data_30527 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30527 _Entry.Title ; De novo Designed Protein Foldit3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-10-17 _Entry.Accession_date 2018-10-17 _Entry.Last_release_date 2018-10-18 _Entry.Original_release_date 2018-10-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30527 stop_ 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.ORCID _Entry_author.Entry_ID 1 G. Liu G. . . . 30527 2 Y. Ishida Y. . . . 30527 3 G. Swapna G. V.T. . . 30527 4 S. Kleinfelter S. . . . 30527 5 B. Koepnick B. . . . 30527 6 D. Baker D. . . . 30527 7 G. Montelione G. T. . . 30527 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 30527 'de no designed foldit foldit3' . 30527 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30527 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 285 30527 '15N chemical shifts' 92 30527 '1H chemical shifts' 605 30527 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 . . 2019-06-20 2018-10-17 update BMRB 'update entry citation' 30527 1 . . 2019-06-07 2018-10-17 original author 'original release' 30527 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6MSP . 30527 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30527 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41586-019-1274-4 _Citation.PubMed_ID 31168091 _Citation.Full_citation . _Citation.Title ; De novo protein design by citizen scientists. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full Nature _Citation.Journal_volume 570 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1476-4687 _Citation.Journal_CSD 0353 _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 390 _Citation.Page_last 394 _Citation.Year 2019 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Brian Koepnick B. . . . 30527 1 2 Jeff Flatten J. . . . 30527 1 3 Tamir Husain T. . . . 30527 1 4 Alex Ford A. . . . 30527 1 5 Daniel-Adriano Silva D. A. . . 30527 1 6 Matthew Bick M. J. . . 30527 1 7 Aaron Bauer A. . . . 30527 1 8 Gaohua Liu G. . . . 30527 1 9 Yojiro Ishida Y. . . . 30527 1 10 Alexander Boykov A. . . . 30527 1 11 Roger Estep R. D. . . 30527 1 12 Susan Kleinfelter S. . . . 30527 1 13 Toke Norgard-Solano T. . . . 30527 1 14 Linda Wei L. . . . 30527 1 15 Foldit Players F. . . . 30527 1 16 Gaetano Montelione G. T. . . 30527 1 17 Frank DiMaio F. . . . 30527 1 18 Zoran Popovic Z. . . . 30527 1 19 Firas Khatib F. . . . 30527 1 20 Seth Cooper S. . . . 30527 1 21 David Baker D. . . . 30527 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30527 _Assembly.ID 1 _Assembly.Name 'De novo Designed Protein Foldit3' _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 entity_1 1 $entity_1 A A yes . . . . . . 30527 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30527 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MGHHHHHHENLYFQSHMTDE LLERLRQLFEELHERGTEIV VEVHINGERDEIRVRNISKE ELKKLLERIREKIEREGSSE VEVNVHSGGQTWTFNEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11725.060 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 30527 1 2 . GLY . 30527 1 3 . HIS . 30527 1 4 . HIS . 30527 1 5 . HIS . 30527 1 6 . HIS . 30527 1 7 . HIS . 30527 1 8 . HIS . 30527 1 9 . GLU . 30527 1 10 . ASN . 30527 1 11 . LEU . 30527 1 12 . TYR . 30527 1 13 . PHE . 30527 1 14 . GLN . 30527 1 15 . SER . 30527 1 16 . HIS . 30527 1 17 . MET . 30527 1 18 . THR . 30527 1 19 . ASP . 30527 1 20 . GLU . 30527 1 21 . LEU . 30527 1 22 . LEU . 30527 1 23 . GLU . 30527 1 24 . ARG . 30527 1 25 . LEU . 30527 1 26 . ARG . 30527 1 27 . GLN . 30527 1 28 . LEU . 30527 1 29 . PHE . 30527 1 30 . GLU . 30527 1 31 . GLU . 30527 1 32 . LEU . 30527 1 33 . HIS . 30527 1 34 . GLU . 30527 1 35 . ARG . 30527 1 36 . GLY . 30527 1 37 . THR . 30527 1 38 . GLU . 30527 1 39 . ILE . 30527 1 40 . VAL . 30527 1 41 . VAL . 30527 1 42 . GLU . 30527 1 43 . VAL . 30527 1 44 . HIS . 30527 1 45 . ILE . 30527 1 46 . ASN . 30527 1 47 . GLY . 30527 1 48 . GLU . 30527 1 49 . ARG . 30527 1 50 . ASP . 30527 1 51 . GLU . 30527 1 52 . ILE . 30527 1 53 . ARG . 30527 1 54 . VAL . 30527 1 55 . ARG . 30527 1 56 . ASN . 30527 1 57 . ILE . 30527 1 58 . SER . 30527 1 59 . LYS . 30527 1 60 . GLU . 30527 1 61 . GLU . 30527 1 62 . LEU . 30527 1 63 . LYS . 30527 1 64 . LYS . 30527 1 65 . LEU . 30527 1 66 . LEU . 30527 1 67 . GLU . 30527 1 68 . ARG . 30527 1 69 . ILE . 30527 1 70 . ARG . 30527 1 71 . GLU . 30527 1 72 . LYS . 30527 1 73 . ILE . 30527 1 74 . GLU . 30527 1 75 . ARG . 30527 1 76 . GLU . 30527 1 77 . GLY . 30527 1 78 . SER . 30527 1 79 . SER . 30527 1 80 . GLU . 30527 1 81 . VAL . 30527 1 82 . GLU . 30527 1 83 . VAL . 30527 1 84 . ASN . 30527 1 85 . VAL . 30527 1 86 . HIS . 30527 1 87 . SER . 30527 1 88 . GLY . 30527 1 89 . GLY . 30527 1 90 . GLN . 30527 1 91 . THR . 30527 1 92 . TRP . 30527 1 93 . THR . 30527 1 94 . PHE . 30527 1 95 . ASN . 30527 1 96 . GLU . 30527 1 97 . LYS . 30527 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 30527 1 . GLY 2 2 30527 1 . HIS 3 3 30527 1 . HIS 4 4 30527 1 . HIS 5 5 30527 1 . HIS 6 6 30527 1 . HIS 7 7 30527 1 . HIS 8 8 30527 1 . GLU 9 9 30527 1 . ASN 10 10 30527 1 . LEU 11 11 30527 1 . TYR 12 12 30527 1 . PHE 13 13 30527 1 . GLN 14 14 30527 1 . SER 15 15 30527 1 . HIS 16 16 30527 1 . MET 17 17 30527 1 . THR 18 18 30527 1 . ASP 19 19 30527 1 . GLU 20 20 30527 1 . LEU 21 21 30527 1 . LEU 22 22 30527 1 . GLU 23 23 30527 1 . ARG 24 24 30527 1 . LEU 25 25 30527 1 . ARG 26 26 30527 1 . GLN 27 27 30527 1 . LEU 28 28 30527 1 . PHE 29 29 30527 1 . GLU 30 30 30527 1 . GLU 31 31 30527 1 . LEU 32 32 30527 1 . HIS 33 33 30527 1 . GLU 34 34 30527 1 . ARG 35 35 30527 1 . GLY 36 36 30527 1 . THR 37 37 30527 1 . GLU 38 38 30527 1 . ILE 39 39 30527 1 . VAL 40 40 30527 1 . VAL 41 41 30527 1 . GLU 42 42 30527 1 . VAL 43 43 30527 1 . HIS 44 44 30527 1 . ILE 45 45 30527 1 . ASN 46 46 30527 1 . GLY 47 47 30527 1 . GLU 48 48 30527 1 . ARG 49 49 30527 1 . ASP 50 50 30527 1 . GLU 51 51 30527 1 . ILE 52 52 30527 1 . ARG 53 53 30527 1 . VAL 54 54 30527 1 . ARG 55 55 30527 1 . ASN 56 56 30527 1 . ILE 57 57 30527 1 . SER 58 58 30527 1 . LYS 59 59 30527 1 . GLU 60 60 30527 1 . GLU 61 61 30527 1 . LEU 62 62 30527 1 . LYS 63 63 30527 1 . LYS 64 64 30527 1 . LEU 65 65 30527 1 . LEU 66 66 30527 1 . GLU 67 67 30527 1 . ARG 68 68 30527 1 . ILE 69 69 30527 1 . ARG 70 70 30527 1 . GLU 71 71 30527 1 . LYS 72 72 30527 1 . ILE 73 73 30527 1 . GLU 74 74 30527 1 . ARG 75 75 30527 1 . GLU 76 76 30527 1 . GLY 77 77 30527 1 . SER 78 78 30527 1 . SER 79 79 30527 1 . GLU 80 80 30527 1 . VAL 81 81 30527 1 . GLU 82 82 30527 1 . VAL 83 83 30527 1 . ASN 84 84 30527 1 . VAL 85 85 30527 1 . HIS 86 86 30527 1 . SER 87 87 30527 1 . GLY 88 88 30527 1 . GLY 89 89 30527 1 . GLN 90 90 30527 1 . THR 91 91 30527 1 . TRP 92 92 30527 1 . THR 93 93 30527 1 . PHE 94 94 30527 1 . ASN 95 95 30527 1 . GLU 96 96 30527 1 . LYS 97 97 30527 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 30527 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 32630 . . 'synthetic construct' . . . . . . . . . . . . . . . . . . . . 30527 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 30527 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli K-12' . . 83333 . . . . . . . . . . . . 30527 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30527 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.3 mM [U-13C; U-15N] foldit3, 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 foldit3 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.3 . . mM 0.05 . . . 30527 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 30527 _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' 0.2 . mM 30527 1 pH 6.5 . pH 30527 1 pressure 1 . atm 30527 1 temperature 298 . K 30527 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30527 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30527 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30527 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30527 _Software.ID 2 _Software.Type . _Software.Name AutoStructure _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 30527 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30527 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30527 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30527 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30527 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30527 _Software.ID 4 _Software.Type . _Software.Name AutoAssign _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 30527 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30527 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30527 _Software.ID 5 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30527 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 30527 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30527 _Software.ID 6 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30527 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30527 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30527 _Software.ID 7 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30527 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30527 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30527 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30527 _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 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . 30527 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 30527 _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 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30527 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30527 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30527 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30527 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30527 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30527 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30527 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30527 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30527 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30527 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30527 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30527 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30527 _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 $chem_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 '3D 1H-13C NOESY' . . . 30527 1 2 '3D 1H-15N NOESY' . . . 30527 1 3 '3D HNCACB' . . . 30527 1 4 '3D CBCA(CO)NH' . . . 30527 1 5 '3D HNCO' . . . 30527 1 6 '3D HCCH-TOCSY' . . . 30527 1 7 '2D 1H-13C HSQC' . . . 30527 1 8 '2D 1H-15N HSQC' . . . 30527 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HG2 H 1 2.466 0.020 . 2 . . . . A 1 MET HG2 . 30527 1 2 . 1 1 1 1 MET HG3 H 1 2.467 0.020 . 2 . . . . A 1 MET HG3 . 30527 1 3 . 1 1 1 1 MET CG C 13 32.165 0.400 . 1 . . . . A 1 MET CG . 30527 1 4 . 1 1 2 2 GLY H H 1 8.514 0.020 . 1 . . . . A 2 GLY H . 30527 1 5 . 1 1 2 2 GLY HA3 H 1 3.923 0.020 . 2 . . . . A 2 GLY HA3 . 30527 1 6 . 1 1 2 2 GLY CA C 13 44.912 0.400 . 1 . . . . A 2 GLY CA . 30527 1 7 . 1 1 2 2 GLY N N 15 110.134 0.400 . 1 . . . . A 2 GLY N . 30527 1 8 . 1 1 7 7 HIS H H 1 8.131 0.020 . 1 . . . . A 7 HIS H . 30527 1 9 . 1 1 7 7 HIS N N 15 117.287 0.400 . 1 . . . . A 7 HIS N . 30527 1 10 . 1 1 8 8 HIS H H 1 8.122 0.020 . 1 . . . . A 8 HIS H . 30527 1 11 . 1 1 8 8 HIS HA H 1 4.599 0.020 . 1 . . . . A 8 HIS HA . 30527 1 12 . 1 1 8 8 HIS HB2 H 1 2.960 0.020 . 2 . . . . A 8 HIS HB2 . 30527 1 13 . 1 1 8 8 HIS HB3 H 1 3.034 0.020 . 2 . . . . A 8 HIS HB3 . 30527 1 14 . 1 1 8 8 HIS CA C 13 55.786 0.400 . 1 . . . . A 8 HIS CA . 30527 1 15 . 1 1 8 8 HIS CB C 13 30.434 0.400 . 1 . . . . A 8 HIS CB . 30527 1 16 . 1 1 8 8 HIS N N 15 119.738 0.400 . 1 . . . . A 8 HIS N . 30527 1 17 . 1 1 10 10 ASN HD21 H 1 6.873 0.020 . 2 . . . . A 10 ASN HD21 . 30527 1 18 . 1 1 10 10 ASN HD22 H 1 7.524 0.020 . 2 . . . . A 10 ASN HD22 . 30527 1 19 . 1 1 10 10 ASN ND2 N 15 112.513 0.400 . 1 . . . . A 10 ASN ND2 . 30527 1 20 . 1 1 11 11 LEU H H 1 8.549 0.020 . 1 . . . . A 11 LEU H . 30527 1 21 . 1 1 11 11 LEU HA H 1 4.338 0.020 . 1 . . . . A 11 LEU HA . 30527 1 22 . 1 1 11 11 LEU HB2 H 1 1.389 0.020 . 2 . . . . A 11 LEU HB2 . 30527 1 23 . 1 1 11 11 LEU HD11 H 1 0.768 0.020 . 2 . . . . A 11 LEU HD11 . 30527 1 24 . 1 1 11 11 LEU HD12 H 1 0.768 0.020 . 2 . . . . A 11 LEU HD12 . 30527 1 25 . 1 1 11 11 LEU HD13 H 1 0.768 0.020 . 2 . . . . A 11 LEU HD13 . 30527 1 26 . 1 1 11 11 LEU HD21 H 1 0.749 0.020 . 2 . . . . A 11 LEU HD21 . 30527 1 27 . 1 1 11 11 LEU HD22 H 1 0.749 0.020 . 2 . . . . A 11 LEU HD22 . 30527 1 28 . 1 1 11 11 LEU HD23 H 1 0.749 0.020 . 2 . . . . A 11 LEU HD23 . 30527 1 29 . 1 1 11 11 LEU CA C 13 55.238 0.400 . 1 . . . . A 11 LEU CA . 30527 1 30 . 1 1 11 11 LEU CB C 13 42.996 0.400 . 1 . . . . A 11 LEU CB . 30527 1 31 . 1 1 11 11 LEU CD1 C 13 23.786 0.400 . 1 . . . . A 11 LEU CD1 . 30527 1 32 . 1 1 11 11 LEU CD2 C 13 24.240 0.400 . 1 . . . . A 11 LEU CD2 . 30527 1 33 . 1 1 11 11 LEU N N 15 120.290 0.400 . 1 . . . . A 11 LEU N . 30527 1 34 . 1 1 12 12 TYR HB2 H 1 2.797 0.020 . 2 . . . . A 12 TYR HB2 . 30527 1 35 . 1 1 12 12 TYR HB3 H 1 2.920 0.020 . 2 . . . . A 12 TYR HB3 . 30527 1 36 . 1 1 12 12 TYR HD1 H 1 6.984 0.020 . 1 . . . . A 12 TYR HD1 . 30527 1 37 . 1 1 12 12 TYR HE1 H 1 6.731 0.020 . 1 . . . . A 12 TYR HE1 . 30527 1 38 . 1 1 12 12 TYR CB C 13 39.839 0.400 . 1 . . . . A 12 TYR CB . 30527 1 39 . 1 1 12 12 TYR CD1 C 13 133.230 0.400 . 1 . . . . A 12 TYR CD1 . 30527 1 40 . 1 1 12 12 TYR CE1 C 13 118.112 0.400 . 1 . . . . A 12 TYR CE1 . 30527 1 41 . 1 1 14 14 GLN HA H 1 4.325 0.020 . 1 . . . . A 14 GLN HA . 30527 1 42 . 1 1 14 14 GLN HB2 H 1 2.128 0.020 . 2 . . . . A 14 GLN HB2 . 30527 1 43 . 1 1 14 14 GLN HB3 H 1 2.357 0.020 . 2 . . . . A 14 GLN HB3 . 30527 1 44 . 1 1 14 14 GLN HE21 H 1 6.885 0.020 . 2 . . . . A 14 GLN HE21 . 30527 1 45 . 1 1 14 14 GLN HE22 H 1 7.611 0.020 . 2 . . . . A 14 GLN HE22 . 30527 1 46 . 1 1 14 14 GLN NE2 N 15 112.446 0.400 . 1 . . . . A 14 GLN NE2 . 30527 1 47 . 1 1 15 15 SER H H 1 8.373 0.020 . 1 . . . . A 15 SER H . 30527 1 48 . 1 1 15 15 SER HA H 1 4.502 0.020 . 1 . . . . A 15 SER HA . 30527 1 49 . 1 1 15 15 SER HB3 H 1 3.816 0.020 . 2 . . . . A 15 SER HB3 . 30527 1 50 . 1 1 15 15 SER N N 15 116.125 0.400 . 1 . . . . A 15 SER N . 30527 1 51 . 1 1 17 17 MET H H 1 8.266 0.020 . 1 . . . . A 17 MET H . 30527 1 52 . 1 1 17 17 MET N N 15 122.265 0.400 . 1 . . . . A 17 MET N . 30527 1 53 . 1 1 18 18 THR HA H 1 3.872 0.020 . 1 . . . . A 18 THR HA . 30527 1 54 . 1 1 18 18 THR HB H 1 4.171 0.020 . 1 . . . . A 18 THR HB . 30527 1 55 . 1 1 18 18 THR HG21 H 1 1.179 0.020 . 1 . . . . A 18 THR HG21 . 30527 1 56 . 1 1 18 18 THR HG22 H 1 1.179 0.020 . 1 . . . . A 18 THR HG22 . 30527 1 57 . 1 1 18 18 THR HG23 H 1 1.179 0.020 . 1 . . . . A 18 THR HG23 . 30527 1 58 . 1 1 18 18 THR CA C 13 65.712 0.400 . 1 . . . . A 18 THR CA . 30527 1 59 . 1 1 18 18 THR CB C 13 68.419 0.400 . 1 . . . . A 18 THR CB . 30527 1 60 . 1 1 18 18 THR CG2 C 13 22.962 0.400 . 1 . . . . A 18 THR CG2 . 30527 1 61 . 1 1 21 21 LEU H H 1 7.679 0.020 . 1 . . . . A 21 LEU H . 30527 1 62 . 1 1 21 21 LEU HB2 H 1 1.630 0.020 . 2 . . . . A 21 LEU HB2 . 30527 1 63 . 1 1 21 21 LEU HB3 H 1 1.570 0.020 . 2 . . . . A 21 LEU HB3 . 30527 1 64 . 1 1 21 21 LEU HD11 H 1 0.743 0.020 . 2 . . . . A 21 LEU HD11 . 30527 1 65 . 1 1 21 21 LEU HD12 H 1 0.743 0.020 . 2 . . . . A 21 LEU HD12 . 30527 1 66 . 1 1 21 21 LEU HD13 H 1 0.743 0.020 . 2 . . . . A 21 LEU HD13 . 30527 1 67 . 1 1 21 21 LEU HD21 H 1 0.749 0.020 . 2 . . . . A 21 LEU HD21 . 30527 1 68 . 1 1 21 21 LEU HD22 H 1 0.749 0.020 . 2 . . . . A 21 LEU HD22 . 30527 1 69 . 1 1 21 21 LEU HD23 H 1 0.749 0.020 . 2 . . . . A 21 LEU HD23 . 30527 1 70 . 1 1 21 21 LEU CB C 13 41.143 0.400 . 1 . . . . A 21 LEU CB . 30527 1 71 . 1 1 21 21 LEU CD1 C 13 24.967 0.400 . 1 . . . . A 21 LEU CD1 . 30527 1 72 . 1 1 21 21 LEU CD2 C 13 24.163 0.400 . 1 . . . . A 21 LEU CD2 . 30527 1 73 . 1 1 21 21 LEU N N 15 122.023 0.400 . 1 . . . . A 21 LEU N . 30527 1 74 . 1 1 22 22 LEU H H 1 8.247 0.020 . 1 . . . . A 22 LEU H . 30527 1 75 . 1 1 22 22 LEU HA H 1 3.727 0.020 . 1 . . . . A 22 LEU HA . 30527 1 76 . 1 1 22 22 LEU HB2 H 1 1.893 0.020 . 2 . . . . A 22 LEU HB2 . 30527 1 77 . 1 1 22 22 LEU HB3 H 1 1.446 0.020 . 2 . . . . A 22 LEU HB3 . 30527 1 78 . 1 1 22 22 LEU HG H 1 1.779 0.020 . 1 . . . . A 22 LEU HG . 30527 1 79 . 1 1 22 22 LEU HD11 H 1 0.836 0.020 . 2 . . . . A 22 LEU HD11 . 30527 1 80 . 1 1 22 22 LEU HD12 H 1 0.836 0.020 . 2 . . . . A 22 LEU HD12 . 30527 1 81 . 1 1 22 22 LEU HD13 H 1 0.836 0.020 . 2 . . . . A 22 LEU HD13 . 30527 1 82 . 1 1 22 22 LEU HD21 H 1 0.698 0.020 . 2 . . . . A 22 LEU HD21 . 30527 1 83 . 1 1 22 22 LEU HD22 H 1 0.698 0.020 . 2 . . . . A 22 LEU HD22 . 30527 1 84 . 1 1 22 22 LEU HD23 H 1 0.698 0.020 . 2 . . . . A 22 LEU HD23 . 30527 1 85 . 1 1 22 22 LEU CA C 13 57.577 0.400 . 1 . . . . A 22 LEU CA . 30527 1 86 . 1 1 22 22 LEU CB C 13 40.680 0.400 . 1 . . . . A 22 LEU CB . 30527 1 87 . 1 1 22 22 LEU CG C 13 27.177 0.400 . 1 . . . . A 22 LEU CG . 30527 1 88 . 1 1 22 22 LEU CD1 C 13 25.893 0.400 . 1 . . . . A 22 LEU CD1 . 30527 1 89 . 1 1 22 22 LEU CD2 C 13 22.617 0.400 . 1 . . . . A 22 LEU CD2 . 30527 1 90 . 1 1 22 22 LEU N N 15 117.651 0.400 . 1 . . . . A 22 LEU N . 30527 1 91 . 1 1 23 23 GLU H H 1 7.820 0.020 . 1 . . . . A 23 GLU H . 30527 1 92 . 1 1 23 23 GLU HA H 1 4.316 0.020 . 1 . . . . A 23 GLU HA . 30527 1 93 . 1 1 23 23 GLU HB2 H 1 2.078 0.020 . 2 . . . . A 23 GLU HB2 . 30527 1 94 . 1 1 23 23 GLU HB3 H 1 1.983 0.020 . 2 . . . . A 23 GLU HB3 . 30527 1 95 . 1 1 23 23 GLU HG2 H 1 2.396 0.020 . 2 . . . . A 23 GLU HG2 . 30527 1 96 . 1 1 23 23 GLU HG3 H 1 2.176 0.020 . 2 . . . . A 23 GLU HG3 . 30527 1 97 . 1 1 23 23 GLU CA C 13 58.206 0.400 . 1 . . . . A 23 GLU CA . 30527 1 98 . 1 1 23 23 GLU CB C 13 28.707 0.400 . 1 . . . . A 23 GLU CB . 30527 1 99 . 1 1 23 23 GLU CG C 13 35.119 0.400 . 1 . . . . A 23 GLU CG . 30527 1 100 . 1 1 23 23 GLU N N 15 120.560 0.400 . 1 . . . . A 23 GLU N . 30527 1 101 . 1 1 24 24 ARG H H 1 7.843 0.020 . 1 . . . . A 24 ARG H . 30527 1 102 . 1 1 24 24 ARG HA H 1 3.967 0.020 . 1 . . . . A 24 ARG HA . 30527 1 103 . 1 1 24 24 ARG HB2 H 1 1.861 0.020 . 2 . . . . A 24 ARG HB2 . 30527 1 104 . 1 1 24 24 ARG HG2 H 1 1.726 0.020 . 2 . . . . A 24 ARG HG2 . 30527 1 105 . 1 1 24 24 ARG HG3 H 1 1.729 0.020 . 2 . . . . A 24 ARG HG3 . 30527 1 106 . 1 1 24 24 ARG CA C 13 58.914 0.400 . 1 . . . . A 24 ARG CA . 30527 1 107 . 1 1 24 24 ARG CB C 13 29.083 0.400 . 1 . . . . A 24 ARG CB . 30527 1 108 . 1 1 24 24 ARG CG C 13 27.316 0.400 . 1 . . . . A 24 ARG CG . 30527 1 109 . 1 1 24 24 ARG N N 15 119.654 0.400 . 1 . . . . A 24 ARG N . 30527 1 110 . 1 1 25 25 LEU H H 1 8.073 0.020 . 1 . . . . A 25 LEU H . 30527 1 111 . 1 1 25 25 LEU HA H 1 3.219 0.020 . 1 . . . . A 25 LEU HA . 30527 1 112 . 1 1 25 25 LEU HB2 H 1 1.317 0.020 . 2 . . . . A 25 LEU HB2 . 30527 1 113 . 1 1 25 25 LEU HB3 H 1 0.700 0.020 . 2 . . . . A 25 LEU HB3 . 30527 1 114 . 1 1 25 25 LEU HG H 1 0.945 0.020 . 1 . . . . A 25 LEU HG . 30527 1 115 . 1 1 25 25 LEU HD11 H 1 0.033 0.020 . 2 . . . . A 25 LEU HD11 . 30527 1 116 . 1 1 25 25 LEU HD12 H 1 0.033 0.020 . 2 . . . . A 25 LEU HD12 . 30527 1 117 . 1 1 25 25 LEU HD13 H 1 0.033 0.020 . 2 . . . . A 25 LEU HD13 . 30527 1 118 . 1 1 25 25 LEU HD21 H 1 0.443 0.020 . 2 . . . . A 25 LEU HD21 . 30527 1 119 . 1 1 25 25 LEU HD22 H 1 0.443 0.020 . 2 . . . . A 25 LEU HD22 . 30527 1 120 . 1 1 25 25 LEU HD23 H 1 0.443 0.020 . 2 . . . . A 25 LEU HD23 . 30527 1 121 . 1 1 25 25 LEU CA C 13 57.343 0.400 . 1 . . . . A 25 LEU CA . 30527 1 122 . 1 1 25 25 LEU CB C 13 41.238 0.400 . 1 . . . . A 25 LEU CB . 30527 1 123 . 1 1 25 25 LEU CG C 13 25.895 0.400 . 1 . . . . A 25 LEU CG . 30527 1 124 . 1 1 25 25 LEU CD1 C 13 24.038 0.400 . 1 . . . . A 25 LEU CD1 . 30527 1 125 . 1 1 25 25 LEU CD2 C 13 25.995 0.400 . 1 . . . . A 25 LEU CD2 . 30527 1 126 . 1 1 25 25 LEU N N 15 120.699 0.400 . 1 . . . . A 25 LEU N . 30527 1 127 . 1 1 26 26 ARG H H 1 8.341 0.020 . 1 . . . . A 26 ARG H . 30527 1 128 . 1 1 26 26 ARG HA H 1 3.566 0.020 . 1 . . . . A 26 ARG HA . 30527 1 129 . 1 1 26 26 ARG HB2 H 1 2.005 0.020 . 2 . . . . A 26 ARG HB2 . 30527 1 130 . 1 1 26 26 ARG HB3 H 1 1.877 0.020 . 2 . . . . A 26 ARG HB3 . 30527 1 131 . 1 1 26 26 ARG HG2 H 1 1.482 0.020 . 2 . . . . A 26 ARG HG2 . 30527 1 132 . 1 1 26 26 ARG HG3 H 1 1.501 0.020 . 2 . . . . A 26 ARG HG3 . 30527 1 133 . 1 1 26 26 ARG HD2 H 1 2.975 0.020 . 2 . . . . A 26 ARG HD2 . 30527 1 134 . 1 1 26 26 ARG HD3 H 1 3.284 0.020 . 2 . . . . A 26 ARG HD3 . 30527 1 135 . 1 1 26 26 ARG CA C 13 60.363 0.400 . 1 . . . . A 26 ARG CA . 30527 1 136 . 1 1 26 26 ARG CB C 13 29.404 0.400 . 1 . . . . A 26 ARG CB . 30527 1 137 . 1 1 26 26 ARG CG C 13 26.346 0.400 . 1 . . . . A 26 ARG CG . 30527 1 138 . 1 1 26 26 ARG CD C 13 42.510 0.400 . 1 . . . . A 26 ARG CD . 30527 1 139 . 1 1 26 26 ARG N N 15 120.008 0.400 . 1 . . . . A 26 ARG N . 30527 1 140 . 1 1 27 27 GLN H H 1 7.802 0.020 . 1 . . . . A 27 GLN H . 30527 1 141 . 1 1 27 27 GLN HA H 1 3.842 0.020 . 1 . . . . A 27 GLN HA . 30527 1 142 . 1 1 27 27 GLN HB2 H 1 2.063 0.020 . 2 . . . . A 27 GLN HB2 . 30527 1 143 . 1 1 27 27 GLN HB3 H 1 2.063 0.020 . 2 . . . . A 27 GLN HB3 . 30527 1 144 . 1 1 27 27 GLN HG2 H 1 2.570 0.020 . 2 . . . . A 27 GLN HG2 . 30527 1 145 . 1 1 27 27 GLN HG3 H 1 2.327 0.020 . 2 . . . . A 27 GLN HG3 . 30527 1 146 . 1 1 27 27 GLN HE21 H 1 6.790 0.020 . 2 . . . . A 27 GLN HE21 . 30527 1 147 . 1 1 27 27 GLN HE22 H 1 7.827 0.020 . 2 . . . . A 27 GLN HE22 . 30527 1 148 . 1 1 27 27 GLN CA C 13 59.102 0.400 . 1 . . . . A 27 GLN CA . 30527 1 149 . 1 1 27 27 GLN CB C 13 28.295 0.400 . 1 . . . . A 27 GLN CB . 30527 1 150 . 1 1 27 27 GLN CG C 13 33.904 0.400 . 1 . . . . A 27 GLN CG . 30527 1 151 . 1 1 27 27 GLN N N 15 116.439 0.400 . 1 . . . . A 27 GLN N . 30527 1 152 . 1 1 27 27 GLN NE2 N 15 111.947 0.400 . 1 . . . . A 27 GLN NE2 . 30527 1 153 . 1 1 28 28 LEU H H 1 7.545 0.020 . 1 . . . . A 28 LEU H . 30527 1 154 . 1 1 28 28 LEU HA H 1 4.094 0.020 . 1 . . . . A 28 LEU HA . 30527 1 155 . 1 1 28 28 LEU HB2 H 1 1.608 0.020 . 2 . . . . A 28 LEU HB2 . 30527 1 156 . 1 1 28 28 LEU HB3 H 1 1.272 0.020 . 2 . . . . A 28 LEU HB3 . 30527 1 157 . 1 1 28 28 LEU HG H 1 0.875 0.020 . 1 . . . . A 28 LEU HG . 30527 1 158 . 1 1 28 28 LEU HD11 H 1 -0.353 0.020 . 2 . . . . A 28 LEU HD11 . 30527 1 159 . 1 1 28 28 LEU HD12 H 1 -0.353 0.020 . 2 . . . . A 28 LEU HD12 . 30527 1 160 . 1 1 28 28 LEU HD13 H 1 -0.353 0.020 . 2 . . . . A 28 LEU HD13 . 30527 1 161 . 1 1 28 28 LEU HD21 H 1 0.372 0.020 . 2 . . . . A 28 LEU HD21 . 30527 1 162 . 1 1 28 28 LEU HD22 H 1 0.372 0.020 . 2 . . . . A 28 LEU HD22 . 30527 1 163 . 1 1 28 28 LEU HD23 H 1 0.372 0.020 . 2 . . . . A 28 LEU HD23 . 30527 1 164 . 1 1 28 28 LEU CA C 13 57.390 0.400 . 1 . . . . A 28 LEU CA . 30527 1 165 . 1 1 28 28 LEU CB C 13 40.918 0.400 . 1 . . . . A 28 LEU CB . 30527 1 166 . 1 1 28 28 LEU CG C 13 26.694 0.400 . 1 . . . . A 28 LEU CG . 30527 1 167 . 1 1 28 28 LEU CD1 C 13 19.808 0.400 . 1 . . . . A 28 LEU CD1 . 30527 1 168 . 1 1 28 28 LEU CD2 C 13 25.962 0.400 . 1 . . . . A 28 LEU CD2 . 30527 1 169 . 1 1 28 28 LEU N N 15 121.096 0.400 . 1 . . . . A 28 LEU N . 30527 1 170 . 1 1 29 29 PHE H H 1 8.865 0.020 . 1 . . . . A 29 PHE H . 30527 1 171 . 1 1 29 29 PHE HA H 1 4.212 0.020 . 1 . . . . A 29 PHE HA . 30527 1 172 . 1 1 29 29 PHE HB2 H 1 3.088 0.020 . 2 . . . . A 29 PHE HB2 . 30527 1 173 . 1 1 29 29 PHE HB3 H 1 3.252 0.020 . 2 . . . . A 29 PHE HB3 . 30527 1 174 . 1 1 29 29 PHE HD2 H 1 6.927 0.020 . 1 . . . . A 29 PHE HD2 . 30527 1 175 . 1 1 29 29 PHE HE1 H 1 6.918 0.020 . 1 . . . . A 29 PHE HE1 . 30527 1 176 . 1 1 29 29 PHE HZ H 1 6.744 0.020 . 1 . . . . A 29 PHE HZ . 30527 1 177 . 1 1 29 29 PHE CA C 13 58.748 0.400 . 1 . . . . A 29 PHE CA . 30527 1 178 . 1 1 29 29 PHE CB C 13 37.009 0.400 . 1 . . . . A 29 PHE CB . 30527 1 179 . 1 1 29 29 PHE CD2 C 13 129.889 0.400 . 1 . . . . A 29 PHE CD2 . 30527 1 180 . 1 1 29 29 PHE CE1 C 13 128.967 0.400 . 1 . . . . A 29 PHE CE1 . 30527 1 181 . 1 1 29 29 PHE CZ C 13 127.997 0.400 . 1 . . . . A 29 PHE CZ . 30527 1 182 . 1 1 29 29 PHE N N 15 117.893 0.400 . 1 . . . . A 29 PHE N . 30527 1 183 . 1 1 30 30 GLU H H 1 8.191 0.020 . 1 . . . . A 30 GLU H . 30527 1 184 . 1 1 30 30 GLU HA H 1 4.024 0.020 . 1 . . . . A 30 GLU HA . 30527 1 185 . 1 1 30 30 GLU HB2 H 1 2.101 0.020 . 2 . . . . A 30 GLU HB2 . 30527 1 186 . 1 1 30 30 GLU HB3 H 1 2.164 0.020 . 2 . . . . A 30 GLU HB3 . 30527 1 187 . 1 1 30 30 GLU HG2 H 1 2.442 0.020 . 2 . . . . A 30 GLU HG2 . 30527 1 188 . 1 1 30 30 GLU HG3 H 1 2.242 0.020 . 2 . . . . A 30 GLU HG3 . 30527 1 189 . 1 1 30 30 GLU CA C 13 60.022 0.400 . 1 . . . . A 30 GLU CA . 30527 1 190 . 1 1 30 30 GLU CB C 13 29.416 0.400 . 1 . . . . A 30 GLU CB . 30527 1 191 . 1 1 30 30 GLU CG C 13 36.564 0.400 . 1 . . . . A 30 GLU CG . 30527 1 192 . 1 1 30 30 GLU N N 15 119.001 0.400 . 1 . . . . A 30 GLU N . 30527 1 193 . 1 1 31 31 GLU H H 1 7.592 0.020 . 1 . . . . A 31 GLU H . 30527 1 194 . 1 1 31 31 GLU HA H 1 4.192 0.020 . 1 . . . . A 31 GLU HA . 30527 1 195 . 1 1 31 31 GLU HB2 H 1 2.199 0.020 . 2 . . . . A 31 GLU HB2 . 30527 1 196 . 1 1 31 31 GLU HB3 H 1 2.148 0.020 . 2 . . . . A 31 GLU HB3 . 30527 1 197 . 1 1 31 31 GLU HG2 H 1 2.414 0.020 . 2 . . . . A 31 GLU HG2 . 30527 1 198 . 1 1 31 31 GLU HG3 H 1 2.200 0.020 . 2 . . . . A 31 GLU HG3 . 30527 1 199 . 1 1 31 31 GLU CA C 13 59.146 0.400 . 1 . . . . A 31 GLU CA . 30527 1 200 . 1 1 31 31 GLU CB C 13 29.418 0.400 . 1 . . . . A 31 GLU CB . 30527 1 201 . 1 1 31 31 GLU CG C 13 36.118 0.400 . 1 . . . . A 31 GLU CG . 30527 1 202 . 1 1 31 31 GLU N N 15 120.612 0.400 . 1 . . . . A 31 GLU N . 30527 1 203 . 1 1 32 32 LEU H H 1 8.599 0.020 . 1 . . . . A 32 LEU H . 30527 1 204 . 1 1 32 32 LEU HA H 1 4.038 0.020 . 1 . . . . A 32 LEU HA . 30527 1 205 . 1 1 32 32 LEU HB2 H 1 1.764 0.020 . 2 . . . . A 32 LEU HB2 . 30527 1 206 . 1 1 32 32 LEU HB3 H 1 1.312 0.020 . 2 . . . . A 32 LEU HB3 . 30527 1 207 . 1 1 32 32 LEU HG H 1 1.654 0.020 . 1 . . . . A 32 LEU HG . 30527 1 208 . 1 1 32 32 LEU HD11 H 1 0.685 0.020 . 2 . . . . A 32 LEU HD11 . 30527 1 209 . 1 1 32 32 LEU HD12 H 1 0.685 0.020 . 2 . . . . A 32 LEU HD12 . 30527 1 210 . 1 1 32 32 LEU HD13 H 1 0.685 0.020 . 2 . . . . A 32 LEU HD13 . 30527 1 211 . 1 1 32 32 LEU HD21 H 1 0.490 0.020 . 2 . . . . A 32 LEU HD21 . 30527 1 212 . 1 1 32 32 LEU HD22 H 1 0.490 0.020 . 2 . . . . A 32 LEU HD22 . 30527 1 213 . 1 1 32 32 LEU HD23 H 1 0.490 0.020 . 2 . . . . A 32 LEU HD23 . 30527 1 214 . 1 1 32 32 LEU CA C 13 56.914 0.400 . 1 . . . . A 32 LEU CA . 30527 1 215 . 1 1 32 32 LEU CB C 13 41.428 0.400 . 1 . . . . A 32 LEU CB . 30527 1 216 . 1 1 32 32 LEU CG C 13 25.682 0.400 . 1 . . . . A 32 LEU CG . 30527 1 217 . 1 1 32 32 LEU CD1 C 13 21.308 0.400 . 1 . . . . A 32 LEU CD1 . 30527 1 218 . 1 1 32 32 LEU CD2 C 13 25.579 0.400 . 1 . . . . A 32 LEU CD2 . 30527 1 219 . 1 1 32 32 LEU N N 15 118.187 0.400 . 1 . . . . A 32 LEU N . 30527 1 220 . 1 1 33 33 HIS H H 1 8.507 0.020 . 1 . . . . A 33 HIS H . 30527 1 221 . 1 1 33 33 HIS HA H 1 4.265 0.020 . 1 . . . . A 33 HIS HA . 30527 1 222 . 1 1 33 33 HIS HB2 H 1 3.275 0.020 . 2 . . . . A 33 HIS HB2 . 30527 1 223 . 1 1 33 33 HIS HB3 H 1 3.308 0.020 . 2 . . . . A 33 HIS HB3 . 30527 1 224 . 1 1 33 33 HIS HD2 H 1 7.033 0.020 . 1 . . . . A 33 HIS HD2 . 30527 1 225 . 1 1 33 33 HIS CA C 13 59.608 0.400 . 1 . . . . A 33 HIS CA . 30527 1 226 . 1 1 33 33 HIS CB C 13 29.234 0.400 . 1 . . . . A 33 HIS CB . 30527 1 227 . 1 1 33 33 HIS CD2 C 13 122.579 0.400 . 1 . . . . A 33 HIS CD2 . 30527 1 228 . 1 1 33 33 HIS N N 15 120.120 0.400 . 1 . . . . A 33 HIS N . 30527 1 229 . 1 1 34 34 GLU H H 1 7.552 0.020 . 1 . . . . A 34 GLU H . 30527 1 230 . 1 1 34 34 GLU HA H 1 3.973 0.020 . 1 . . . . A 34 GLU HA . 30527 1 231 . 1 1 34 34 GLU HB2 H 1 2.099 0.020 . 2 . . . . A 34 GLU HB2 . 30527 1 232 . 1 1 34 34 GLU HB3 H 1 2.154 0.020 . 2 . . . . A 34 GLU HB3 . 30527 1 233 . 1 1 34 34 GLU HG2 H 1 2.318 0.020 . 2 . . . . A 34 GLU HG2 . 30527 1 234 . 1 1 34 34 GLU HG3 H 1 2.322 0.020 . 2 . . . . A 34 GLU HG3 . 30527 1 235 . 1 1 34 34 GLU CA C 13 57.846 0.400 . 1 . . . . A 34 GLU CA . 30527 1 236 . 1 1 34 34 GLU CB C 13 29.189 0.400 . 1 . . . . A 34 GLU CB . 30527 1 237 . 1 1 34 34 GLU CG C 13 36.010 0.400 . 1 . . . . A 34 GLU CG . 30527 1 238 . 1 1 34 34 GLU N N 15 116.659 0.400 . 1 . . . . A 34 GLU N . 30527 1 239 . 1 1 35 35 ARG H H 1 7.658 0.020 . 1 . . . . A 35 ARG H . 30527 1 240 . 1 1 35 35 ARG HA H 1 4.206 0.020 . 1 . . . . A 35 ARG HA . 30527 1 241 . 1 1 35 35 ARG HB2 H 1 2.032 0.020 . 2 . . . . A 35 ARG HB2 . 30527 1 242 . 1 1 35 35 ARG HB3 H 1 2.034 0.020 . 2 . . . . A 35 ARG HB3 . 30527 1 243 . 1 1 35 35 ARG HG2 H 1 1.873 0.020 . 2 . . . . A 35 ARG HG2 . 30527 1 244 . 1 1 35 35 ARG HG3 H 1 1.785 0.020 . 2 . . . . A 35 ARG HG3 . 30527 1 245 . 1 1 35 35 ARG HD2 H 1 3.172 0.020 . 2 . . . . A 35 ARG HD2 . 30527 1 246 . 1 1 35 35 ARG HD3 H 1 3.242 0.020 . 2 . . . . A 35 ARG HD3 . 30527 1 247 . 1 1 35 35 ARG CA C 13 57.714 0.400 . 1 . . . . A 35 ARG CA . 30527 1 248 . 1 1 35 35 ARG CB C 13 31.015 0.400 . 1 . . . . A 35 ARG CB . 30527 1 249 . 1 1 35 35 ARG CG C 13 27.444 0.400 . 1 . . . . A 35 ARG CG . 30527 1 250 . 1 1 35 35 ARG CD C 13 43.841 0.400 . 1 . . . . A 35 ARG CD . 30527 1 251 . 1 1 35 35 ARG N N 15 116.845 0.400 . 1 . . . . A 35 ARG N . 30527 1 252 . 1 1 36 36 GLY H H 1 7.782 0.020 . 1 . . . . A 36 GLY H . 30527 1 253 . 1 1 36 36 GLY HA2 H 1 3.995 0.020 . 2 . . . . A 36 GLY HA2 . 30527 1 254 . 1 1 36 36 GLY HA3 H 1 3.881 0.020 . 2 . . . . A 36 GLY HA3 . 30527 1 255 . 1 1 36 36 GLY CA C 13 46.359 0.400 . 1 . . . . A 36 GLY CA . 30527 1 256 . 1 1 36 36 GLY N N 15 104.955 0.400 . 1 . . . . A 36 GLY N . 30527 1 257 . 1 1 37 37 THR H H 1 7.391 0.020 . 1 . . . . A 37 THR H . 30527 1 258 . 1 1 37 37 THR HA H 1 4.450 0.020 . 1 . . . . A 37 THR HA . 30527 1 259 . 1 1 37 37 THR HB H 1 4.337 0.020 . 1 . . . . A 37 THR HB . 30527 1 260 . 1 1 37 37 THR HG21 H 1 1.213 0.020 . 1 . . . . A 37 THR HG21 . 30527 1 261 . 1 1 37 37 THR HG22 H 1 1.213 0.020 . 1 . . . . A 37 THR HG22 . 30527 1 262 . 1 1 37 37 THR HG23 H 1 1.213 0.020 . 1 . . . . A 37 THR HG23 . 30527 1 263 . 1 1 37 37 THR CA C 13 59.984 0.400 . 1 . . . . A 37 THR CA . 30527 1 264 . 1 1 37 37 THR CB C 13 70.237 0.400 . 1 . . . . A 37 THR CB . 30527 1 265 . 1 1 37 37 THR CG2 C 13 22.503 0.400 . 1 . . . . A 37 THR CG2 . 30527 1 266 . 1 1 37 37 THR N N 15 109.710 0.400 . 1 . . . . A 37 THR N . 30527 1 267 . 1 1 38 38 GLU H H 1 8.483 0.020 . 1 . . . . A 38 GLU H . 30527 1 268 . 1 1 38 38 GLU HA H 1 4.323 0.020 . 1 . . . . A 38 GLU HA . 30527 1 269 . 1 1 38 38 GLU HB2 H 1 2.059 0.020 . 2 . . . . A 38 GLU HB2 . 30527 1 270 . 1 1 38 38 GLU HB3 H 1 2.064 0.020 . 2 . . . . A 38 GLU HB3 . 30527 1 271 . 1 1 38 38 GLU HG2 H 1 2.234 0.020 . 2 . . . . A 38 GLU HG2 . 30527 1 272 . 1 1 38 38 GLU HG3 H 1 2.134 0.020 . 2 . . . . A 38 GLU HG3 . 30527 1 273 . 1 1 38 38 GLU CA C 13 57.212 0.400 . 1 . . . . A 38 GLU CA . 30527 1 274 . 1 1 38 38 GLU CB C 13 30.687 0.400 . 1 . . . . A 38 GLU CB . 30527 1 275 . 1 1 38 38 GLU CG C 13 36.703 0.400 . 1 . . . . A 38 GLU CG . 30527 1 276 . 1 1 38 38 GLU N N 15 121.277 0.400 . 1 . . . . A 38 GLU N . 30527 1 277 . 1 1 39 39 ILE H H 1 8.780 0.020 . 1 . . . . A 39 ILE H . 30527 1 278 . 1 1 39 39 ILE HA H 1 4.696 0.020 . 1 . . . . A 39 ILE HA . 30527 1 279 . 1 1 39 39 ILE HB H 1 1.525 0.020 . 1 . . . . A 39 ILE HB . 30527 1 280 . 1 1 39 39 ILE HG12 H 1 1.840 0.020 . 2 . . . . A 39 ILE HG12 . 30527 1 281 . 1 1 39 39 ILE HG13 H 1 0.764 0.020 . 2 . . . . A 39 ILE HG13 . 30527 1 282 . 1 1 39 39 ILE HG21 H 1 0.673 0.020 . 1 . . . . A 39 ILE HG21 . 30527 1 283 . 1 1 39 39 ILE HG22 H 1 0.673 0.020 . 1 . . . . A 39 ILE HG22 . 30527 1 284 . 1 1 39 39 ILE HG23 H 1 0.673 0.020 . 1 . . . . A 39 ILE HG23 . 30527 1 285 . 1 1 39 39 ILE HD11 H 1 0.576 0.020 . 1 . . . . A 39 ILE HD11 . 30527 1 286 . 1 1 39 39 ILE HD12 H 1 0.576 0.020 . 1 . . . . A 39 ILE HD12 . 30527 1 287 . 1 1 39 39 ILE HD13 H 1 0.576 0.020 . 1 . . . . A 39 ILE HD13 . 30527 1 288 . 1 1 39 39 ILE CA C 13 61.025 0.400 . 1 . . . . A 39 ILE CA . 30527 1 289 . 1 1 39 39 ILE CB C 13 41.594 0.400 . 1 . . . . A 39 ILE CB . 30527 1 290 . 1 1 39 39 ILE CG1 C 13 27.064 0.400 . 1 . . . . A 39 ILE CG1 . 30527 1 291 . 1 1 39 39 ILE CG2 C 13 18.341 0.400 . 1 . . . . A 39 ILE CG2 . 30527 1 292 . 1 1 39 39 ILE CD1 C 13 14.946 0.400 . 1 . . . . A 39 ILE CD1 . 30527 1 293 . 1 1 39 39 ILE N N 15 126.990 0.400 . 1 . . . . A 39 ILE N . 30527 1 294 . 1 1 40 40 VAL H H 1 8.819 0.020 . 1 . . . . A 40 VAL H . 30527 1 295 . 1 1 40 40 VAL HA H 1 4.840 0.020 . 1 . . . . A 40 VAL HA . 30527 1 296 . 1 1 40 40 VAL HB H 1 2.110 0.020 . 1 . . . . A 40 VAL HB . 30527 1 297 . 1 1 40 40 VAL HG11 H 1 0.939 0.020 . 2 . . . . A 40 VAL HG11 . 30527 1 298 . 1 1 40 40 VAL HG12 H 1 0.939 0.020 . 2 . . . . A 40 VAL HG12 . 30527 1 299 . 1 1 40 40 VAL HG13 H 1 0.939 0.020 . 2 . . . . A 40 VAL HG13 . 30527 1 300 . 1 1 40 40 VAL HG21 H 1 0.967 0.020 . 2 . . . . A 40 VAL HG21 . 30527 1 301 . 1 1 40 40 VAL HG22 H 1 0.967 0.020 . 2 . . . . A 40 VAL HG22 . 30527 1 302 . 1 1 40 40 VAL HG23 H 1 0.967 0.020 . 2 . . . . A 40 VAL HG23 . 30527 1 303 . 1 1 40 40 VAL CA C 13 61.443 0.400 . 1 . . . . A 40 VAL CA . 30527 1 304 . 1 1 40 40 VAL CB C 13 34.145 0.400 . 1 . . . . A 40 VAL CB . 30527 1 305 . 1 1 40 40 VAL CG1 C 13 21.379 0.400 . 1 . . . . A 40 VAL CG1 . 30527 1 306 . 1 1 40 40 VAL CG2 C 13 21.367 0.400 . 1 . . . . A 40 VAL CG2 . 30527 1 307 . 1 1 40 40 VAL N N 15 126.760 0.400 . 1 . . . . A 40 VAL N . 30527 1 308 . 1 1 41 41 VAL H H 1 9.521 0.020 . 1 . . . . A 41 VAL H . 30527 1 309 . 1 1 41 41 VAL HA H 1 5.049 0.020 . 1 . . . . A 41 VAL HA . 30527 1 310 . 1 1 41 41 VAL HB H 1 2.099 0.020 . 1 . . . . A 41 VAL HB . 30527 1 311 . 1 1 41 41 VAL HG11 H 1 0.959 0.020 . 2 . . . . A 41 VAL HG11 . 30527 1 312 . 1 1 41 41 VAL HG12 H 1 0.959 0.020 . 2 . . . . A 41 VAL HG12 . 30527 1 313 . 1 1 41 41 VAL HG13 H 1 0.959 0.020 . 2 . . . . A 41 VAL HG13 . 30527 1 314 . 1 1 41 41 VAL HG21 H 1 1.001 0.020 . 2 . . . . A 41 VAL HG21 . 30527 1 315 . 1 1 41 41 VAL HG22 H 1 1.001 0.020 . 2 . . . . A 41 VAL HG22 . 30527 1 316 . 1 1 41 41 VAL HG23 H 1 1.001 0.020 . 2 . . . . A 41 VAL HG23 . 30527 1 317 . 1 1 41 41 VAL CA C 13 60.556 0.400 . 1 . . . . A 41 VAL CA . 30527 1 318 . 1 1 41 41 VAL CB C 13 34.007 0.400 . 1 . . . . A 41 VAL CB . 30527 1 319 . 1 1 41 41 VAL CG1 C 13 21.635 0.400 . 1 . . . . A 41 VAL CG1 . 30527 1 320 . 1 1 41 41 VAL CG2 C 13 22.588 0.400 . 1 . . . . A 41 VAL CG2 . 30527 1 321 . 1 1 41 41 VAL N N 15 127.260 0.400 . 1 . . . . A 41 VAL N . 30527 1 322 . 1 1 42 42 GLU H H 1 9.636 0.020 . 1 . . . . A 42 GLU H . 30527 1 323 . 1 1 42 42 GLU HA H 1 5.327 0.020 . 1 . . . . A 42 GLU HA . 30527 1 324 . 1 1 42 42 GLU HB2 H 1 2.282 0.020 . 2 . . . . A 42 GLU HB2 . 30527 1 325 . 1 1 42 42 GLU HB3 H 1 2.078 0.020 . 2 . . . . A 42 GLU HB3 . 30527 1 326 . 1 1 42 42 GLU HG2 H 1 2.320 0.020 . 2 . . . . A 42 GLU HG2 . 30527 1 327 . 1 1 42 42 GLU HG3 H 1 2.145 0.020 . 2 . . . . A 42 GLU HG3 . 30527 1 328 . 1 1 42 42 GLU CA C 13 54.257 0.400 . 1 . . . . A 42 GLU CA . 30527 1 329 . 1 1 42 42 GLU CB C 13 33.309 0.400 . 1 . . . . A 42 GLU CB . 30527 1 330 . 1 1 42 42 GLU CG C 13 36.881 0.400 . 1 . . . . A 42 GLU CG . 30527 1 331 . 1 1 42 42 GLU N N 15 126.148 0.400 . 1 . . . . A 42 GLU N . 30527 1 332 . 1 1 43 43 VAL H H 1 9.007 0.020 . 1 . . . . A 43 VAL H . 30527 1 333 . 1 1 43 43 VAL HA H 1 4.630 0.020 . 1 . . . . A 43 VAL HA . 30527 1 334 . 1 1 43 43 VAL HB H 1 2.064 0.020 . 1 . . . . A 43 VAL HB . 30527 1 335 . 1 1 43 43 VAL HG11 H 1 0.900 0.020 . 2 . . . . A 43 VAL HG11 . 30527 1 336 . 1 1 43 43 VAL HG12 H 1 0.900 0.020 . 2 . . . . A 43 VAL HG12 . 30527 1 337 . 1 1 43 43 VAL HG13 H 1 0.900 0.020 . 2 . . . . A 43 VAL HG13 . 30527 1 338 . 1 1 43 43 VAL HG21 H 1 0.915 0.020 . 2 . . . . A 43 VAL HG21 . 30527 1 339 . 1 1 43 43 VAL HG22 H 1 0.915 0.020 . 2 . . . . A 43 VAL HG22 . 30527 1 340 . 1 1 43 43 VAL HG23 H 1 0.915 0.020 . 2 . . . . A 43 VAL HG23 . 30527 1 341 . 1 1 43 43 VAL CA C 13 61.606 0.400 . 1 . . . . A 43 VAL CA . 30527 1 342 . 1 1 43 43 VAL CB C 13 33.604 0.400 . 1 . . . . A 43 VAL CB . 30527 1 343 . 1 1 43 43 VAL CG1 C 13 21.596 0.400 . 1 . . . . A 43 VAL CG1 . 30527 1 344 . 1 1 43 43 VAL CG2 C 13 21.488 0.400 . 1 . . . . A 43 VAL CG2 . 30527 1 345 . 1 1 43 43 VAL N N 15 124.390 0.400 . 1 . . . . A 43 VAL N . 30527 1 346 . 1 1 44 44 HIS H H 1 9.438 0.020 . 1 . . . . A 44 HIS H . 30527 1 347 . 1 1 44 44 HIS HA H 1 5.616 0.020 . 1 . . . . A 44 HIS HA . 30527 1 348 . 1 1 44 44 HIS HB2 H 1 3.203 0.020 . 2 . . . . A 44 HIS HB2 . 30527 1 349 . 1 1 44 44 HIS HB3 H 1 3.203 0.020 . 2 . . . . A 44 HIS HB3 . 30527 1 350 . 1 1 44 44 HIS HD2 H 1 6.852 0.020 . 1 . . . . A 44 HIS HD2 . 30527 1 351 . 1 1 44 44 HIS CA C 13 53.996 0.400 . 1 . . . . A 44 HIS CA . 30527 1 352 . 1 1 44 44 HIS CB C 13 31.106 0.400 . 1 . . . . A 44 HIS CB . 30527 1 353 . 1 1 44 44 HIS CD2 C 13 119.609 0.400 . 1 . . . . A 44 HIS CD2 . 30527 1 354 . 1 1 44 44 HIS N N 15 128.106 0.400 . 1 . . . . A 44 HIS N . 30527 1 355 . 1 1 45 45 ILE H H 1 8.381 0.020 . 1 . . . . A 45 ILE H . 30527 1 356 . 1 1 45 45 ILE HA H 1 4.614 0.020 . 1 . . . . A 45 ILE HA . 30527 1 357 . 1 1 45 45 ILE HB H 1 1.791 0.020 . 1 . . . . A 45 ILE HB . 30527 1 358 . 1 1 45 45 ILE HG12 H 1 1.550 0.020 . 2 . . . . A 45 ILE HG12 . 30527 1 359 . 1 1 45 45 ILE HG13 H 1 1.072 0.020 . 2 . . . . A 45 ILE HG13 . 30527 1 360 . 1 1 45 45 ILE HG21 H 1 0.897 0.020 . 1 . . . . A 45 ILE HG21 . 30527 1 361 . 1 1 45 45 ILE HG22 H 1 0.897 0.020 . 1 . . . . A 45 ILE HG22 . 30527 1 362 . 1 1 45 45 ILE HG23 H 1 0.897 0.020 . 1 . . . . A 45 ILE HG23 . 30527 1 363 . 1 1 45 45 ILE HD11 H 1 0.788 0.020 . 1 . . . . A 45 ILE HD11 . 30527 1 364 . 1 1 45 45 ILE HD12 H 1 0.788 0.020 . 1 . . . . A 45 ILE HD12 . 30527 1 365 . 1 1 45 45 ILE HD13 H 1 0.788 0.020 . 1 . . . . A 45 ILE HD13 . 30527 1 366 . 1 1 45 45 ILE CA C 13 60.395 0.400 . 1 . . . . A 45 ILE CA . 30527 1 367 . 1 1 45 45 ILE CB C 13 40.898 0.400 . 1 . . . . A 45 ILE CB . 30527 1 368 . 1 1 45 45 ILE CG1 C 13 27.698 0.400 . 1 . . . . A 45 ILE CG1 . 30527 1 369 . 1 1 45 45 ILE CG2 C 13 17.280 0.400 . 1 . . . . A 45 ILE CG2 . 30527 1 370 . 1 1 45 45 ILE CD1 C 13 14.786 0.400 . 1 . . . . A 45 ILE CD1 . 30527 1 371 . 1 1 45 45 ILE N N 15 123.369 0.400 . 1 . . . . A 45 ILE N . 30527 1 372 . 1 1 46 46 ASN H H 1 9.565 0.020 . 1 . . . . A 46 ASN H . 30527 1 373 . 1 1 46 46 ASN HA H 1 4.465 0.020 . 1 . . . . A 46 ASN HA . 30527 1 374 . 1 1 46 46 ASN HB2 H 1 2.859 0.020 . 2 . . . . A 46 ASN HB2 . 30527 1 375 . 1 1 46 46 ASN HB3 H 1 3.169 0.020 . 2 . . . . A 46 ASN HB3 . 30527 1 376 . 1 1 46 46 ASN HD21 H 1 6.967 0.020 . 2 . . . . A 46 ASN HD21 . 30527 1 377 . 1 1 46 46 ASN HD22 H 1 7.878 0.020 . 2 . . . . A 46 ASN HD22 . 30527 1 378 . 1 1 46 46 ASN CA C 13 54.439 0.400 . 1 . . . . A 46 ASN CA . 30527 1 379 . 1 1 46 46 ASN CB C 13 37.336 0.400 . 1 . . . . A 46 ASN CB . 30527 1 380 . 1 1 46 46 ASN N N 15 126.657 0.400 . 1 . . . . A 46 ASN N . 30527 1 381 . 1 1 46 46 ASN ND2 N 15 112.868 0.400 . 1 . . . . A 46 ASN ND2 . 30527 1 382 . 1 1 47 47 GLY H H 1 8.851 0.020 . 1 . . . . A 47 GLY H . 30527 1 383 . 1 1 47 47 GLY HA2 H 1 4.173 0.020 . 2 . . . . A 47 GLY HA2 . 30527 1 384 . 1 1 47 47 GLY HA3 H 1 3.790 0.020 . 2 . . . . A 47 GLY HA3 . 30527 1 385 . 1 1 47 47 GLY CA C 13 45.617 0.400 . 1 . . . . A 47 GLY CA . 30527 1 386 . 1 1 47 47 GLY N N 15 105.102 0.400 . 1 . . . . A 47 GLY N . 30527 1 387 . 1 1 48 48 GLU H H 1 8.077 0.020 . 1 . . . . A 48 GLU H . 30527 1 388 . 1 1 48 48 GLU HA H 1 4.590 0.020 . 1 . . . . A 48 GLU HA . 30527 1 389 . 1 1 48 48 GLU HB2 H 1 2.105 0.020 . 2 . . . . A 48 GLU HB2 . 30527 1 390 . 1 1 48 48 GLU HB3 H 1 2.090 0.020 . 2 . . . . A 48 GLU HB3 . 30527 1 391 . 1 1 48 48 GLU HG2 H 1 2.196 0.020 . 2 . . . . A 48 GLU HG2 . 30527 1 392 . 1 1 48 48 GLU HG3 H 1 2.325 0.020 . 2 . . . . A 48 GLU HG3 . 30527 1 393 . 1 1 48 48 GLU CA C 13 55.145 0.400 . 1 . . . . A 48 GLU CA . 30527 1 394 . 1 1 48 48 GLU CB C 13 31.366 0.400 . 1 . . . . A 48 GLU CB . 30527 1 395 . 1 1 48 48 GLU CG C 13 36.207 0.400 . 1 . . . . A 48 GLU CG . 30527 1 396 . 1 1 48 48 GLU N N 15 121.523 0.400 . 1 . . . . A 48 GLU N . 30527 1 397 . 1 1 49 49 ARG H H 1 8.708 0.020 . 1 . . . . A 49 ARG H . 30527 1 398 . 1 1 49 49 ARG HA H 1 5.035 0.020 . 1 . . . . A 49 ARG HA . 30527 1 399 . 1 1 49 49 ARG HB2 H 1 1.652 0.020 . 2 . . . . A 49 ARG HB2 . 30527 1 400 . 1 1 49 49 ARG HB3 H 1 1.509 0.020 . 2 . . . . A 49 ARG HB3 . 30527 1 401 . 1 1 49 49 ARG HG2 H 1 1.044 0.020 . 2 . . . . A 49 ARG HG2 . 30527 1 402 . 1 1 49 49 ARG HG3 H 1 1.125 0.020 . 2 . . . . A 49 ARG HG3 . 30527 1 403 . 1 1 49 49 ARG HD2 H 1 3.057 0.020 . 2 . . . . A 49 ARG HD2 . 30527 1 404 . 1 1 49 49 ARG HD3 H 1 3.061 0.020 . 2 . . . . A 49 ARG HD3 . 30527 1 405 . 1 1 49 49 ARG CA C 13 55.049 0.400 . 1 . . . . A 49 ARG CA . 30527 1 406 . 1 1 49 49 ARG CB C 13 32.934 0.400 . 1 . . . . A 49 ARG CB . 30527 1 407 . 1 1 49 49 ARG CG C 13 27.800 0.400 . 1 . . . . A 49 ARG CG . 30527 1 408 . 1 1 49 49 ARG CD C 13 43.313 0.400 . 1 . . . . A 49 ARG CD . 30527 1 409 . 1 1 49 49 ARG N N 15 124.377 0.400 . 1 . . . . A 49 ARG N . 30527 1 410 . 1 1 50 50 ASP H H 1 8.740 0.020 . 1 . . . . A 50 ASP H . 30527 1 411 . 1 1 50 50 ASP HA H 1 4.980 0.020 . 1 . . . . A 50 ASP HA . 30527 1 412 . 1 1 50 50 ASP HB2 H 1 2.530 0.020 . 2 . . . . A 50 ASP HB2 . 30527 1 413 . 1 1 50 50 ASP HB3 H 1 2.530 0.020 . 2 . . . . A 50 ASP HB3 . 30527 1 414 . 1 1 50 50 ASP CA C 13 53.008 0.400 . 1 . . . . A 50 ASP CA . 30527 1 415 . 1 1 50 50 ASP CB C 13 44.224 0.400 . 1 . . . . A 50 ASP CB . 30527 1 416 . 1 1 50 50 ASP N N 15 125.532 0.400 . 1 . . . . A 50 ASP N . 30527 1 417 . 1 1 51 51 GLU H H 1 8.616 0.020 . 1 . . . . A 51 GLU H . 30527 1 418 . 1 1 51 51 GLU HA H 1 5.312 0.020 . 1 . . . . A 51 GLU HA . 30527 1 419 . 1 1 51 51 GLU HB2 H 1 1.905 0.020 . 2 . . . . A 51 GLU HB2 . 30527 1 420 . 1 1 51 51 GLU HB3 H 1 1.980 0.020 . 2 . . . . A 51 GLU HB3 . 30527 1 421 . 1 1 51 51 GLU HG2 H 1 1.920 0.020 . 2 . . . . A 51 GLU HG2 . 30527 1 422 . 1 1 51 51 GLU HG3 H 1 2.072 0.020 . 2 . . . . A 51 GLU HG3 . 30527 1 423 . 1 1 51 51 GLU CA C 13 55.219 0.400 . 1 . . . . A 51 GLU CA . 30527 1 424 . 1 1 51 51 GLU CB C 13 33.027 0.400 . 1 . . . . A 51 GLU CB . 30527 1 425 . 1 1 51 51 GLU CG C 13 37.570 0.400 . 1 . . . . A 51 GLU CG . 30527 1 426 . 1 1 51 51 GLU N N 15 123.950 0.400 . 1 . . . . A 51 GLU N . 30527 1 427 . 1 1 52 52 ILE H H 1 9.460 0.020 . 1 . . . . A 52 ILE H . 30527 1 428 . 1 1 52 52 ILE HA H 1 4.312 0.020 . 1 . . . . A 52 ILE HA . 30527 1 429 . 1 1 52 52 ILE HB H 1 1.579 0.020 . 1 . . . . A 52 ILE HB . 30527 1 430 . 1 1 52 52 ILE HG12 H 1 1.418 0.020 . 2 . . . . A 52 ILE HG12 . 30527 1 431 . 1 1 52 52 ILE HG13 H 1 0.951 0.020 . 2 . . . . A 52 ILE HG13 . 30527 1 432 . 1 1 52 52 ILE HG21 H 1 0.815 0.020 . 1 . . . . A 52 ILE HG21 . 30527 1 433 . 1 1 52 52 ILE HG22 H 1 0.815 0.020 . 1 . . . . A 52 ILE HG22 . 30527 1 434 . 1 1 52 52 ILE HG23 H 1 0.815 0.020 . 1 . . . . A 52 ILE HG23 . 30527 1 435 . 1 1 52 52 ILE HD11 H 1 0.692 0.020 . 1 . . . . A 52 ILE HD11 . 30527 1 436 . 1 1 52 52 ILE HD12 H 1 0.692 0.020 . 1 . . . . A 52 ILE HD12 . 30527 1 437 . 1 1 52 52 ILE HD13 H 1 0.692 0.020 . 1 . . . . A 52 ILE HD13 . 30527 1 438 . 1 1 52 52 ILE CA C 13 60.988 0.400 . 1 . . . . A 52 ILE CA . 30527 1 439 . 1 1 52 52 ILE CB C 13 41.724 0.400 . 1 . . . . A 52 ILE CB . 30527 1 440 . 1 1 52 52 ILE CG1 C 13 27.513 0.400 . 1 . . . . A 52 ILE CG1 . 30527 1 441 . 1 1 52 52 ILE CG2 C 13 18.702 0.400 . 1 . . . . A 52 ILE CG2 . 30527 1 442 . 1 1 52 52 ILE CD1 C 13 14.489 0.400 . 1 . . . . A 52 ILE CD1 . 30527 1 443 . 1 1 52 52 ILE N N 15 127.807 0.400 . 1 . . . . A 52 ILE N . 30527 1 444 . 1 1 53 53 ARG H H 1 8.734 0.020 . 1 . . . . A 53 ARG H . 30527 1 445 . 1 1 53 53 ARG HA H 1 5.240 0.020 . 1 . . . . A 53 ARG HA . 30527 1 446 . 1 1 53 53 ARG HB2 H 1 1.817 0.020 . 2 . . . . A 53 ARG HB2 . 30527 1 447 . 1 1 53 53 ARG HB3 H 1 1.748 0.020 . 2 . . . . A 53 ARG HB3 . 30527 1 448 . 1 1 53 53 ARG HG2 H 1 1.422 0.020 . 2 . . . . A 53 ARG HG2 . 30527 1 449 . 1 1 53 53 ARG HG3 H 1 1.634 0.020 . 2 . . . . A 53 ARG HG3 . 30527 1 450 . 1 1 53 53 ARG HD2 H 1 3.173 0.020 . 2 . . . . A 53 ARG HD2 . 30527 1 451 . 1 1 53 53 ARG HD3 H 1 3.173 0.020 . 2 . . . . A 53 ARG HD3 . 30527 1 452 . 1 1 53 53 ARG CA C 13 55.152 0.400 . 1 . . . . A 53 ARG CA . 30527 1 453 . 1 1 53 53 ARG CB C 13 32.020 0.400 . 1 . . . . A 53 ARG CB . 30527 1 454 . 1 1 53 53 ARG CG C 13 28.200 0.400 . 1 . . . . A 53 ARG CG . 30527 1 455 . 1 1 53 53 ARG CD C 13 43.370 0.400 . 1 . . . . A 53 ARG CD . 30527 1 456 . 1 1 53 53 ARG N N 15 126.494 0.400 . 1 . . . . A 53 ARG N . 30527 1 457 . 1 1 54 54 VAL H H 1 9.031 0.020 . 1 . . . . A 54 VAL H . 30527 1 458 . 1 1 54 54 VAL HA H 1 4.457 0.020 . 1 . . . . A 54 VAL HA . 30527 1 459 . 1 1 54 54 VAL HB H 1 2.044 0.020 . 1 . . . . A 54 VAL HB . 30527 1 460 . 1 1 54 54 VAL HG11 H 1 0.797 0.020 . 2 . . . . A 54 VAL HG11 . 30527 1 461 . 1 1 54 54 VAL HG12 H 1 0.797 0.020 . 2 . . . . A 54 VAL HG12 . 30527 1 462 . 1 1 54 54 VAL HG13 H 1 0.797 0.020 . 2 . . . . A 54 VAL HG13 . 30527 1 463 . 1 1 54 54 VAL HG21 H 1 0.736 0.020 . 2 . . . . A 54 VAL HG21 . 30527 1 464 . 1 1 54 54 VAL HG22 H 1 0.736 0.020 . 2 . . . . A 54 VAL HG22 . 30527 1 465 . 1 1 54 54 VAL HG23 H 1 0.736 0.020 . 2 . . . . A 54 VAL HG23 . 30527 1 466 . 1 1 54 54 VAL CA C 13 60.549 0.400 . 1 . . . . A 54 VAL CA . 30527 1 467 . 1 1 54 54 VAL CB C 13 34.588 0.400 . 1 . . . . A 54 VAL CB . 30527 1 468 . 1 1 54 54 VAL CG1 C 13 22.037 0.400 . 1 . . . . A 54 VAL CG1 . 30527 1 469 . 1 1 54 54 VAL CG2 C 13 20.465 0.400 . 1 . . . . A 54 VAL CG2 . 30527 1 470 . 1 1 54 54 VAL N N 15 121.784 0.400 . 1 . . . . A 54 VAL N . 30527 1 471 . 1 1 55 55 ARG H H 1 8.590 0.020 . 1 . . . . A 55 ARG H . 30527 1 472 . 1 1 55 55 ARG HA H 1 4.344 0.020 . 1 . . . . A 55 ARG HA . 30527 1 473 . 1 1 55 55 ARG HB2 H 1 1.819 0.020 . 2 . . . . A 55 ARG HB2 . 30527 1 474 . 1 1 55 55 ARG HB3 H 1 1.738 0.020 . 2 . . . . A 55 ARG HB3 . 30527 1 475 . 1 1 55 55 ARG HG2 H 1 1.556 0.020 . 2 . . . . A 55 ARG HG2 . 30527 1 476 . 1 1 55 55 ARG HG3 H 1 1.555 0.020 . 2 . . . . A 55 ARG HG3 . 30527 1 477 . 1 1 55 55 ARG HD2 H 1 3.174 0.020 . 2 . . . . A 55 ARG HD2 . 30527 1 478 . 1 1 55 55 ARG HD3 H 1 3.174 0.020 . 2 . . . . A 55 ARG HD3 . 30527 1 479 . 1 1 55 55 ARG CA C 13 56.665 0.400 . 1 . . . . A 55 ARG CA . 30527 1 480 . 1 1 55 55 ARG CB C 13 31.759 0.400 . 1 . . . . A 55 ARG CB . 30527 1 481 . 1 1 55 55 ARG CG C 13 27.428 0.400 . 1 . . . . A 55 ARG CG . 30527 1 482 . 1 1 55 55 ARG CD C 13 43.570 0.400 . 1 . . . . A 55 ARG CD . 30527 1 483 . 1 1 55 55 ARG N N 15 123.588 0.400 . 1 . . . . A 55 ARG N . 30527 1 484 . 1 1 56 56 ASN H H 1 8.515 0.020 . 1 . . . . A 56 ASN H . 30527 1 485 . 1 1 56 56 ASN HA H 1 4.510 0.020 . 1 . . . . A 56 ASN HA . 30527 1 486 . 1 1 56 56 ASN HB2 H 1 3.012 0.020 . 2 . . . . A 56 ASN HB2 . 30527 1 487 . 1 1 56 56 ASN HB3 H 1 2.558 0.020 . 2 . . . . A 56 ASN HB3 . 30527 1 488 . 1 1 56 56 ASN HD21 H 1 6.726 0.020 . 2 . . . . A 56 ASN HD21 . 30527 1 489 . 1 1 56 56 ASN HD22 H 1 7.718 0.020 . 2 . . . . A 56 ASN HD22 . 30527 1 490 . 1 1 56 56 ASN CA C 13 52.994 0.400 . 1 . . . . A 56 ASN CA . 30527 1 491 . 1 1 56 56 ASN CB C 13 37.633 0.400 . 1 . . . . A 56 ASN CB . 30527 1 492 . 1 1 56 56 ASN N N 15 119.175 0.400 . 1 . . . . A 56 ASN N . 30527 1 493 . 1 1 56 56 ASN ND2 N 15 111.118 0.400 . 1 . . . . A 56 ASN ND2 . 30527 1 494 . 1 1 57 57 ILE H H 1 8.312 0.020 . 1 . . . . A 57 ILE H . 30527 1 495 . 1 1 57 57 ILE HA H 1 4.188 0.020 . 1 . . . . A 57 ILE HA . 30527 1 496 . 1 1 57 57 ILE HB H 1 1.873 0.020 . 1 . . . . A 57 ILE HB . 30527 1 497 . 1 1 57 57 ILE HG12 H 1 1.379 0.020 . 2 . . . . A 57 ILE HG12 . 30527 1 498 . 1 1 57 57 ILE HG13 H 1 1.145 0.020 . 2 . . . . A 57 ILE HG13 . 30527 1 499 . 1 1 57 57 ILE HG21 H 1 0.805 0.020 . 1 . . . . A 57 ILE HG21 . 30527 1 500 . 1 1 57 57 ILE HG22 H 1 0.805 0.020 . 1 . . . . A 57 ILE HG22 . 30527 1 501 . 1 1 57 57 ILE HG23 H 1 0.805 0.020 . 1 . . . . A 57 ILE HG23 . 30527 1 502 . 1 1 57 57 ILE HD11 H 1 0.646 0.020 . 1 . . . . A 57 ILE HD11 . 30527 1 503 . 1 1 57 57 ILE HD12 H 1 0.646 0.020 . 1 . . . . A 57 ILE HD12 . 30527 1 504 . 1 1 57 57 ILE HD13 H 1 0.646 0.020 . 1 . . . . A 57 ILE HD13 . 30527 1 505 . 1 1 57 57 ILE CA C 13 60.829 0.400 . 1 . . . . A 57 ILE CA . 30527 1 506 . 1 1 57 57 ILE CB C 13 38.602 0.400 . 1 . . . . A 57 ILE CB . 30527 1 507 . 1 1 57 57 ILE CG1 C 13 27.102 0.400 . 1 . . . . A 57 ILE CG1 . 30527 1 508 . 1 1 57 57 ILE CG2 C 13 18.217 0.400 . 1 . . . . A 57 ILE CG2 . 30527 1 509 . 1 1 57 57 ILE CD1 C 13 13.513 0.400 . 1 . . . . A 57 ILE CD1 . 30527 1 510 . 1 1 57 57 ILE N N 15 117.675 0.400 . 1 . . . . A 57 ILE N . 30527 1 511 . 1 1 58 58 SER H H 1 8.020 0.020 . 1 . . . . A 58 SER H . 30527 1 512 . 1 1 58 58 SER HA H 1 4.717 0.020 . 1 . . . . A 58 SER HA . 30527 1 513 . 1 1 58 58 SER HB2 H 1 4.025 0.020 . 2 . . . . A 58 SER HB2 . 30527 1 514 . 1 1 58 58 SER HB3 H 1 4.344 0.020 . 2 . . . . A 58 SER HB3 . 30527 1 515 . 1 1 58 58 SER CA C 13 56.682 0.400 . 1 . . . . A 58 SER CA . 30527 1 516 . 1 1 58 58 SER CB C 13 65.715 0.400 . 1 . . . . A 58 SER CB . 30527 1 517 . 1 1 58 58 SER N N 15 118.240 0.400 . 1 . . . . A 58 SER N . 30527 1 518 . 1 1 59 59 LYS H H 1 9.002 0.020 . 1 . . . . A 59 LYS H . 30527 1 519 . 1 1 59 59 LYS HA H 1 3.735 0.020 . 1 . . . . A 59 LYS HA . 30527 1 520 . 1 1 59 59 LYS HB2 H 1 1.743 0.020 . 2 . . . . A 59 LYS HB2 . 30527 1 521 . 1 1 59 59 LYS HB3 H 1 1.738 0.020 . 2 . . . . A 59 LYS HB3 . 30527 1 522 . 1 1 59 59 LYS HG2 H 1 1.173 0.020 . 2 . . . . A 59 LYS HG2 . 30527 1 523 . 1 1 59 59 LYS HG3 H 1 1.313 0.020 . 2 . . . . A 59 LYS HG3 . 30527 1 524 . 1 1 59 59 LYS HD2 H 1 1.583 0.020 . 2 . . . . A 59 LYS HD2 . 30527 1 525 . 1 1 59 59 LYS HD3 H 1 1.579 0.020 . 2 . . . . A 59 LYS HD3 . 30527 1 526 . 1 1 59 59 LYS HE2 H 1 2.870 0.020 . 2 . . . . A 59 LYS HE2 . 30527 1 527 . 1 1 59 59 LYS HE3 H 1 2.870 0.020 . 2 . . . . A 59 LYS HE3 . 30527 1 528 . 1 1 59 59 LYS CA C 13 59.915 0.400 . 1 . . . . A 59 LYS CA . 30527 1 529 . 1 1 59 59 LYS CB C 13 31.643 0.400 . 1 . . . . A 59 LYS CB . 30527 1 530 . 1 1 59 59 LYS CG C 13 25.361 0.400 . 1 . . . . A 59 LYS CG . 30527 1 531 . 1 1 59 59 LYS CD C 13 28.889 0.400 . 1 . . . . A 59 LYS CD . 30527 1 532 . 1 1 59 59 LYS CE C 13 41.933 0.400 . 1 . . . . A 59 LYS CE . 30527 1 533 . 1 1 59 59 LYS N N 15 121.444 0.400 . 1 . . . . A 59 LYS N . 30527 1 534 . 1 1 60 60 GLU H H 1 8.718 0.020 . 1 . . . . A 60 GLU H . 30527 1 535 . 1 1 60 60 GLU HA H 1 4.023 0.020 . 1 . . . . A 60 GLU HA . 30527 1 536 . 1 1 60 60 GLU HB2 H 1 1.931 0.020 . 2 . . . . A 60 GLU HB2 . 30527 1 537 . 1 1 60 60 GLU HB3 H 1 2.069 0.020 . 2 . . . . A 60 GLU HB3 . 30527 1 538 . 1 1 60 60 GLU HG2 H 1 2.262 0.020 . 2 . . . . A 60 GLU HG2 . 30527 1 539 . 1 1 60 60 GLU HG3 H 1 2.353 0.020 . 2 . . . . A 60 GLU HG3 . 30527 1 540 . 1 1 60 60 GLU CA C 13 59.669 0.400 . 1 . . . . A 60 GLU CA . 30527 1 541 . 1 1 60 60 GLU CB C 13 28.998 0.400 . 1 . . . . A 60 GLU CB . 30527 1 542 . 1 1 60 60 GLU CG C 13 36.420 0.400 . 1 . . . . A 60 GLU CG . 30527 1 543 . 1 1 60 60 GLU N N 15 119.626 0.400 . 1 . . . . A 60 GLU N . 30527 1 544 . 1 1 61 61 GLU H H 1 7.828 0.020 . 1 . . . . A 61 GLU H . 30527 1 545 . 1 1 61 61 GLU HA H 1 4.028 0.020 . 1 . . . . A 61 GLU HA . 30527 1 546 . 1 1 61 61 GLU HB2 H 1 2.040 0.020 . 2 . . . . A 61 GLU HB2 . 30527 1 547 . 1 1 61 61 GLU HB3 H 1 2.040 0.020 . 2 . . . . A 61 GLU HB3 . 30527 1 548 . 1 1 61 61 GLU HG2 H 1 2.301 0.020 . 2 . . . . A 61 GLU HG2 . 30527 1 549 . 1 1 61 61 GLU HG3 H 1 2.310 0.020 . 2 . . . . A 61 GLU HG3 . 30527 1 550 . 1 1 61 61 GLU CA C 13 59.158 0.400 . 1 . . . . A 61 GLU CA . 30527 1 551 . 1 1 61 61 GLU CB C 13 29.772 0.400 . 1 . . . . A 61 GLU CB . 30527 1 552 . 1 1 61 61 GLU CG C 13 36.020 0.400 . 1 . . . . A 61 GLU CG . 30527 1 553 . 1 1 61 61 GLU N N 15 119.886 0.400 . 1 . . . . A 61 GLU N . 30527 1 554 . 1 1 62 62 LEU H H 1 8.109 0.020 . 1 . . . . A 62 LEU H . 30527 1 555 . 1 1 62 62 LEU HA H 1 3.889 0.020 . 1 . . . . A 62 LEU HA . 30527 1 556 . 1 1 62 62 LEU HB2 H 1 1.652 0.020 . 2 . . . . A 62 LEU HB2 . 30527 1 557 . 1 1 62 62 LEU HB3 H 1 1.546 0.020 . 2 . . . . A 62 LEU HB3 . 30527 1 558 . 1 1 62 62 LEU HG H 1 1.613 0.020 . 1 . . . . A 62 LEU HG . 30527 1 559 . 1 1 62 62 LEU HD11 H 1 0.675 0.020 . 2 . . . . A 62 LEU HD11 . 30527 1 560 . 1 1 62 62 LEU HD12 H 1 0.675 0.020 . 2 . . . . A 62 LEU HD12 . 30527 1 561 . 1 1 62 62 LEU HD13 H 1 0.675 0.020 . 2 . . . . A 62 LEU HD13 . 30527 1 562 . 1 1 62 62 LEU HD21 H 1 0.558 0.020 . 2 . . . . A 62 LEU HD21 . 30527 1 563 . 1 1 62 62 LEU HD22 H 1 0.558 0.020 . 2 . . . . A 62 LEU HD22 . 30527 1 564 . 1 1 62 62 LEU HD23 H 1 0.558 0.020 . 2 . . . . A 62 LEU HD23 . 30527 1 565 . 1 1 62 62 LEU CA C 13 57.777 0.400 . 1 . . . . A 62 LEU CA . 30527 1 566 . 1 1 62 62 LEU CB C 13 40.932 0.400 . 1 . . . . A 62 LEU CB . 30527 1 567 . 1 1 62 62 LEU CG C 13 26.834 0.400 . 1 . . . . A 62 LEU CG . 30527 1 568 . 1 1 62 62 LEU CD1 C 13 25.095 0.400 . 1 . . . . A 62 LEU CD1 . 30527 1 569 . 1 1 62 62 LEU CD2 C 13 23.750 0.400 . 1 . . . . A 62 LEU CD2 . 30527 1 570 . 1 1 62 62 LEU N N 15 121.410 0.400 . 1 . . . . A 62 LEU N . 30527 1 571 . 1 1 63 63 LYS H H 1 7.683 0.020 . 1 . . . . A 63 LYS H . 30527 1 572 . 1 1 63 63 LYS HA H 1 3.989 0.020 . 1 . . . . A 63 LYS HA . 30527 1 573 . 1 1 63 63 LYS HB2 H 1 1.939 0.020 . 2 . . . . A 63 LYS HB2 . 30527 1 574 . 1 1 63 63 LYS HB3 H 1 1.874 0.020 . 2 . . . . A 63 LYS HB3 . 30527 1 575 . 1 1 63 63 LYS HG2 H 1 1.528 0.020 . 2 . . . . A 63 LYS HG2 . 30527 1 576 . 1 1 63 63 LYS HG3 H 1 1.360 0.020 . 2 . . . . A 63 LYS HG3 . 30527 1 577 . 1 1 63 63 LYS HD2 H 1 1.652 0.020 . 2 . . . . A 63 LYS HD2 . 30527 1 578 . 1 1 63 63 LYS HD3 H 1 1.653 0.020 . 2 . . . . A 63 LYS HD3 . 30527 1 579 . 1 1 63 63 LYS HE2 H 1 2.932 0.020 . 2 . . . . A 63 LYS HE2 . 30527 1 580 . 1 1 63 63 LYS HE3 H 1 2.932 0.020 . 2 . . . . A 63 LYS HE3 . 30527 1 581 . 1 1 63 63 LYS CA C 13 59.706 0.400 . 1 . . . . A 63 LYS CA . 30527 1 582 . 1 1 63 63 LYS CB C 13 32.239 0.400 . 1 . . . . A 63 LYS CB . 30527 1 583 . 1 1 63 63 LYS CG C 13 24.925 0.400 . 1 . . . . A 63 LYS CG . 30527 1 584 . 1 1 63 63 LYS CD C 13 29.267 0.400 . 1 . . . . A 63 LYS CD . 30527 1 585 . 1 1 63 63 LYS CE C 13 42.175 0.400 . 1 . . . . A 63 LYS CE . 30527 1 586 . 1 1 63 63 LYS N N 15 120.193 0.400 . 1 . . . . A 63 LYS N . 30527 1 587 . 1 1 64 64 LYS H H 1 7.554 0.020 . 1 . . . . A 64 LYS H . 30527 1 588 . 1 1 64 64 LYS HA H 1 4.032 0.020 . 1 . . . . A 64 LYS HA . 30527 1 589 . 1 1 64 64 LYS HB2 H 1 1.858 0.020 . 2 . . . . A 64 LYS HB2 . 30527 1 590 . 1 1 64 64 LYS HB3 H 1 1.857 0.020 . 2 . . . . A 64 LYS HB3 . 30527 1 591 . 1 1 64 64 LYS HG2 H 1 1.580 0.020 . 2 . . . . A 64 LYS HG2 . 30527 1 592 . 1 1 64 64 LYS HG3 H 1 1.454 0.020 . 2 . . . . A 64 LYS HG3 . 30527 1 593 . 1 1 64 64 LYS HD2 H 1 1.655 0.020 . 2 . . . . A 64 LYS HD2 . 30527 1 594 . 1 1 64 64 LYS HD3 H 1 1.655 0.020 . 2 . . . . A 64 LYS HD3 . 30527 1 595 . 1 1 64 64 LYS HE2 H 1 2.932 0.020 . 2 . . . . A 64 LYS HE2 . 30527 1 596 . 1 1 64 64 LYS HE3 H 1 2.932 0.020 . 2 . . . . A 64 LYS HE3 . 30527 1 597 . 1 1 64 64 LYS CA C 13 58.972 0.400 . 1 . . . . A 64 LYS CA . 30527 1 598 . 1 1 64 64 LYS CB C 13 32.028 0.400 . 1 . . . . A 64 LYS CB . 30527 1 599 . 1 1 64 64 LYS CG C 13 25.171 0.400 . 1 . . . . A 64 LYS CG . 30527 1 600 . 1 1 64 64 LYS CD C 13 29.047 0.400 . 1 . . . . A 64 LYS CD . 30527 1 601 . 1 1 64 64 LYS CE C 13 42.092 0.400 . 1 . . . . A 64 LYS CE . 30527 1 602 . 1 1 64 64 LYS N N 15 118.283 0.400 . 1 . . . . A 64 LYS N . 30527 1 603 . 1 1 65 65 LEU H H 1 7.999 0.020 . 1 . . . . A 65 LEU H . 30527 1 604 . 1 1 65 65 LEU HA H 1 4.066 0.020 . 1 . . . . A 65 LEU HA . 30527 1 605 . 1 1 65 65 LEU HB2 H 1 1.958 0.020 . 2 . . . . A 65 LEU HB2 . 30527 1 606 . 1 1 65 65 LEU HB3 H 1 1.515 0.020 . 2 . . . . A 65 LEU HB3 . 30527 1 607 . 1 1 65 65 LEU HG H 1 1.424 0.020 . 1 . . . . A 65 LEU HG . 30527 1 608 . 1 1 65 65 LEU HD11 H 1 0.803 0.020 . 2 . . . . A 65 LEU HD11 . 30527 1 609 . 1 1 65 65 LEU HD12 H 1 0.803 0.020 . 2 . . . . A 65 LEU HD12 . 30527 1 610 . 1 1 65 65 LEU HD13 H 1 0.803 0.020 . 2 . . . . A 65 LEU HD13 . 30527 1 611 . 1 1 65 65 LEU HD21 H 1 0.374 0.020 . 2 . . . . A 65 LEU HD21 . 30527 1 612 . 1 1 65 65 LEU HD22 H 1 0.374 0.020 . 2 . . . . A 65 LEU HD22 . 30527 1 613 . 1 1 65 65 LEU HD23 H 1 0.374 0.020 . 2 . . . . A 65 LEU HD23 . 30527 1 614 . 1 1 65 65 LEU CA C 13 58.011 0.400 . 1 . . . . A 65 LEU CA . 30527 1 615 . 1 1 65 65 LEU CB C 13 41.577 0.400 . 1 . . . . A 65 LEU CB . 30527 1 616 . 1 1 65 65 LEU CG C 13 27.133 0.400 . 1 . . . . A 65 LEU CG . 30527 1 617 . 1 1 65 65 LEU CD1 C 13 23.591 0.400 . 1 . . . . A 65 LEU CD1 . 30527 1 618 . 1 1 65 65 LEU CD2 C 13 25.844 0.400 . 1 . . . . A 65 LEU CD2 . 30527 1 619 . 1 1 65 65 LEU N N 15 122.229 0.400 . 1 . . . . A 65 LEU N . 30527 1 620 . 1 1 66 66 LEU H H 1 7.973 0.020 . 1 . . . . A 66 LEU H . 30527 1 621 . 1 1 66 66 LEU HA H 1 3.897 0.020 . 1 . . . . A 66 LEU HA . 30527 1 622 . 1 1 66 66 LEU HB2 H 1 1.892 0.020 . 2 . . . . A 66 LEU HB2 . 30527 1 623 . 1 1 66 66 LEU HB3 H 1 1.661 0.020 . 2 . . . . A 66 LEU HB3 . 30527 1 624 . 1 1 66 66 LEU HG H 1 1.768 0.020 . 1 . . . . A 66 LEU HG . 30527 1 625 . 1 1 66 66 LEU HD11 H 1 0.743 0.020 . 2 . . . . A 66 LEU HD11 . 30527 1 626 . 1 1 66 66 LEU HD12 H 1 0.743 0.020 . 2 . . . . A 66 LEU HD12 . 30527 1 627 . 1 1 66 66 LEU HD13 H 1 0.743 0.020 . 2 . . . . A 66 LEU HD13 . 30527 1 628 . 1 1 66 66 LEU HD21 H 1 0.858 0.020 . 2 . . . . A 66 LEU HD21 . 30527 1 629 . 1 1 66 66 LEU HD22 H 1 0.858 0.020 . 2 . . . . A 66 LEU HD22 . 30527 1 630 . 1 1 66 66 LEU HD23 H 1 0.858 0.020 . 2 . . . . A 66 LEU HD23 . 30527 1 631 . 1 1 66 66 LEU CA C 13 58.211 0.400 . 1 . . . . A 66 LEU CA . 30527 1 632 . 1 1 66 66 LEU CB C 13 41.364 0.400 . 1 . . . . A 66 LEU CB . 30527 1 633 . 1 1 66 66 LEU CG C 13 27.050 0.400 . 1 . . . . A 66 LEU CG . 30527 1 634 . 1 1 66 66 LEU CD1 C 13 24.967 0.400 . 1 . . . . A 66 LEU CD1 . 30527 1 635 . 1 1 66 66 LEU CD2 C 13 25.557 0.400 . 1 . . . . A 66 LEU CD2 . 30527 1 636 . 1 1 66 66 LEU N N 15 118.651 0.400 . 1 . . . . A 66 LEU N . 30527 1 637 . 1 1 67 67 GLU H H 1 7.852 0.020 . 1 . . . . A 67 GLU H . 30527 1 638 . 1 1 67 67 GLU HA H 1 4.026 0.020 . 1 . . . . A 67 GLU HA . 30527 1 639 . 1 1 67 67 GLU HB2 H 1 2.059 0.020 . 2 . . . . A 67 GLU HB2 . 30527 1 640 . 1 1 67 67 GLU HB3 H 1 2.155 0.020 . 2 . . . . A 67 GLU HB3 . 30527 1 641 . 1 1 67 67 GLU HG2 H 1 2.289 0.020 . 2 . . . . A 67 GLU HG2 . 30527 1 642 . 1 1 67 67 GLU HG3 H 1 2.416 0.020 . 2 . . . . A 67 GLU HG3 . 30527 1 643 . 1 1 67 67 GLU CA C 13 58.945 0.400 . 1 . . . . A 67 GLU CA . 30527 1 644 . 1 1 67 67 GLU CB C 13 29.191 0.400 . 1 . . . . A 67 GLU CB . 30527 1 645 . 1 1 67 67 GLU CG C 13 35.980 0.400 . 1 . . . . A 67 GLU CG . 30527 1 646 . 1 1 67 67 GLU N N 15 118.105 0.400 . 1 . . . . A 67 GLU N . 30527 1 647 . 1 1 68 68 ARG H H 1 8.120 0.020 . 1 . . . . A 68 ARG H . 30527 1 648 . 1 1 68 68 ARG HA H 1 4.150 0.020 . 1 . . . . A 68 ARG HA . 30527 1 649 . 1 1 68 68 ARG HB2 H 1 2.022 0.020 . 2 . . . . A 68 ARG HB2 . 30527 1 650 . 1 1 68 68 ARG HB3 H 1 2.021 0.020 . 2 . . . . A 68 ARG HB3 . 30527 1 651 . 1 1 68 68 ARG HG2 H 1 1.615 0.020 . 2 . . . . A 68 ARG HG2 . 30527 1 652 . 1 1 68 68 ARG HG3 H 1 1.850 0.020 . 2 . . . . A 68 ARG HG3 . 30527 1 653 . 1 1 68 68 ARG HD2 H 1 3.070 0.020 . 2 . . . . A 68 ARG HD2 . 30527 1 654 . 1 1 68 68 ARG HD3 H 1 3.210 0.020 . 2 . . . . A 68 ARG HD3 . 30527 1 655 . 1 1 68 68 ARG CA C 13 59.156 0.400 . 1 . . . . A 68 ARG CA . 30527 1 656 . 1 1 68 68 ARG CB C 13 29.938 0.400 . 1 . . . . A 68 ARG CB . 30527 1 657 . 1 1 68 68 ARG CG C 13 27.116 0.400 . 1 . . . . A 68 ARG CG . 30527 1 658 . 1 1 68 68 ARG CD C 13 43.714 0.400 . 1 . . . . A 68 ARG CD . 30527 1 659 . 1 1 68 68 ARG N N 15 120.634 0.400 . 1 . . . . A 68 ARG N . 30527 1 660 . 1 1 69 69 ILE H H 1 8.105 0.020 . 1 . . . . A 69 ILE H . 30527 1 661 . 1 1 69 69 ILE HA H 1 3.482 0.020 . 1 . . . . A 69 ILE HA . 30527 1 662 . 1 1 69 69 ILE HB H 1 1.860 0.020 . 1 . . . . A 69 ILE HB . 30527 1 663 . 1 1 69 69 ILE HG12 H 1 1.944 0.020 . 2 . . . . A 69 ILE HG12 . 30527 1 664 . 1 1 69 69 ILE HG13 H 1 0.769 0.020 . 2 . . . . A 69 ILE HG13 . 30527 1 665 . 1 1 69 69 ILE HG21 H 1 0.699 0.020 . 1 . . . . A 69 ILE HG21 . 30527 1 666 . 1 1 69 69 ILE HG22 H 1 0.699 0.020 . 1 . . . . A 69 ILE HG22 . 30527 1 667 . 1 1 69 69 ILE HG23 H 1 0.699 0.020 . 1 . . . . A 69 ILE HG23 . 30527 1 668 . 1 1 69 69 ILE HD11 H 1 0.810 0.020 . 1 . . . . A 69 ILE HD11 . 30527 1 669 . 1 1 69 69 ILE HD12 H 1 0.810 0.020 . 1 . . . . A 69 ILE HD12 . 30527 1 670 . 1 1 69 69 ILE HD13 H 1 0.810 0.020 . 1 . . . . A 69 ILE HD13 . 30527 1 671 . 1 1 69 69 ILE CA C 13 66.000 0.400 . 1 . . . . A 69 ILE CA . 30527 1 672 . 1 1 69 69 ILE CB C 13 37.868 0.400 . 1 . . . . A 69 ILE CB . 30527 1 673 . 1 1 69 69 ILE CG1 C 13 28.966 0.400 . 1 . . . . A 69 ILE CG1 . 30527 1 674 . 1 1 69 69 ILE CG2 C 13 16.965 0.400 . 1 . . . . A 69 ILE CG2 . 30527 1 675 . 1 1 69 69 ILE CD1 C 13 14.371 0.400 . 1 . . . . A 69 ILE CD1 . 30527 1 676 . 1 1 69 69 ILE N N 15 120.152 0.400 . 1 . . . . A 69 ILE N . 30527 1 677 . 1 1 70 70 ARG H H 1 8.489 0.020 . 1 . . . . A 70 ARG H . 30527 1 678 . 1 1 70 70 ARG HA H 1 3.593 0.020 . 1 . . . . A 70 ARG HA . 30527 1 679 . 1 1 70 70 ARG HB2 H 1 1.841 0.020 . 2 . . . . A 70 ARG HB2 . 30527 1 680 . 1 1 70 70 ARG HB3 H 1 1.953 0.020 . 2 . . . . A 70 ARG HB3 . 30527 1 681 . 1 1 70 70 ARG HG2 H 1 1.401 0.020 . 2 . . . . A 70 ARG HG2 . 30527 1 682 . 1 1 70 70 ARG HG3 H 1 1.446 0.020 . 2 . . . . A 70 ARG HG3 . 30527 1 683 . 1 1 70 70 ARG HD2 H 1 3.111 0.020 . 2 . . . . A 70 ARG HD2 . 30527 1 684 . 1 1 70 70 ARG HD3 H 1 3.192 0.020 . 2 . . . . A 70 ARG HD3 . 30527 1 685 . 1 1 70 70 ARG CA C 13 60.613 0.400 . 1 . . . . A 70 ARG CA . 30527 1 686 . 1 1 70 70 ARG CB C 13 29.768 0.400 . 1 . . . . A 70 ARG CB . 30527 1 687 . 1 1 70 70 ARG CG C 13 27.303 0.400 . 1 . . . . A 70 ARG CG . 30527 1 688 . 1 1 70 70 ARG CD C 13 43.227 0.400 . 1 . . . . A 70 ARG CD . 30527 1 689 . 1 1 70 70 ARG N N 15 119.945 0.400 . 1 . . . . A 70 ARG N . 30527 1 690 . 1 1 71 71 GLU H H 1 8.184 0.020 . 1 . . . . A 71 GLU H . 30527 1 691 . 1 1 71 71 GLU HA H 1 3.961 0.020 . 1 . . . . A 71 GLU HA . 30527 1 692 . 1 1 71 71 GLU HB2 H 1 2.128 0.020 . 2 . . . . A 71 GLU HB2 . 30527 1 693 . 1 1 71 71 GLU HB3 H 1 2.023 0.020 . 2 . . . . A 71 GLU HB3 . 30527 1 694 . 1 1 71 71 GLU HG2 H 1 2.263 0.020 . 2 . . . . A 71 GLU HG2 . 30527 1 695 . 1 1 71 71 GLU HG3 H 1 2.432 0.020 . 2 . . . . A 71 GLU HG3 . 30527 1 696 . 1 1 71 71 GLU CA C 13 59.259 0.400 . 1 . . . . A 71 GLU CA . 30527 1 697 . 1 1 71 71 GLU CB C 13 29.393 0.400 . 1 . . . . A 71 GLU CB . 30527 1 698 . 1 1 71 71 GLU CG C 13 36.029 0.400 . 1 . . . . A 71 GLU CG . 30527 1 699 . 1 1 71 71 GLU N N 15 116.570 0.400 . 1 . . . . A 71 GLU N . 30527 1 700 . 1 1 72 72 LYS H H 1 7.491 0.020 . 1 . . . . A 72 LYS H . 30527 1 701 . 1 1 72 72 LYS HA H 1 4.028 0.020 . 1 . . . . A 72 LYS HA . 30527 1 702 . 1 1 72 72 LYS HB2 H 1 1.962 0.020 . 2 . . . . A 72 LYS HB2 . 30527 1 703 . 1 1 72 72 LYS HB3 H 1 1.878 0.020 . 2 . . . . A 72 LYS HB3 . 30527 1 704 . 1 1 72 72 LYS HG2 H 1 1.472 0.020 . 2 . . . . A 72 LYS HG2 . 30527 1 705 . 1 1 72 72 LYS HG3 H 1 1.555 0.020 . 2 . . . . A 72 LYS HG3 . 30527 1 706 . 1 1 72 72 LYS HD2 H 1 1.647 0.020 . 2 . . . . A 72 LYS HD2 . 30527 1 707 . 1 1 72 72 LYS HD3 H 1 1.644 0.020 . 2 . . . . A 72 LYS HD3 . 30527 1 708 . 1 1 72 72 LYS HE2 H 1 2.921 0.020 . 2 . . . . A 72 LYS HE2 . 30527 1 709 . 1 1 72 72 LYS HE3 H 1 2.921 0.020 . 2 . . . . A 72 LYS HE3 . 30527 1 710 . 1 1 72 72 LYS CA C 13 58.886 0.400 . 1 . . . . A 72 LYS CA . 30527 1 711 . 1 1 72 72 LYS CB C 13 32.582 0.400 . 1 . . . . A 72 LYS CB . 30527 1 712 . 1 1 72 72 LYS CG C 13 25.072 0.400 . 1 . . . . A 72 LYS CG . 30527 1 713 . 1 1 72 72 LYS CD C 13 29.085 0.400 . 1 . . . . A 72 LYS CD . 30527 1 714 . 1 1 72 72 LYS CE C 13 41.965 0.400 . 1 . . . . A 72 LYS CE . 30527 1 715 . 1 1 72 72 LYS N N 15 117.586 0.400 . 1 . . . . A 72 LYS N . 30527 1 716 . 1 1 73 73 ILE H H 1 7.941 0.020 . 1 . . . . A 73 ILE H . 30527 1 717 . 1 1 73 73 ILE HA H 1 3.758 0.020 . 1 . . . . A 73 ILE HA . 30527 1 718 . 1 1 73 73 ILE HB H 1 1.881 0.020 . 1 . . . . A 73 ILE HB . 30527 1 719 . 1 1 73 73 ILE HG12 H 1 1.702 0.020 . 2 . . . . A 73 ILE HG12 . 30527 1 720 . 1 1 73 73 ILE HG13 H 1 1.032 0.020 . 2 . . . . A 73 ILE HG13 . 30527 1 721 . 1 1 73 73 ILE HG21 H 1 0.841 0.020 . 1 . . . . A 73 ILE HG21 . 30527 1 722 . 1 1 73 73 ILE HG22 H 1 0.841 0.020 . 1 . . . . A 73 ILE HG22 . 30527 1 723 . 1 1 73 73 ILE HG23 H 1 0.841 0.020 . 1 . . . . A 73 ILE HG23 . 30527 1 724 . 1 1 73 73 ILE HD11 H 1 0.658 0.020 . 1 . . . . A 73 ILE HD11 . 30527 1 725 . 1 1 73 73 ILE HD12 H 1 0.658 0.020 . 1 . . . . A 73 ILE HD12 . 30527 1 726 . 1 1 73 73 ILE HD13 H 1 0.658 0.020 . 1 . . . . A 73 ILE HD13 . 30527 1 727 . 1 1 73 73 ILE CA C 13 64.542 0.400 . 1 . . . . A 73 ILE CA . 30527 1 728 . 1 1 73 73 ILE CB C 13 38.349 0.400 . 1 . . . . A 73 ILE CB . 30527 1 729 . 1 1 73 73 ILE CG1 C 13 27.796 0.400 . 1 . . . . A 73 ILE CG1 . 30527 1 730 . 1 1 73 73 ILE CG2 C 13 17.333 0.400 . 1 . . . . A 73 ILE CG2 . 30527 1 731 . 1 1 73 73 ILE CD1 C 13 14.655 0.400 . 1 . . . . A 73 ILE CD1 . 30527 1 732 . 1 1 73 73 ILE N N 15 115.637 0.400 . 1 . . . . A 73 ILE N . 30527 1 733 . 1 1 74 74 GLU H H 1 8.391 0.020 . 1 . . . . A 74 GLU H . 30527 1 734 . 1 1 74 74 GLU HA H 1 4.111 0.020 . 1 . . . . A 74 GLU HA . 30527 1 735 . 1 1 74 74 GLU HB2 H 1 2.040 0.020 . 2 . . . . A 74 GLU HB2 . 30527 1 736 . 1 1 74 74 GLU HB3 H 1 2.040 0.020 . 2 . . . . A 74 GLU HB3 . 30527 1 737 . 1 1 74 74 GLU HG2 H 1 2.217 0.020 . 2 . . . . A 74 GLU HG2 . 30527 1 738 . 1 1 74 74 GLU HG3 H 1 2.436 0.020 . 2 . . . . A 74 GLU HG3 . 30527 1 739 . 1 1 74 74 GLU CA C 13 58.100 0.400 . 1 . . . . A 74 GLU CA . 30527 1 740 . 1 1 74 74 GLU CB C 13 29.300 0.400 . 1 . . . . A 74 GLU CB . 30527 1 741 . 1 1 74 74 GLU CG C 13 36.958 0.400 . 1 . . . . A 74 GLU CG . 30527 1 742 . 1 1 74 74 GLU N N 15 118.985 0.400 . 1 . . . . A 74 GLU N . 30527 1 743 . 1 1 75 75 ARG H H 1 7.750 0.020 . 1 . . . . A 75 ARG H . 30527 1 744 . 1 1 75 75 ARG HA H 1 4.182 0.020 . 1 . . . . A 75 ARG HA . 30527 1 745 . 1 1 75 75 ARG HB2 H 1 1.898 0.020 . 2 . . . . A 75 ARG HB2 . 30527 1 746 . 1 1 75 75 ARG HB3 H 1 1.887 0.020 . 2 . . . . A 75 ARG HB3 . 30527 1 747 . 1 1 75 75 ARG HG2 H 1 1.690 0.020 . 2 . . . . A 75 ARG HG2 . 30527 1 748 . 1 1 75 75 ARG HG3 H 1 1.690 0.020 . 2 . . . . A 75 ARG HG3 . 30527 1 749 . 1 1 75 75 ARG HD2 H 1 3.209 0.020 . 2 . . . . A 75 ARG HD2 . 30527 1 750 . 1 1 75 75 ARG HD3 H 1 3.210 0.020 . 2 . . . . A 75 ARG HD3 . 30527 1 751 . 1 1 75 75 ARG CA C 13 57.718 0.400 . 1 . . . . A 75 ARG CA . 30527 1 752 . 1 1 75 75 ARG CB C 13 30.830 0.400 . 1 . . . . A 75 ARG CB . 30527 1 753 . 1 1 75 75 ARG CG C 13 26.941 0.400 . 1 . . . . A 75 ARG CG . 30527 1 754 . 1 1 75 75 ARG CD C 13 43.520 0.400 . 1 . . . . A 75 ARG CD . 30527 1 755 . 1 1 75 75 ARG N N 15 119.264 0.400 . 1 . . . . A 75 ARG N . 30527 1 756 . 1 1 76 76 GLU H H 1 8.109 0.020 . 1 . . . . A 76 GLU H . 30527 1 757 . 1 1 76 76 GLU HA H 1 4.297 0.020 . 1 . . . . A 76 GLU HA . 30527 1 758 . 1 1 76 76 GLU HB2 H 1 1.940 0.020 . 2 . . . . A 76 GLU HB2 . 30527 1 759 . 1 1 76 76 GLU HB3 H 1 2.082 0.020 . 2 . . . . A 76 GLU HB3 . 30527 1 760 . 1 1 76 76 GLU HG2 H 1 2.298 0.020 . 2 . . . . A 76 GLU HG2 . 30527 1 761 . 1 1 76 76 GLU HG3 H 1 2.297 0.020 . 2 . . . . A 76 GLU HG3 . 30527 1 762 . 1 1 76 76 GLU CA C 13 56.345 0.400 . 1 . . . . A 76 GLU CA . 30527 1 763 . 1 1 76 76 GLU CB C 13 29.472 0.400 . 1 . . . . A 76 GLU CB . 30527 1 764 . 1 1 76 76 GLU CG C 13 36.278 0.400 . 1 . . . . A 76 GLU CG . 30527 1 765 . 1 1 76 76 GLU N N 15 118.635 0.400 . 1 . . . . A 76 GLU N . 30527 1 766 . 1 1 77 77 GLY H H 1 8.162 0.020 . 1 . . . . A 77 GLY H . 30527 1 767 . 1 1 77 77 GLY HA2 H 1 3.814 0.020 . 2 . . . . A 77 GLY HA2 . 30527 1 768 . 1 1 77 77 GLY HA3 H 1 3.995 0.020 . 2 . . . . A 77 GLY HA3 . 30527 1 769 . 1 1 77 77 GLY CA C 13 46.030 0.400 . 1 . . . . A 77 GLY CA . 30527 1 770 . 1 1 77 77 GLY N N 15 108.907 0.400 . 1 . . . . A 77 GLY N . 30527 1 771 . 1 1 78 78 SER H H 1 8.165 0.020 . 1 . . . . A 78 SER H . 30527 1 772 . 1 1 78 78 SER HA H 1 4.461 0.020 . 1 . . . . A 78 SER HA . 30527 1 773 . 1 1 78 78 SER HB2 H 1 3.909 0.020 . 2 . . . . A 78 SER HB2 . 30527 1 774 . 1 1 78 78 SER HB3 H 1 3.751 0.020 . 2 . . . . A 78 SER HB3 . 30527 1 775 . 1 1 78 78 SER CA C 13 58.014 0.400 . 1 . . . . A 78 SER CA . 30527 1 776 . 1 1 78 78 SER CB C 13 63.858 0.400 . 1 . . . . A 78 SER CB . 30527 1 777 . 1 1 78 78 SER N N 15 115.112 0.400 . 1 . . . . A 78 SER N . 30527 1 778 . 1 1 79 79 SER H H 1 8.425 0.020 . 1 . . . . A 79 SER H . 30527 1 779 . 1 1 79 79 SER HA H 1 4.547 0.020 . 1 . . . . A 79 SER HA . 30527 1 780 . 1 1 79 79 SER HB2 H 1 3.852 0.020 . 2 . . . . A 79 SER HB2 . 30527 1 781 . 1 1 79 79 SER HB3 H 1 3.901 0.020 . 2 . . . . A 79 SER HB3 . 30527 1 782 . 1 1 79 79 SER CA C 13 58.709 0.400 . 1 . . . . A 79 SER CA . 30527 1 783 . 1 1 79 79 SER CB C 13 64.163 0.400 . 1 . . . . A 79 SER CB . 30527 1 784 . 1 1 79 79 SER N N 15 118.624 0.400 . 1 . . . . A 79 SER N . 30527 1 785 . 1 1 80 80 GLU H H 1 8.284 0.020 . 1 . . . . A 80 GLU H . 30527 1 786 . 1 1 80 80 GLU HA H 1 4.561 0.020 . 1 . . . . A 80 GLU HA . 30527 1 787 . 1 1 80 80 GLU HB2 H 1 1.973 0.020 . 2 . . . . A 80 GLU HB2 . 30527 1 788 . 1 1 80 80 GLU HB3 H 1 2.065 0.020 . 2 . . . . A 80 GLU HB3 . 30527 1 789 . 1 1 80 80 GLU HG2 H 1 2.221 0.020 . 2 . . . . A 80 GLU HG2 . 30527 1 790 . 1 1 80 80 GLU HG3 H 1 2.286 0.020 . 2 . . . . A 80 GLU HG3 . 30527 1 791 . 1 1 80 80 GLU CA C 13 56.012 0.400 . 1 . . . . A 80 GLU CA . 30527 1 792 . 1 1 80 80 GLU CB C 13 29.870 0.400 . 1 . . . . A 80 GLU CB . 30527 1 793 . 1 1 80 80 GLU CG C 13 36.128 0.400 . 1 . . . . A 80 GLU CG . 30527 1 794 . 1 1 80 80 GLU N N 15 121.724 0.400 . 1 . . . . A 80 GLU N . 30527 1 795 . 1 1 81 81 VAL H H 1 8.353 0.020 . 1 . . . . A 81 VAL H . 30527 1 796 . 1 1 81 81 VAL HA H 1 4.708 0.020 . 1 . . . . A 81 VAL HA . 30527 1 797 . 1 1 81 81 VAL HB H 1 1.971 0.020 . 1 . . . . A 81 VAL HB . 30527 1 798 . 1 1 81 81 VAL HG11 H 1 0.886 0.020 . 2 . . . . A 81 VAL HG11 . 30527 1 799 . 1 1 81 81 VAL HG12 H 1 0.886 0.020 . 2 . . . . A 81 VAL HG12 . 30527 1 800 . 1 1 81 81 VAL HG13 H 1 0.886 0.020 . 2 . . . . A 81 VAL HG13 . 30527 1 801 . 1 1 81 81 VAL HG21 H 1 0.793 0.020 . 2 . . . . A 81 VAL HG21 . 30527 1 802 . 1 1 81 81 VAL HG22 H 1 0.793 0.020 . 2 . . . . A 81 VAL HG22 . 30527 1 803 . 1 1 81 81 VAL HG23 H 1 0.793 0.020 . 2 . . . . A 81 VAL HG23 . 30527 1 804 . 1 1 81 81 VAL CA C 13 61.455 0.400 . 1 . . . . A 81 VAL CA . 30527 1 805 . 1 1 81 81 VAL CB C 13 34.948 0.400 . 1 . . . . A 81 VAL CB . 30527 1 806 . 1 1 81 81 VAL CG1 C 13 21.508 0.400 . 1 . . . . A 81 VAL CG1 . 30527 1 807 . 1 1 81 81 VAL CG2 C 13 20.795 0.400 . 1 . . . . A 81 VAL CG2 . 30527 1 808 . 1 1 81 81 VAL N N 15 123.353 0.400 . 1 . . . . A 81 VAL N . 30527 1 809 . 1 1 82 82 GLU H H 1 8.586 0.020 . 1 . . . . A 82 GLU H . 30527 1 810 . 1 1 82 82 GLU HA H 1 5.171 0.020 . 1 . . . . A 82 GLU HA . 30527 1 811 . 1 1 82 82 GLU HB2 H 1 1.993 0.020 . 2 . . . . A 82 GLU HB2 . 30527 1 812 . 1 1 82 82 GLU HB3 H 1 2.042 0.020 . 2 . . . . A 82 GLU HB3 . 30527 1 813 . 1 1 82 82 GLU HG2 H 1 2.069 0.020 . 2 . . . . A 82 GLU HG2 . 30527 1 814 . 1 1 82 82 GLU HG3 H 1 2.194 0.020 . 2 . . . . A 82 GLU HG3 . 30527 1 815 . 1 1 82 82 GLU CA C 13 55.095 0.400 . 1 . . . . A 82 GLU CA . 30527 1 816 . 1 1 82 82 GLU CB C 13 33.850 0.400 . 1 . . . . A 82 GLU CB . 30527 1 817 . 1 1 82 82 GLU CG C 13 36.866 0.400 . 1 . . . . A 82 GLU CG . 30527 1 818 . 1 1 82 82 GLU N N 15 126.828 0.400 . 1 . . . . A 82 GLU N . 30527 1 819 . 1 1 83 83 VAL H H 1 9.152 0.020 . 1 . . . . A 83 VAL H . 30527 1 820 . 1 1 83 83 VAL HA H 1 5.234 0.020 . 1 . . . . A 83 VAL HA . 30527 1 821 . 1 1 83 83 VAL HB H 1 2.033 0.020 . 1 . . . . A 83 VAL HB . 30527 1 822 . 1 1 83 83 VAL HG11 H 1 0.872 0.020 . 2 . . . . A 83 VAL HG11 . 30527 1 823 . 1 1 83 83 VAL HG12 H 1 0.872 0.020 . 2 . . . . A 83 VAL HG12 . 30527 1 824 . 1 1 83 83 VAL HG13 H 1 0.872 0.020 . 2 . . . . A 83 VAL HG13 . 30527 1 825 . 1 1 83 83 VAL HG21 H 1 0.912 0.020 . 2 . . . . A 83 VAL HG21 . 30527 1 826 . 1 1 83 83 VAL HG22 H 1 0.912 0.020 . 2 . . . . A 83 VAL HG22 . 30527 1 827 . 1 1 83 83 VAL HG23 H 1 0.912 0.020 . 2 . . . . A 83 VAL HG23 . 30527 1 828 . 1 1 83 83 VAL CA C 13 60.608 0.400 . 1 . . . . A 83 VAL CA . 30527 1 829 . 1 1 83 83 VAL CB C 13 34.958 0.400 . 1 . . . . A 83 VAL CB . 30527 1 830 . 1 1 83 83 VAL CG1 C 13 21.469 0.400 . 1 . . . . A 83 VAL CG1 . 30527 1 831 . 1 1 83 83 VAL CG2 C 13 21.438 0.400 . 1 . . . . A 83 VAL CG2 . 30527 1 832 . 1 1 83 83 VAL N N 15 125.594 0.400 . 1 . . . . A 83 VAL N . 30527 1 833 . 1 1 84 84 ASN H H 1 9.444 0.020 . 1 . . . . A 84 ASN H . 30527 1 834 . 1 1 84 84 ASN HA H 1 5.899 0.020 . 1 . . . . A 84 ASN HA . 30527 1 835 . 1 1 84 84 ASN HB2 H 1 2.243 0.020 . 2 . . . . A 84 ASN HB2 . 30527 1 836 . 1 1 84 84 ASN HB3 H 1 2.741 0.020 . 2 . . . . A 84 ASN HB3 . 30527 1 837 . 1 1 84 84 ASN HD21 H 1 7.364 0.020 . 2 . . . . A 84 ASN HD21 . 30527 1 838 . 1 1 84 84 ASN HD22 H 1 7.652 0.020 . 2 . . . . A 84 ASN HD22 . 30527 1 839 . 1 1 84 84 ASN CA C 13 51.858 0.400 . 1 . . . . A 84 ASN CA . 30527 1 840 . 1 1 84 84 ASN CB C 13 42.522 0.400 . 1 . . . . A 84 ASN CB . 30527 1 841 . 1 1 84 84 ASN N N 15 124.625 0.400 . 1 . . . . A 84 ASN N . 30527 1 842 . 1 1 84 84 ASN ND2 N 15 113.675 0.400 . 1 . . . . A 84 ASN ND2 . 30527 1 843 . 1 1 85 85 VAL H H 1 9.667 0.020 . 1 . . . . A 85 VAL H . 30527 1 844 . 1 1 85 85 VAL HA H 1 4.912 0.020 . 1 . . . . A 85 VAL HA . 30527 1 845 . 1 1 85 85 VAL HB H 1 2.331 0.020 . 1 . . . . A 85 VAL HB . 30527 1 846 . 1 1 85 85 VAL HG11 H 1 0.953 0.020 . 2 . . . . A 85 VAL HG11 . 30527 1 847 . 1 1 85 85 VAL HG12 H 1 0.953 0.020 . 2 . . . . A 85 VAL HG12 . 30527 1 848 . 1 1 85 85 VAL HG13 H 1 0.953 0.020 . 2 . . . . A 85 VAL HG13 . 30527 1 849 . 1 1 85 85 VAL HG21 H 1 0.997 0.020 . 2 . . . . A 85 VAL HG21 . 30527 1 850 . 1 1 85 85 VAL HG22 H 1 0.997 0.020 . 2 . . . . A 85 VAL HG22 . 30527 1 851 . 1 1 85 85 VAL HG23 H 1 0.997 0.020 . 2 . . . . A 85 VAL HG23 . 30527 1 852 . 1 1 85 85 VAL CA C 13 61.079 0.400 . 1 . . . . A 85 VAL CA . 30527 1 853 . 1 1 85 85 VAL CB C 13 34.140 0.400 . 1 . . . . A 85 VAL CB . 30527 1 854 . 1 1 85 85 VAL CG1 C 13 21.507 0.400 . 1 . . . . A 85 VAL CG1 . 30527 1 855 . 1 1 85 85 VAL CG2 C 13 21.851 0.400 . 1 . . . . A 85 VAL CG2 . 30527 1 856 . 1 1 85 85 VAL N N 15 123.320 0.400 . 1 . . . . A 85 VAL N . 30527 1 857 . 1 1 86 86 HIS H H 1 9.674 0.020 . 1 . . . . A 86 HIS H . 30527 1 858 . 1 1 86 86 HIS HA H 1 6.018 0.020 . 1 . . . . A 86 HIS HA . 30527 1 859 . 1 1 86 86 HIS HB2 H 1 3.211 0.020 . 2 . . . . A 86 HIS HB2 . 30527 1 860 . 1 1 86 86 HIS HB3 H 1 3.148 0.020 . 2 . . . . A 86 HIS HB3 . 30527 1 861 . 1 1 86 86 HIS HD2 H 1 6.804 0.020 . 1 . . . . A 86 HIS HD2 . 30527 1 862 . 1 1 86 86 HIS CA C 13 53.627 0.400 . 1 . . . . A 86 HIS CA . 30527 1 863 . 1 1 86 86 HIS CB C 13 32.418 0.400 . 1 . . . . A 86 HIS CB . 30527 1 864 . 1 1 86 86 HIS CD2 C 13 119.840 0.400 . 1 . . . . A 86 HIS CD2 . 30527 1 865 . 1 1 86 86 HIS N N 15 125.408 0.400 . 1 . . . . A 86 HIS N . 30527 1 866 . 1 1 87 87 SER H H 1 9.055 0.020 . 1 . . . . A 87 SER H . 30527 1 867 . 1 1 87 87 SER HA H 1 4.856 0.020 . 1 . . . . A 87 SER HA . 30527 1 868 . 1 1 87 87 SER HB2 H 1 4.080 0.020 . 2 . . . . A 87 SER HB2 . 30527 1 869 . 1 1 87 87 SER HB3 H 1 3.812 0.020 . 2 . . . . A 87 SER HB3 . 30527 1 870 . 1 1 87 87 SER CA C 13 59.198 0.400 . 1 . . . . A 87 SER CA . 30527 1 871 . 1 1 87 87 SER CB C 13 65.755 0.400 . 1 . . . . A 87 SER CB . 30527 1 872 . 1 1 87 87 SER N N 15 117.556 0.400 . 1 . . . . A 87 SER N . 30527 1 873 . 1 1 88 88 GLY H H 1 9.896 0.020 . 1 . . . . A 88 GLY H . 30527 1 874 . 1 1 88 88 GLY HA3 H 1 4.049 0.020 . 2 . . . . A 88 GLY HA3 . 30527 1 875 . 1 1 88 88 GLY CA C 13 47.266 0.400 . 1 . . . . A 88 GLY CA . 30527 1 876 . 1 1 88 88 GLY N N 15 118.807 0.400 . 1 . . . . A 88 GLY N . 30527 1 877 . 1 1 89 89 GLY H H 1 8.927 0.020 . 1 . . . . A 89 GLY H . 30527 1 878 . 1 1 89 89 GLY HA2 H 1 3.703 0.020 . 2 . . . . A 89 GLY HA2 . 30527 1 879 . 1 1 89 89 GLY HA3 H 1 4.183 0.020 . 2 . . . . A 89 GLY HA3 . 30527 1 880 . 1 1 89 89 GLY CA C 13 45.124 0.400 . 1 . . . . A 89 GLY CA . 30527 1 881 . 1 1 89 89 GLY N N 15 107.829 0.400 . 1 . . . . A 89 GLY N . 30527 1 882 . 1 1 90 90 GLN H H 1 7.830 0.020 . 1 . . . . A 90 GLN H . 30527 1 883 . 1 1 90 90 GLN HA H 1 4.437 0.020 . 1 . . . . A 90 GLN HA . 30527 1 884 . 1 1 90 90 GLN HB2 H 1 1.278 0.020 . 2 . . . . A 90 GLN HB2 . 30527 1 885 . 1 1 90 90 GLN HB3 H 1 1.847 0.020 . 2 . . . . A 90 GLN HB3 . 30527 1 886 . 1 1 90 90 GLN HG2 H 1 1.682 0.020 . 2 . . . . A 90 GLN HG2 . 30527 1 887 . 1 1 90 90 GLN HG3 H 1 1.917 0.020 . 2 . . . . A 90 GLN HG3 . 30527 1 888 . 1 1 90 90 GLN HE21 H 1 6.909 0.020 . 2 . . . . A 90 GLN HE21 . 30527 1 889 . 1 1 90 90 GLN HE22 H 1 7.186 0.020 . 2 . . . . A 90 GLN HE22 . 30527 1 890 . 1 1 90 90 GLN CA C 13 54.079 0.400 . 1 . . . . A 90 GLN CA . 30527 1 891 . 1 1 90 90 GLN CB C 13 31.976 0.400 . 1 . . . . A 90 GLN CB . 30527 1 892 . 1 1 90 90 GLN CG C 13 34.231 0.400 . 1 . . . . A 90 GLN CG . 30527 1 893 . 1 1 90 90 GLN N N 15 120.826 0.400 . 1 . . . . A 90 GLN N . 30527 1 894 . 1 1 90 90 GLN NE2 N 15 111.961 0.400 . 1 . . . . A 90 GLN NE2 . 30527 1 895 . 1 1 91 91 THR H H 1 7.986 0.020 . 1 . . . . A 91 THR H . 30527 1 896 . 1 1 91 91 THR HA H 1 5.523 0.020 . 1 . . . . A 91 THR HA . 30527 1 897 . 1 1 91 91 THR HB H 1 3.540 0.020 . 1 . . . . A 91 THR HB . 30527 1 898 . 1 1 91 91 THR HG21 H 1 0.960 0.020 . 1 . . . . A 91 THR HG21 . 30527 1 899 . 1 1 91 91 THR HG22 H 1 0.960 0.020 . 1 . . . . A 91 THR HG22 . 30527 1 900 . 1 1 91 91 THR HG23 H 1 0.960 0.020 . 1 . . . . A 91 THR HG23 . 30527 1 901 . 1 1 91 91 THR CA C 13 61.789 0.400 . 1 . . . . A 91 THR CA . 30527 1 902 . 1 1 91 91 THR CB C 13 72.429 0.400 . 1 . . . . A 91 THR CB . 30527 1 903 . 1 1 91 91 THR CG2 C 13 21.803 0.400 . 1 . . . . A 91 THR CG2 . 30527 1 904 . 1 1 91 91 THR N N 15 118.242 0.400 . 1 . . . . A 91 THR N . 30527 1 905 . 1 1 92 92 TRP H H 1 9.652 0.020 . 1 . . . . A 92 TRP H . 30527 1 906 . 1 1 92 92 TRP HA H 1 4.603 0.020 . 1 . . . . A 92 TRP HA . 30527 1 907 . 1 1 92 92 TRP HB2 H 1 3.070 0.020 . 2 . . . . A 92 TRP HB2 . 30527 1 908 . 1 1 92 92 TRP HB3 H 1 2.892 0.020 . 2 . . . . A 92 TRP HB3 . 30527 1 909 . 1 1 92 92 TRP HD1 H 1 7.093 0.020 . 1 . . . . A 92 TRP HD1 . 30527 1 910 . 1 1 92 92 TRP HE1 H 1 10.079 0.020 . 1 . . . . A 92 TRP HE1 . 30527 1 911 . 1 1 92 92 TRP HE3 H 1 7.663 0.020 . 1 . . . . A 92 TRP HE3 . 30527 1 912 . 1 1 92 92 TRP HZ2 H 1 7.282 0.020 . 1 . . . . A 92 TRP HZ2 . 30527 1 913 . 1 1 92 92 TRP HZ3 H 1 6.883 0.020 . 1 . . . . A 92 TRP HZ3 . 30527 1 914 . 1 1 92 92 TRP HH2 H 1 7.010 0.020 . 1 . . . . A 92 TRP HH2 . 30527 1 915 . 1 1 92 92 TRP CA C 13 58.282 0.400 . 1 . . . . A 92 TRP CA . 30527 1 916 . 1 1 92 92 TRP CB C 13 33.762 0.400 . 1 . . . . A 92 TRP CB . 30527 1 917 . 1 1 92 92 TRP CD1 C 13 126.613 0.400 . 1 . . . . A 92 TRP CD1 . 30527 1 918 . 1 1 92 92 TRP CE3 C 13 121.662 0.400 . 1 . . . . A 92 TRP CE3 . 30527 1 919 . 1 1 92 92 TRP CZ2 C 13 114.462 0.400 . 1 . . . . A 92 TRP CZ2 . 30527 1 920 . 1 1 92 92 TRP CZ3 C 13 121.599 0.400 . 1 . . . . A 92 TRP CZ3 . 30527 1 921 . 1 1 92 92 TRP CH2 C 13 124.691 0.400 . 1 . . . . A 92 TRP CH2 . 30527 1 922 . 1 1 92 92 TRP N N 15 129.210 0.400 . 1 . . . . A 92 TRP N . 30527 1 923 . 1 1 92 92 TRP NE1 N 15 128.624 0.400 . 1 . . . . A 92 TRP NE1 . 30527 1 924 . 1 1 93 93 THR H H 1 8.541 0.020 . 1 . . . . A 93 THR H . 30527 1 925 . 1 1 93 93 THR HA H 1 5.213 0.020 . 1 . . . . A 93 THR HA . 30527 1 926 . 1 1 93 93 THR HB H 1 3.780 0.020 . 1 . . . . A 93 THR HB . 30527 1 927 . 1 1 93 93 THR HG21 H 1 1.150 0.020 . 1 . . . . A 93 THR HG21 . 30527 1 928 . 1 1 93 93 THR HG22 H 1 1.150 0.020 . 1 . . . . A 93 THR HG22 . 30527 1 929 . 1 1 93 93 THR HG23 H 1 1.150 0.020 . 1 . . . . A 93 THR HG23 . 30527 1 930 . 1 1 93 93 THR CA C 13 61.826 0.400 . 1 . . . . A 93 THR CA . 30527 1 931 . 1 1 93 93 THR CB C 13 71.280 0.400 . 1 . . . . A 93 THR CB . 30527 1 932 . 1 1 93 93 THR CG2 C 13 21.874 0.400 . 1 . . . . A 93 THR CG2 . 30527 1 933 . 1 1 93 93 THR N N 15 119.119 0.400 . 1 . . . . A 93 THR N . 30527 1 934 . 1 1 94 94 PHE H H 1 9.389 0.020 . 1 . . . . A 94 PHE H . 30527 1 935 . 1 1 94 94 PHE HA H 1 4.963 0.020 . 1 . . . . A 94 PHE HA . 30527 1 936 . 1 1 94 94 PHE HB2 H 1 3.023 0.020 . 2 . . . . A 94 PHE HB2 . 30527 1 937 . 1 1 94 94 PHE HB3 H 1 2.908 0.020 . 2 . . . . A 94 PHE HB3 . 30527 1 938 . 1 1 94 94 PHE HD2 H 1 7.170 0.020 . 1 . . . . A 94 PHE HD2 . 30527 1 939 . 1 1 94 94 PHE HE1 H 1 6.988 0.020 . 1 . . . . A 94 PHE HE1 . 30527 1 940 . 1 1 94 94 PHE HZ H 1 7.222 0.020 . 1 . . . . A 94 PHE HZ . 30527 1 941 . 1 1 94 94 PHE CA C 13 56.241 0.400 . 1 . . . . A 94 PHE CA . 30527 1 942 . 1 1 94 94 PHE CB C 13 40.837 0.400 . 1 . . . . A 94 PHE CB . 30527 1 943 . 1 1 94 94 PHE CD2 C 13 131.909 0.400 . 1 . . . . A 94 PHE CD2 . 30527 1 944 . 1 1 94 94 PHE CE1 C 13 131.258 0.400 . 1 . . . . A 94 PHE CE1 . 30527 1 945 . 1 1 94 94 PHE CZ C 13 129.743 0.400 . 1 . . . . A 94 PHE CZ . 30527 1 946 . 1 1 94 94 PHE N N 15 125.129 0.400 . 1 . . . . A 94 PHE N . 30527 1 947 . 1 1 95 95 ASN H H 1 8.767 0.020 . 1 . . . . A 95 ASN H . 30527 1 948 . 1 1 95 95 ASN HA H 1 5.352 0.020 . 1 . . . . A 95 ASN HA . 30527 1 949 . 1 1 95 95 ASN HB2 H 1 2.909 0.020 . 2 . . . . A 95 ASN HB2 . 30527 1 950 . 1 1 95 95 ASN HB3 H 1 2.782 0.020 . 2 . . . . A 95 ASN HB3 . 30527 1 951 . 1 1 95 95 ASN HD21 H 1 6.902 0.020 . 2 . . . . A 95 ASN HD21 . 30527 1 952 . 1 1 95 95 ASN HD22 H 1 7.165 0.020 . 2 . . . . A 95 ASN HD22 . 30527 1 953 . 1 1 95 95 ASN CA C 13 52.819 0.400 . 1 . . . . A 95 ASN CA . 30527 1 954 . 1 1 95 95 ASN CB C 13 41.711 0.400 . 1 . . . . A 95 ASN CB . 30527 1 955 . 1 1 95 95 ASN N N 15 120.738 0.400 . 1 . . . . A 95 ASN N . 30527 1 956 . 1 1 95 95 ASN ND2 N 15 112.361 0.400 . 1 . . . . A 95 ASN ND2 . 30527 1 957 . 1 1 96 96 GLU H H 1 8.855 0.020 . 1 . . . . A 96 GLU H . 30527 1 958 . 1 1 96 96 GLU HA H 1 4.848 0.020 . 1 . . . . A 96 GLU HA . 30527 1 959 . 1 1 96 96 GLU HB2 H 1 2.081 0.020 . 2 . . . . A 96 GLU HB2 . 30527 1 960 . 1 1 96 96 GLU HB3 H 1 1.933 0.020 . 2 . . . . A 96 GLU HB3 . 30527 1 961 . 1 1 96 96 GLU HG2 H 1 2.312 0.020 . 2 . . . . A 96 GLU HG2 . 30527 1 962 . 1 1 96 96 GLU HG3 H 1 2.311 0.020 . 2 . . . . A 96 GLU HG3 . 30527 1 963 . 1 1 96 96 GLU CA C 13 56.067 0.400 . 1 . . . . A 96 GLU CA . 30527 1 964 . 1 1 96 96 GLU CB C 13 30.790 0.400 . 1 . . . . A 96 GLU CB . 30527 1 965 . 1 1 96 96 GLU CG C 13 36.195 0.400 . 1 . . . . A 96 GLU CG . 30527 1 966 . 1 1 96 96 GLU N N 15 121.802 0.400 . 1 . . . . A 96 GLU N . 30527 1 967 . 1 1 97 97 LYS H H 1 8.021 0.020 . 1 . . . . A 97 LYS H . 30527 1 968 . 1 1 97 97 LYS HA H 1 4.270 0.020 . 1 . . . . A 97 LYS HA . 30527 1 969 . 1 1 97 97 LYS HB2 H 1 1.877 0.020 . 2 . . . . A 97 LYS HB2 . 30527 1 970 . 1 1 97 97 LYS HB3 H 1 1.745 0.020 . 2 . . . . A 97 LYS HB3 . 30527 1 971 . 1 1 97 97 LYS HG2 H 1 1.379 0.020 . 2 . . . . A 97 LYS HG2 . 30527 1 972 . 1 1 97 97 LYS HG3 H 1 1.383 0.020 . 2 . . . . A 97 LYS HG3 . 30527 1 973 . 1 1 97 97 LYS HD2 H 1 1.652 0.020 . 2 . . . . A 97 LYS HD2 . 30527 1 974 . 1 1 97 97 LYS HD3 H 1 1.658 0.020 . 2 . . . . A 97 LYS HD3 . 30527 1 975 . 1 1 97 97 LYS HE2 H 1 2.934 0.020 . 2 . . . . A 97 LYS HE2 . 30527 1 976 . 1 1 97 97 LYS HE3 H 1 2.934 0.020 . 2 . . . . A 97 LYS HE3 . 30527 1 977 . 1 1 97 97 LYS CA C 13 57.844 0.400 . 1 . . . . A 97 LYS CA . 30527 1 978 . 1 1 97 97 LYS CB C 13 34.177 0.400 . 1 . . . . A 97 LYS CB . 30527 1 979 . 1 1 97 97 LYS CG C 13 24.802 0.400 . 1 . . . . A 97 LYS CG . 30527 1 980 . 1 1 97 97 LYS CD C 13 29.168 0.400 . 1 . . . . A 97 LYS CD . 30527 1 981 . 1 1 97 97 LYS CE C 13 42.248 0.400 . 1 . . . . A 97 LYS CE . 30527 1 982 . 1 1 97 97 LYS N N 15 127.794 0.400 . 1 . . . . A 97 LYS N . 30527 1 stop_ save_