52 LEU HB3 . 16008 1 618 . 1 1 52 52 LEU HD11 H 1 0.930 0.000 . 2 . . . . 52 LEU HD11 . 16008 1 619 . 1 1 52 52 LEU HD12 H 1 0.930 0.000 . 2 . . . . 52 LEU HD12 . 16008 1 620 . 1 1 52 52 LEU HD13 H 1 0.930 0.000 . 2 . . . . 52 LEU HD13 . 16008 1 621 . 1 1 52 52 LEU HD21 H 1 0.776 0.000 . 2 . . . . 52 LEU HD21 . 16008 1 622 . 1 1 52 52 LEU HD22 H 1 0.776 0.000 . 2 . . . . 52 LEU HD22 . 16008 1 623 . 1 1 52 52 LEU HD23 H 1 0.776 0.000 . 2 . . . . 52 LEU HD23 . 16008 1 624 . 1 1 52 52 LEU HG H 1 1.478 0.000 . 1 . . . . 52 LEU HG . 16008 1 625 . 1 1 52 52 LEU C C 13 175.800 0.000 . 1 . . . . 52 LEU C . 16008 1 626 . 1 1 52 52 LEU CA C 13 54.490 0.000 . 1 . . . . 52 LEU CA . 16008 1 627 . 1 1 52 52 LEU CB C 13 45.520 0.000 . 1 . . . . 52 LEU CB . 16008 1 628 . 1 1 52 52 LEU CD1 C 13 23.050 0.000 . 1 . . . . 52 LEU CD1 . 16008 1 629 . 1 1 52 52 LEU CD2 C 13 26.181 0.000 . 1 . . . . 52 LEU CD2 . 16008 1 630 . 1 1 52 52 LEU CG C 13 27.741 0.000 . 1 . . . . 52 LEU CG . 16008 1 631 . 1 1 52 52 LEU N N 15 122.060 0.000 . 1 . . . . 52 LEU N . 16008 1 632 . 1 1 53 53 ASP H H 1 10.277 0.000 . 1 . . . . 53 ASP H . 16008 1 633 . 1 1 53 53 ASP HA H 1 4.378 0.000 . 1 . . . . 53 ASP HA . 16008 1 634 . 1 1 53 53 ASP HB2 H 1 2.975 0.000 . 2 . . . . 53 ASP HB2 . 16008 1 635 . 1 1 53 53 ASP HB3 H 1 2.701 0.000 . 2 . . . . 53 ASP HB3 . 16008 1 636 . 1 1 53 53 ASP C C 13 175.740 0.000 . 1 . . . . 53 ASP C . 16008 1 637 . 1 1 53 53 ASP CA C 13 55.440 0.000 . 1 . . . . 53 ASP CA . 16008 1 638 . 1 1 53 53 ASP CB C 13 39.020 0.000 . 1 . . . . 53 ASP CB . 16008 1 639 . 1 1 53 53 ASP N N 15 129.910 0.000 . 1 . . . . 53 ASP N . 16008 1 640 . 1 1 54 54 GLY H H 1 9.092 0.000 . 1 . . . . 54 GLY H . 16008 1 641 . 1 1 54 54 GLY HA2 H 1 3.519 0.000 . 2 . . . . 54 GLY HA2 . 16008 1 642 . 1 1 54 54 GLY HA3 H 1 4.093 0.000 . 2 . . . . 54 GLY HA3 . 16008 1 643 . 1 1 54 54 GLY C C 13 173.390 0.000 . 1 . . . . 54 GLY C . 16008 1 644 . 1 1 54 54 GLY CA C 13 45.050 0.000 . 1 . . . . 54 GLY CA . 16008 1 645 . 1 1 54 54 GLY N N 15 104.310 0.000 . 1 . . . . 54 GLY N . 16008 1 646 . 1 1 55 55 GLU H H 1 7.858 0.000 . 1 . . . . 55 GLU H . 16008 1 647 . 1 1 55 55 GLU HA H 1 4.486 0.000 . 1 . . . . 55 GLU HA . 16008 1 648 . 1 1 55 55 GLU HB2 H 1 2.004 0.000 . 2 . . . . 55 GLU HB2 . 16008 1 649 . 1 1 55 55 GLU HB3 H 1 1.862 0.000 . 2 . . . . 55 GLU HB3 . 16008 1 650 . 1 1 55 55 GLU HG2 H 1 2.095 0.000 . 2 . . . . 55 GLU HG2 . 16008 1 651 . 1 1 55 55 GLU HG3 H 1 2.237 0.000 . 2 . . . . 55 GLU HG3 . 16008 1 652 . 1 1 55 55 GLU C C 13 174.950 0.000 . 1 . . . . 55 GLU C . 16008 1 653 . 1 1 55 55 GLU CA C 13 54.450 0.000 . 1 . . . . 55 GLU CA . 16008 1 654 . 1 1 55 55 GLU CB C 13 31.710 0.000 . 1 . . . . 55 GLU CB . 16008 1 655 . 1 1 55 55 GLU CG C 13 35.958 0.000 . 1 . . . . 55 GLU CG . 16008 1 656 . 1 1 55 55 GLU N N 15 121.610 0.000 . 1 . . . . 55 GLU N . 16008 1 657 . 1 1 56 56 VAL H H 1 8.437 0.000 . 1 . . . . 56 VAL H . 16008 1 658 . 1 1 56 56 VAL HA H 1 4.430 0.000 . 1 . . . . 56 VAL HA . 16008 1 659 . 1 1 56 56 VAL HB H 1 1.846 0.000 . 1 . . . . 56 VAL HB . 16008 1 660 . 1 1 56 56 VAL HG11 H 1 0.853 0.000 . 2 . . . . 56 VAL HG11 . 16008 1 661 . 1 1 56 56 VAL HG12 H 1 0.853 0.000 . 2 . . . . 56 VAL HG12 . 16008 1 662 . 1 1 56 56 VAL HG13 H 1 0.853 0.000 . 2 . . . . 56 VAL HG13 . 16008 1 663 . 1 1 56 56 VAL HG21 H 1 0.728 0.000 . 2 . . . . 56 VAL HG21 . 16008 1 664 . 1 1 56 56 VAL HG22 H 1 0.728 0.000 . 2 . . . . 56 VAL HG22 . 16008 1 665 . 1 1 56 56 VAL HG23 H 1 0.728 0.000 . 2 . . . . 56 VAL HG23 . 16008 1 666 . 1 1 56 56 VAL C C 13 175.840 0.000 . 1 . . . . 56 VAL C . 16008 1 667 . 1 1 56 56 VAL CA C 13 62.120 0.000 . 1 . . . . 56 VAL CA . 16008 1 668 . 1 1 56 56 VAL CB C 13 31.700 0.000 . 1 . . . . 56 VAL CB . 16008 1 669 . 1 1 56 56 VAL CG1 C 13 21.145 0.000 . 1 . . . . 56 VAL CG1 . 16008 1 670 . 1 1 56 56 VAL CG2 C 13 21.552 0.000 . 1 . . . . 56 VAL CG2 . 16008 1 671 . 1 1 56 56 VAL N N 15 124.290 0.000 . 1 . . . . 56 VAL N . 16008 1 672 . 1 1 57 57 LEU H H 1 8.691 0.000 . 1 . . . . 57 LEU H . 16008 1 673 . 1 1 57 57 LEU HA H 1 4.745 0.000 . 1 . . . . 57 LEU HA . 16008 1 674 . 1 1 57 57 LEU HB2 H 1 1.523 0.000 . 2 . . . . 57 LEU HB2 . 16008 1 675 . 1 1 57 57 LEU HB3 H 1 1.337 0.000 . 2 . . . . 57 LEU HB3 . 16008 1 676 . 1 1 57 57 LEU HD11 H 1 0.750 0.000 . 2 . . . . 57 LEU HD11 . 16008 1 677 . 1 1 57 57 LEU HD12 H 1 0.750 0.000 . 2 . . . . 57 LEU HD12 . 16008 1 678 . 1 1 57 57 LEU HD13 H 1 0.750 0.000 . 2 . . . . 57 LEU HD13 . 16008 1 679 . 1 1 57 57 LEU HD21 H 1 0.710 0.000 . 2 . . . . 57 LEU HD21 . 16008 1 680 . 1 1 57 57 LEU HD22 H 1 0.710 0.000 . 2 . . . . 57 LEU HD22 . 16008 1 681 . 1 1 57 57 LEU HD23 H 1 0.710 0.000 . 2 . . . . 57 LEU HD23 . 16008 1 682 . 1 1 57 57 LEU HG H 1 1.625 0.000 . 1 . . . . 57 LEU HG . 16008 1 683 . 1 1 57 57 LEU C C 13 176.220 0.000 . 1 . . . . 57 LEU C . 16008 1 684 . 1 1 57 57 LEU CA C 13 53.180 0.000 . 1 . . . . 57 LEU CA . 16008 1 685 . 1 1 57 57 LEU CB C 13 45.430 0.000 . 1 . . . . 57 LEU CB . 16008 1 686 . 1 1 57 57 LEU CD1 C 13 25.540 0.000 . 1 . . . . 57 LEU CD1 . 16008 1 687 . 1 1 57 57 LEU CD2 C 13 24.075 0.000 . 1 . . . . 57 LEU CD2 . 16008 1 688 . 1 1 57 57 LEU CG C 13 26.713 0.000 . 1 . . . . 57 LEU CG . 16008 1 689 . 1 1 57 57 LEU N N 15 128.470 0.000 . 1 . . . . 57 LEU N . 16008 1 690 . 1 1 58 58 SER H H 1 8.034 0.000 . 1 . . . . 58 SER H . 16008 1 691 . 1 1 58 58 SER HA H 1 4.487 0.000 . 1 . . . . 58 SER HA . 16008 1 692 . 1 1 58 58 SER HB2 H 1 4.324 0.000 . 2 . . . . 58 SER HB2 . 16008 1 693 . 1 1 58 58 SER HB3 H 1 3.994 0.000 . 2 . . . . 58 SER HB3 . 16008 1 694 . 1 1 58 58 SER C C 13 174.040 0.000 . 1 . . . . 58 SER C . 16008 1 695 . 1 1 58 58 SER CA C 13 56.700 0.000 . 1 . . . . 58 SER CA . 16008 1 696 . 1 1 58 58 SER CB C 13 64.300 0.000 . 1 . . . . 58 SER CB . 16008 1 697 . 1 1 58 58 SER N N 15 117.960 0.000 . 1 . . . . 58 SER N . 16008 1 698 . 1 1 59 59 LEU H H 1 9.345 0.000 . 1 . . . . 59 LEU H . 16008 1 699 . 1 1 59 59 LEU HA H 1 3.732 0.000 . 1 . . . . 59 LEU HA . 16008 1 700 . 1 1 59 59 LEU HB2 H 1 1.823 0.000 . 2 . . . . 59 LEU HB2 . 16008 1 701 . 1 1 59 59 LEU HB3 H 1 1.398 0.000 . 2 . . . . 59 LEU HB3 . 16008 1 702 . 1 1 59 59 LEU HD11 H 1 0.579 0.000 . 2 . . . . 59 LEU HD11 . 16008 1 703 . 1 1 59 59 LEU HD12 H 1 0.579 0.000 . 2 . . . . 59 LEU HD12 . 16008 1 704 . 1 1 59 59 LEU HD13 H 1 0.579 0.000 . 2 . . . . 59 LEU HD13 . 16008 1 705 . 1 1 59 59 LEU HD21 H 1 0.004 0.000 . 2 . . . . 59 LEU HD21 . 16008 1 706 . 1 1 59 59 LEU HD22 H 1 0.004 0.000 . 2 . . . . 59 LEU HD22 . 16008 1 707 . 1 1 59 59 LEU HD23 H 1 0.004 0.000 . 2 . . . . 59 LEU HD23 . 16008 1 708 . 1 1 59 59 LEU HG H 1 1.102 0.000 . 1 . . . . 59 LEU HG . 16008 1 709 . 1 1 59 59 LEU C C 13 177.310 0.000 . 1 . . . . 59 LEU C . 16008 1 710 . 1 1 59 59 LEU CA C 13 58.060 0.000 . 1 . . . . 59 LEU CA . 16008 1 711 . 1 1 59 59 LEU CB C 13 41.170 0.000 . 1 . . . . 59 LEU CB . 16008 1 712 . 1 1 59 59 LEU CD1 C 13 26.129 0.000 . 1 . . . . 59 LEU CD1 . 16008 1 713 . 1 1 59 59 LEU CD2 C 13 23.115 0.000 . 1 . . . . 59 LEU CD2 . 16008 1 714 . 1 1 59 59 LEU CG C 13 26.519 0.000 . 1 . . . . 59 LEU CG . 16008 1 715 . 1 1 59 59 LEU N N 15 122.080 0.000 . 1 . . . . 59 LEU N . 16008 1 716 . 1 1 60 60 ASP H H 1 8.309 0.000 . 1 . . . . 60 ASP H . 16008 1 717 . 1 1 60 60 ASP HA H 1 4.057 0.000 . 1 . . . . 60 ASP HA . 16008 1 718 . 1 1 60 60 ASP HB2 H 1 2.431 0.000 . 2 . . . . 60 ASP HB2 . 16008 1 719 . 1 1 60 60 ASP HB3 H 1 2.375 0.000 . 2 . . . . 60 ASP HB3 . 16008 1 720 . 1 1 60 60 ASP C C 13 178.660 0.000 . 1 . . . . 60 ASP C . 16008 1 721 . 1 1 60 60 ASP CA C 13 57.250 0.000 . 1 . . . . 60 ASP CA . 16008 1 722 . 1 1 60 60 ASP CB C 13 40.080 0.000 . 1 . . . . 60 ASP CB . 16008 1 723 . 1 1 60 60 ASP N N 15 115.680 0.000 . 1 . . . . 60 ASP N . 16008 1 724 . 1 1 61 61 LYS H H 1 7.622 0.000 . 1 . . . . 61 LYS H . 16008 1 725 . 1 1 61 61 LYS HA H 1 3.938 0.000 . 1 . . . . 61 LYS HA . 16008 1 726 . 1 1 61 61 LYS HB2 H 1 1.755 0.000 . 1 . . . . 61 LYS HB2 . 16008 1 727 . 1 1 61 61 LYS HB3 H 1 1.755 0.000 . 1 . . . . 61 LYS HB3 . 16008 1 728 . 1 1 61 61 LYS HD2 H 1 1.640 0.000 . 1 . . . . 61 LYS HD2 . 16008 1 729 . 1 1 61 61 LYS HD3 H 1 1.640 0.000 . 1 . . . . 61 LYS HD3 . 16008 1 730 . 1 1 61 61 LYS HG2 H 1 1.338 0.000 . 1 . . . . 61 LYS HG2 . 16008 1 731 . 1 1 61 61 LYS HG3 H 1 1.338 0.000 . 1 . . . . 61 LYS HG3 . 16008 1 732 . 1 1 61 61 LYS C C 13 178.890 0.000 . 1 . . . . 61 LYS C . 16008 1 733 . 1 1 61 61 LYS CA C 13 58.550 0.000 . 1 . . . . 61 LYS CA . 16008 1 734 . 1 1 61 61 LYS CB C 13 32.000 0.000 . 1 . . . . 61 LYS CB . 16008 1 735 . 1 1 61 61 LYS CD C 13 28.914 0.000 . 1 . . . . 61 LYS CD . 16008 1 736 . 1 1 61 61 LYS CG C 13 25.687 0.000 . 1 . . . . 61 LYS CG . 16008 1 737 . 1 1 61 61 LYS N N 15 121.240 0.000 . 1 . . . . 61 LYS N . 16008 1 738 . 1 1 62 62 LEU H H 1 8.719 0.000 . 1 . . . . 62 LEU H . 16008 1 739 . 1 1 62 62 LEU HA H 1 3.681 0.000 . 1 . . . . 62 LEU HA . 16008 1 740 . 1 1 62 62 LEU HB2 H 1 0.977 0.000 . 2 . . . . 62 LEU HB2 . 16008 1 741 . 1 1 62 62 LEU HB3 H 1 1.613 0.000 . 2 . . . . 62 LEU HB3 . 16008 1 742 . 1 1 62 62 LEU HD11 H 1 -0.081 0.000 . 2 . . . . 62 LEU HD11 . 16008 1 743 . 1 1 62 62 LEU HD12 H 1 -0.081 0.000 . 2 . . . . 62 LEU HD12 . 16008 1 744 . 1 1 62 62 LEU HD13 H 1 -0.081 0.000 . 2 . . . . 62 LEU HD13 . 16008 1 745 . 1 1 62 62 LEU HD21 H 1 0.442 0.000 . 2 . . . . 62 LEU HD21 . 16008 1 746 . 1 1 62 62 LEU HD22 H 1 0.442 0.000 . 2 . . . . 62 LEU HD22 . 16008 1 747 . 1 1 62 62 LEU HD23 H 1 0.442 0.000 . 2 . . . . 62 LEU HD23 . 16008 1 748 . 1 1 62 62 LEU HG H 1 0.882 0.000 . 1 . . . . 62 LEU HG . 16008 1 749 . 1 1 62 62 LEU C C 13 177.600 0.000 . 1 . . . . 62 LEU C . 16008 1 750 . 1 1 62 62 LEU CA C 13 58.020 0.000 . 1 . . . . 62 LEU CA . 16008 1 751 . 1 1 62 62 LEU CB C 13 40.290 0.000 . 1 . . . . 62 LEU CB . 16008 1 752 . 1 1 62 62 LEU CD1 C 13 25.251 0.000 . 1 . . . . 62 LEU CD1 . 16008 1 753 . 1 1 62 62 LEU CD2 C 13 24.382 0.000 . 1 . . . . 62 LEU CD2 . 16008 1 754 . 1 1 62 62 LEU CG C 13 26.448 0.000 . 1 . . . . 62 LEU CG . 16008 1 755 . 1 1 62 62 LEU N N 15 121.260 0.000 . 1 . . . . 62 LEU N . 16008 1 756 . 1 1 63 63 LYS H H 1 8.207 0.000 . 1 . . . . 63 LYS H . 16008 1 757 . 1 1 63 63 LYS HA H 1 3.339 0.000 . 1 . . . . 63 LYS HA . 16008 1 758 . 1 1 63 63 LYS HB2 H 1 1.587 0.000 . 1 . . . . 63 LYS HB2 . 16008 1 759 . 1 1 63 63 LYS HB3 H 1 1.587 0.000 . 1 . . . . 63 LYS HB3 . 16008 1 760 . 1 1 63 63 LYS HD2 H 1 1.203 0.000 . 2 . . . . 63 LYS HD2 . 16008 1 761 . 1 1 63 63 LYS HD3 H 1 1.216 0.000 . 2 . . . . 63 LYS HD3 . 16008 1 762 . 1 1 63 63 LYS HE2 H 1 2.219 0.000 . 2 . . . . 63 LYS HE2 . 16008 1 763 . 1 1 63 63 LYS HE3 H 1 2.445 0.000 . 2 . . . . 63 LYS HE3 . 16008 1 764 . 1 1 63 63 LYS HG2 H 1 1.029 0.000 . 2 . . . . 63 LYS HG2 . 16008 1 765 . 1 1 63 63 LYS HG3 H 1 0.656 0.000 . 2 . . . . 63 LYS HG3 . 16008 1 766 . 1 1 63 63 LYS C C 13 179.160 0.000 . 1 . . . . 63 LYS C . 16008 1 767 . 1 1 63 63 LYS CA C 13 60.640 0.000 . 1 . . . . 63 LYS CA . 16008 1 768 . 1 1 63 63 LYS CB C 13 31.570 0.000 . 1 . . . . 63 LYS CB . 16008 1 769 . 1 1 63 63 LYS CD C 13 29.391 0.000 . 1 . . . . 63 LYS CD . 16008 1 770 . 1 1 63 63 LYS CE C 13 41.441 0.000 . 1 . . . . 63 LYS CE . 16008 1 771 . 1 1 63 63 LYS CG C 13 26.197 0.000 . 1 . . . . 63 LYS CG . 16008 1 772 . 1 1 63 63 LYS N N 15 115.470 0.000 . 1 . . . . 63 LYS N . 16008 1 773 . 1 1 64 64 SER H H 1 7.355 0.000 . 1 . . . . 64 SER H . 16008 1 774 . 1 1 64 64 SER HA H 1 4.155 0.000 . 1 . . . . 64 SER HA . 16008 1 775 . 1 1 64 64 SER HB2 H 1 3.872 0.000 . 1 . . . . 64 SER HB2 . 16008 1 776 . 1 1 64 64 SER HB3 H 1 3.872 0.000 . 1 . . . . 64 SER HB3 . 16008 1 777 . 1 1 64 64 SER C C 13 176.080 0.000 . 1 . . . . 64 SER C . 16008 1 778 . 1 1 64 64 SER CA C 13 61.160 0.000 . 1 . . . . 64 SER CA . 16008 1 779 . 1 1 64 64 SER CB C 13 62.530 0.000 . 1 . . . . 64 SER CB . 16008 1 780 . 1 1 64 64 SER N N 15 113.400 0.000 . 1 . . . . 64 SER N . 16008 1 781 . 1 1 65 65 LEU H H 1 7.775 0.000 . 1 . . . . 65 LEU H . 16008 1 782 . 1 1 65 65 LEU HA H 1 4.179 0.000 . 1 . . . . 65 LEU HA . 16008 1 783 . 1 1 65 65 LEU HB2 H 1 1.623 0.000 . 2 . . . . 65 LEU HB2 . 16008 1 784 . 1 1 65 65 LEU HB3 H 1 1.468 0.000 . 2 . . . . 65 LEU HB3 . 16008 1 785 . 1 1 65 65 LEU HD11 H 1 0.765 0.000 . 2 . . . . 65 LEU HD11 . 16008 1 786 . 1 1 65 65 LEU HD12 H 1 0.765 0.000 . 2 . . . . 65 LEU HD12 . 16008 1 787 . 1 1 65 65 LEU HD13 H 1 0.765 0.000 . 2 . . . . 65 LEU HD13 . 16008 1 788 . 1 1 65 65 LEU HD21 H 1 0.720 0.000 . 2 . . . . 65 LEU HD21 . 16008 1 789 . 1 1 65 65 LEU HD22 H 1 0.720 0.000 . 2 . . . . 65 LEU HD22 . 16008 1 790 . 1 1 65 65 LEU HD23 H 1 0.720 0.000 . 2 . . . . 65 LEU HD23 . 16008 1 791 . 1 1 65 65 LEU HG H 1 1.630 0.000 . 1 . . . . 65 LEU HG . 16008 1 792 . 1 1 65 65 LEU C C 13 178.180 0.000 . 1 . . . . 65 LEU C . 16008 1 793 . 1 1 65 65 LEU CA C 13 56.680 0.000 . 1 . . . . 65 LEU CA . 16008 1 794 . 1 1 65 65 LEU CB C 13 41.880 0.000 . 1 . . . . 65 LEU CB . 16008 1 795 . 1 1 65 65 LEU CD1 C 13 25.690 0.000 . 1 . . . . 65 LEU CD1 . 16008 1 796 . 1 1 65 65 LEU CD2 C 13 24.052 0.000 . 1 . . . . 65 LEU CD2 . 16008 1 797 . 1 1 65 65 LEU CG C 13 27.100 0.000 . 1 . . . . 65 LEU CG . 16008 1 798 . 1 1 65 65 LEU N N 15 123.110 0.000 . 1 . . . . 65 LEU N . 16008 1 799 . 1 1 66 66 LEU H H 1 7.512 0.000 . 1 . . . . 66 LEU H . 16008 1 800 . 1 1 66 66 LEU HA H 1 4.090 0.000 . 1 . . . . 66 LEU HA . 16008 1 801 . 1 1 66 66 LEU HB2 H 1 1.345 0.000 . 2 . . . . 66 LEU HB2 . 16008 1 802 . 1 1 66 66 LEU HB3 H 1 1.455 0.000 . 2 . . . . 66 LEU HB3 . 16008 1 803 . 1 1 66 66 LEU HD11 H 1 -0.035 0.000 . 2 . . . . 66 LEU HD11 . 16008 1 804 . 1 1 66 66 LEU HD12 H 1 -0.035 0.000 . 2 . . . . 66 LEU HD12 . 16008 1 805 . 1 1 66 66 LEU HD13 H 1 -0.035 0.000 . 2 . . . . 66 LEU HD13 . 16008 1 806 . 1 1 66 66 LEU HD21 H 1 -0.798 0.000 . 2 . . . . 66 LEU HD21 . 16008 1 807 . 1 1 66 66 LEU HD22 H 1 -0.798 0.000 . 2 . . . . 66 LEU HD22 . 16008 1 808 . 1 1 66 66 LEU HD23 H 1 -0.798 0.000 . 2 . . . . 66 LEU HD23 . 16008 1 809 . 1 1 66 66 LEU HG H 1 1.291 0.000 . 1 . . . . 66 LEU HG . 16008 1 810 . 1 1 66 66 LEU C C 13 176.310 0.000 . 1 . . . . 66 LEU C . 16008 1 811 . 1 1 66 66 LEU CA C 13 55.130 0.000 . 1 . . . . 66 LEU CA . 16008 1 812 . 1 1 66 66 LEU CB C 13 41.780 0.000 . 1 . . . . 66 LEU CB . 16008 1 813 . 1 1 66 66 LEU CD1 C 13 25.485 0.000 . 1 . . . . 66 LEU CD1 . 16008 1 814 . 1 1 66 66 LEU CD2 C 13 20.288 0.000 . 1 . . . . 66 LEU CD2 . 16008 1 815 . 1 1 66 66 LEU CG C 13 25.472 0.000 . 1 . . . . 66 LEU CG . 16008 1 816 . 1 1 66 66 LEU N N 15 118.180 0.000 . 1 . . . . 66 LEU N . 16008 1 817 . 1 1 67 67 SER H H 1 7.190 0.000 . 1 . . . . 67 SER H . 16008 1 818 . 1 1 67 67 SER HA H 1 4.100 0.000 . 1 . . . . 67 SER HA . 16008 1 819 . 1 1 67 67 SER HB2 H 1 3.883 0.000 . 1 . . . . 67 SER HB2 . 16008 1 820 . 1 1 67 67 SER HB3 H 1 3.883 0.000 . 1 . . . . 67 SER HB3 . 16008 1 821 . 1 1 67 67 SER CA C 13 60.780 0.000 . 1 . . . . 67 SER CA . 16008 1 822 . 1 1 67 67 SER CB C 13 64.672 0.000 . 1 . . . . 67 SER CB . 16008 1 823 . 1 1 67 67 SER N N 15 118.200 0.000 . 1 . . . . 67 SER N . 16008 1 stop_ save_