data_30193 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30193 _Entry.Title ; Solution Structure of the N-terminal DNA-binding domain of the master biofilm-regulator SinR from Bacillus subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-10-13 _Entry.Accession_date 2016-10-13 _Entry.Last_release_date 2016-11-28 _Entry.Original_release_date 2016-11-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 G. Draughn G. L. . . 30193 2 B. Bobay B. G. . . 30193 3 S. Stowe S. D. . . 30193 4 R. Thompson R. J. . . 30193 5 J. Cavanagh J. . . . 30193 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'biofilm formation' . 30193 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30193 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 309 30193 '15N chemical shifts' 66 30193 '1H chemical shifts' 465 30193 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-10-19 . original BMRB . 30193 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30192 'Solution Structure of SinI, antagonist to the master biofilm-regulator SinR in Bacillus subtilis' 30193 BMRB 30194 'Solution Structure of the C-terminal multimerization domain of the master biofilm-regulator SinR from Bacillus subtilis' 30193 PDB 5TN0 'BMRB Entry Tracking System' 30193 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30193 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of the N-terminal DNA-binding domain of the master biofilm-regulator SinR from Bacillus subtilis ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 G. Draughn G. L. . . 30193 1 2 B. Bobay B. G. . . 30193 1 3 S. Stowe S. D. . . 30193 1 4 R. Thompson R. J. . . 30193 1 5 J. Cavanagh J. . . . 30193 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30193 _Assembly.ID 1 _Assembly.Name 'HTH-type transcriptional regulator SinR' _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 . . . . . . 30193 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30193 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HTH-type transcriptional regulator SinR' _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 ; MIGQRIKQYRKEKGYSLSEL AEKAGVAKSYLSSIERNLQT NPSIQFLEKVSAVLDVSVHT LLDEKHETE ; _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 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 1-69' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7847.908 _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 1 MET . 30193 1 2 2 ILE . 30193 1 3 3 GLY . 30193 1 4 4 GLN . 30193 1 5 5 ARG . 30193 1 6 6 ILE . 30193 1 7 7 LYS . 30193 1 8 8 GLN . 30193 1 9 9 TYR . 30193 1 10 10 ARG . 30193 1 11 11 LYS . 30193 1 12 12 GLU . 30193 1 13 13 LYS . 30193 1 14 14 GLY . 30193 1 15 15 TYR . 30193 1 16 16 SER . 30193 1 17 17 LEU . 30193 1 18 18 SER . 30193 1 19 19 GLU . 30193 1 20 20 LEU . 30193 1 21 21 ALA . 30193 1 22 22 GLU . 30193 1 23 23 LYS . 30193 1 24 24 ALA . 30193 1 25 25 GLY . 30193 1 26 26 VAL . 30193 1 27 27 ALA . 30193 1 28 28 LYS . 30193 1 29 29 SER . 30193 1 30 30 TYR . 30193 1 31 31 LEU . 30193 1 32 32 SER . 30193 1 33 33 SER . 30193 1 34 34 ILE . 30193 1 35 35 GLU . 30193 1 36 36 ARG . 30193 1 37 37 ASN . 30193 1 38 38 LEU . 30193 1 39 39 GLN . 30193 1 40 40 THR . 30193 1 41 41 ASN . 30193 1 42 42 PRO . 30193 1 43 43 SER . 30193 1 44 44 ILE . 30193 1 45 45 GLN . 30193 1 46 46 PHE . 30193 1 47 47 LEU . 30193 1 48 48 GLU . 30193 1 49 49 LYS . 30193 1 50 50 VAL . 30193 1 51 51 SER . 30193 1 52 52 ALA . 30193 1 53 53 VAL . 30193 1 54 54 LEU . 30193 1 55 55 ASP . 30193 1 56 56 VAL . 30193 1 57 57 SER . 30193 1 58 58 VAL . 30193 1 59 59 HIS . 30193 1 60 60 THR . 30193 1 61 61 LEU . 30193 1 62 62 LEU . 30193 1 63 63 ASP . 30193 1 64 64 GLU . 30193 1 65 65 LYS . 30193 1 66 66 HIS . 30193 1 67 67 GLU . 30193 1 68 68 THR . 30193 1 69 69 GLU . 30193 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 30193 1 . ILE 2 2 30193 1 . GLY 3 3 30193 1 . GLN 4 4 30193 1 . ARG 5 5 30193 1 . ILE 6 6 30193 1 . LYS 7 7 30193 1 . GLN 8 8 30193 1 . TYR 9 9 30193 1 . ARG 10 10 30193 1 . LYS 11 11 30193 1 . GLU 12 12 30193 1 . LYS 13 13 30193 1 . GLY 14 14 30193 1 . TYR 15 15 30193 1 . SER 16 16 30193 1 . LEU 17 17 30193 1 . SER 18 18 30193 1 . GLU 19 19 30193 1 . LEU 20 20 30193 1 . ALA 21 21 30193 1 . GLU 22 22 30193 1 . LYS 23 23 30193 1 . ALA 24 24 30193 1 . GLY 25 25 30193 1 . VAL 26 26 30193 1 . ALA 27 27 30193 1 . LYS 28 28 30193 1 . SER 29 29 30193 1 . TYR 30 30 30193 1 . LEU 31 31 30193 1 . SER 32 32 30193 1 . SER 33 33 30193 1 . ILE 34 34 30193 1 . GLU 35 35 30193 1 . ARG 36 36 30193 1 . ASN 37 37 30193 1 . LEU 38 38 30193 1 . GLN 39 39 30193 1 . THR 40 40 30193 1 . ASN 41 41 30193 1 . PRO 42 42 30193 1 . SER 43 43 30193 1 . ILE 44 44 30193 1 . GLN 45 45 30193 1 . PHE 46 46 30193 1 . LEU 47 47 30193 1 . GLU 48 48 30193 1 . LYS 49 49 30193 1 . VAL 50 50 30193 1 . SER 51 51 30193 1 . ALA 52 52 30193 1 . VAL 53 53 30193 1 . LEU 54 54 30193 1 . ASP 55 55 30193 1 . VAL 56 56 30193 1 . SER 57 57 30193 1 . VAL 58 58 30193 1 . HIS 59 59 30193 1 . THR 60 60 30193 1 . LEU 61 61 30193 1 . LEU 62 62 30193 1 . ASP 63 63 30193 1 . GLU 64 64 30193 1 . LYS 65 65 30193 1 . HIS 66 66 30193 1 . GLU 67 67 30193 1 . THR 68 68 30193 1 . GLU 69 69 30193 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 30193 _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 . 224308 organism . 'Bacillus subtilis (strain 168)' firmicutes . . Bacteria . Bacillus subtilis 168 . . . . . . . . . . 'sinR, flaD, sin, BSU24610' . 30193 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 30193 _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' . . 469008 Escherichia coli BL21(DE3) . . . . . . . . . 30193 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30193 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-15N] SinrN, 20 mM MES, 200 mM sodium chloride, 0.02 % sodium azide, 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 MES 'natural abundance' . . . . . . 20 . . mM . . . . 30193 1 2 SinrN [U-15N] . . 1 $entity_1 . . 1 . . mM . . . . 30193 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 30193 1 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 30193 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30193 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30193 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30193 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] SinrN, 20 mM MES, 200 mM sodium chloride, 0.02 % sodium azide, 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 MES 'natural abundance' . . . . . . 20 . . mM . . . . 30193 2 2 SinrN '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30193 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 30193 2 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 30193 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30193 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30193 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30193 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] SinRN, 20 mM MES, 200 mM sodium chloride, 0.02 % sodium azide, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MES 'natural abundance' . . . . . . 20 . . mM . . . . 30193 3 2 SinRN '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30193 3 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 30193 3 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 30193 3 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 30193 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30193 _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' 200 . mM 30193 1 pH 6.0 . pH 30193 1 pressure 1 . atm 30193 1 temperature 293 . K 30193 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30193 _Software.ID 1 _Software.Name AMBER _Software.Version 14 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman' . . 30193 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30193 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30193 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30193 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30193 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30193 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30193 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30193 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30193 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30193 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30193 4 'peak picking' 30193 4 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 30193 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30193 _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 Avance . 700 . . . 30193 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 30193 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30193 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30193 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30193 1 4 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30193 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30193 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30193 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30193 1 8 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30193 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30193 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30193 1 11 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30193 1 12 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30193 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 30193 _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 . . . . . 30193 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30193 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30193 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 30193 _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 0.04 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30193 1 2 '2D 1H-13C HSQC' . . . 30193 1 3 '3D HNCA' . . . 30193 1 4 '3D HN(CO)CA' . . . 30193 1 5 '3D HNCO' . . . 30193 1 6 '3D 1H-13C NOESY' . . . 30193 1 7 '3D 1H-15N NOESY' . . . 30193 1 8 '3D C(CO)NH' . . . 30193 1 9 '3D 1H-15N TOCSY' . . . 30193 1 10 '3D CBCA(CO)NH' . . . 30193 1 11 '3D HNCACB' . . . 30193 1 12 '3D HN(CA)CO' . . . 30193 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ILE HA H 1 4.2130 0.04 . 1 . . . A 2 ILE HA . 30193 1 2 . 1 1 2 2 ILE HB H 1 2.0970 0.04 . 1 . . . A 2 ILE HB . 30193 1 3 . 1 1 2 2 ILE HG12 H 1 1.3800 0.04 . 1 . . . A 2 ILE HG12 . 30193 1 4 . 1 1 2 2 ILE HG13 H 1 1.8220 0.04 . 1 . . . A 2 ILE HG13 . 30193 1 5 . 1 1 2 2 ILE HG21 H 1 1.0950 0.04 . 1 . . . A 2 ILE HG21 . 30193 1 6 . 1 1 2 2 ILE HG22 H 1 1.0950 0.04 . 1 . . . A 2 ILE HG22 . 30193 1 7 . 1 1 2 2 ILE HG23 H 1 1.0950 0.04 . 1 . . . A 2 ILE HG23 . 30193 1 8 . 1 1 2 2 ILE HD11 H 1 1.1080 0.04 . 1 . . . A 2 ILE HD11 . 30193 1 9 . 1 1 2 2 ILE HD12 H 1 1.1080 0.04 . 1 . . . A 2 ILE HD12 . 30193 1 10 . 1 1 2 2 ILE HD13 H 1 1.1080 0.04 . 1 . . . A 2 ILE HD13 . 30193 1 11 . 1 1 2 2 ILE C C 13 177.0520 0.4 . 1 . . . A 2 ILE C . 30193 1 12 . 1 1 2 2 ILE CA C 13 65.6840 0.4 . 1 . . . A 2 ILE CA . 30193 1 13 . 1 1 2 2 ILE CB C 13 39.7830 0.4 . 1 . . . A 2 ILE CB . 30193 1 14 . 1 1 2 2 ILE CG1 C 13 30.6400 0.4 . 1 . . . A 2 ILE CG1 . 30193 1 15 . 1 1 2 2 ILE CG2 C 13 18.8320 0.4 . 1 . . . A 2 ILE CG2 . 30193 1 16 . 1 1 2 2 ILE CD1 C 13 16.1630 0.4 . 1 . . . A 2 ILE CD1 . 30193 1 17 . 1 1 3 3 GLY H H 1 9.0330 0.04 . 1 . . . A 3 GLY H . 30193 1 18 . 1 1 3 3 GLY HA2 H 1 3.6280 0.04 . 1 . . . A 3 GLY HA2 . 30193 1 19 . 1 1 3 3 GLY HA3 H 1 4.4510 0.04 . 1 . . . A 3 GLY HA3 . 30193 1 20 . 1 1 3 3 GLY C C 13 175.1520 0.4 . 1 . . . A 3 GLY C . 30193 1 21 . 1 1 3 3 GLY CA C 13 50.3320 0.4 . 1 . . . A 3 GLY CA . 30193 1 22 . 1 1 3 3 GLY N N 15 110.0150 0.4 . 1 . . . A 3 GLY N . 30193 1 23 . 1 1 4 4 GLN H H 1 7.6040 0.04 . 1 . . . A 4 GLN H . 30193 1 24 . 1 1 4 4 GLN HA H 1 4.2600 0.04 . 1 . . . A 4 GLN HA . 30193 1 25 . 1 1 4 4 GLN HB2 H 1 2.3390 0.04 . 1 . . . A 4 GLN HB2 . 30193 1 26 . 1 1 4 4 GLN HB3 H 1 2.3720 0.04 . 1 . . . A 4 GLN HB3 . 30193 1 27 . 1 1 4 4 GLN HG2 H 1 2.6240 0.04 . 1 . . . A 4 GLN HG2 . 30193 1 28 . 1 1 4 4 GLN HG3 H 1 2.6450 0.04 . 1 . . . A 4 GLN HG3 . 30193 1 29 . 1 1 4 4 GLN C C 13 178.4660 0.4 . 1 . . . A 4 GLN C . 30193 1 30 . 1 1 4 4 GLN CA C 13 59.9570 0.4 . 1 . . . A 4 GLN CA . 30193 1 31 . 1 1 4 4 GLN CB C 13 29.6360 0.4 . 1 . . . A 4 GLN CB . 30193 1 32 . 1 1 4 4 GLN CG C 13 35.4620 0.4 . 1 . . . A 4 GLN CG . 30193 1 33 . 1 1 4 4 GLN N N 15 119.0990 0.4 . 1 . . . A 4 GLN N . 30193 1 34 . 1 1 5 5 ARG H H 1 7.7690 0.04 . 1 . . . A 5 ARG H . 30193 1 35 . 1 1 5 5 ARG HA H 1 4.2520 0.04 . 1 . . . A 5 ARG HA . 30193 1 36 . 1 1 5 5 ARG HB2 H 1 1.9710 0.04 . 1 . . . A 5 ARG HB2 . 30193 1 37 . 1 1 5 5 ARG HB3 H 1 2.3580 0.04 . 1 . . . A 5 ARG HB3 . 30193 1 38 . 1 1 5 5 ARG HG2 H 1 1.8940 0.04 . 1 . . . A 5 ARG HG2 . 30193 1 39 . 1 1 5 5 ARG HG3 H 1 2.0530 0.04 . 1 . . . A 5 ARG HG3 . 30193 1 40 . 1 1 5 5 ARG HD2 H 1 3.4290 0.04 . 1 . . . A 5 ARG HD2 . 30193 1 41 . 1 1 5 5 ARG HD3 H 1 3.4940 0.04 . 1 . . . A 5 ARG HD3 . 30193 1 42 . 1 1 5 5 ARG C C 13 177.7280 0.4 . 1 . . . A 5 ARG C . 30193 1 43 . 1 1 5 5 ARG CA C 13 60.3130 0.4 . 1 . . . A 5 ARG CA . 30193 1 44 . 1 1 5 5 ARG CB C 13 31.5660 0.4 . 1 . . . A 5 ARG CB . 30193 1 45 . 1 1 5 5 ARG CG C 13 29.4220 0.4 . 1 . . . A 5 ARG CG . 30193 1 46 . 1 1 5 5 ARG CD C 13 44.6510 0.4 . 1 . . . A 5 ARG CD . 30193 1 47 . 1 1 5 5 ARG N N 15 120.3390 0.4 . 1 . . . A 5 ARG N . 30193 1 48 . 1 1 6 6 ILE H H 1 8.3990 0.04 . 1 . . . A 6 ILE H . 30193 1 49 . 1 1 6 6 ILE HA H 1 3.6050 0.04 . 1 . . . A 6 ILE HA . 30193 1 50 . 1 1 6 6 ILE HB H 1 2.0720 0.04 . 1 . . . A 6 ILE HB . 30193 1 51 . 1 1 6 6 ILE HG12 H 1 1.0440 0.04 . 1 . . . A 6 ILE HG12 . 30193 1 52 . 1 1 6 6 ILE HG13 H 1 2.0640 0.04 . 1 . . . A 6 ILE HG13 . 30193 1 53 . 1 1 6 6 ILE HG21 H 1 1.1240 0.04 . 1 . . . A 6 ILE HG21 . 30193 1 54 . 1 1 6 6 ILE HG22 H 1 1.1240 0.04 . 1 . . . A 6 ILE HG22 . 30193 1 55 . 1 1 6 6 ILE HG23 H 1 1.1240 0.04 . 1 . . . A 6 ILE HG23 . 30193 1 56 . 1 1 6 6 ILE HD11 H 1 1.0400 0.04 . 1 . . . A 6 ILE HD11 . 30193 1 57 . 1 1 6 6 ILE HD12 H 1 1.0400 0.04 . 1 . . . A 6 ILE HD12 . 30193 1 58 . 1 1 6 6 ILE HD13 H 1 1.0400 0.04 . 1 . . . A 6 ILE HD13 . 30193 1 59 . 1 1 6 6 ILE C C 13 176.2590 0.4 . 1 . . . A 6 ILE C . 30193 1 60 . 1 1 6 6 ILE CA C 13 68.1530 0.4 . 1 . . . A 6 ILE CA . 30193 1 61 . 1 1 6 6 ILE CB C 13 39.2390 0.4 . 1 . . . A 6 ILE CB . 30193 1 62 . 1 1 6 6 ILE CG1 C 13 31.7340 0.4 . 1 . . . A 6 ILE CG1 . 30193 1 63 . 1 1 6 6 ILE CG2 C 13 17.8910 0.4 . 1 . . . A 6 ILE CG2 . 30193 1 64 . 1 1 6 6 ILE CD1 C 13 15.2890 0.4 . 1 . . . A 6 ILE CD1 . 30193 1 65 . 1 1 6 6 ILE N N 15 119.4690 0.4 . 1 . . . A 6 ILE N . 30193 1 66 . 1 1 7 7 LYS H H 1 7.9650 0.04 . 1 . . . A 7 LYS H . 30193 1 67 . 1 1 7 7 LYS HA H 1 4.0950 0.04 . 1 . . . A 7 LYS HA . 30193 1 68 . 1 1 7 7 LYS HB3 H 1 1.9810 0.04 . 1 . . . A 7 LYS HB3 . 30193 1 69 . 1 1 7 7 LYS HG2 H 1 1.4530 0.04 . 1 . . . A 7 LYS HG2 . 30193 1 70 . 1 1 7 7 LYS HG3 H 1 1.6400 0.04 . 1 . . . A 7 LYS HG3 . 30193 1 71 . 1 1 7 7 LYS HD3 H 1 1.8400 0.04 . 1 . . . A 7 LYS HD3 . 30193 1 72 . 1 1 7 7 LYS HE3 H 1 3.0800 0.04 . 1 . . . A 7 LYS HE3 . 30193 1 73 . 1 1 7 7 LYS C C 13 176.6710 0.4 . 1 . . . A 7 LYS C . 30193 1 74 . 1 1 7 7 LYS CA C 13 61.7370 0.4 . 1 . . . A 7 LYS CA . 30193 1 75 . 1 1 7 7 LYS CB C 13 34.4120 0.4 . 1 . . . A 7 LYS CB . 30193 1 76 . 1 1 7 7 LYS CG C 13 26.5020 0.4 . 1 . . . A 7 LYS CG . 30193 1 77 . 1 1 7 7 LYS CD C 13 31.4830 0.4 . 1 . . . A 7 LYS CD . 30193 1 78 . 1 1 7 7 LYS CE C 13 43.3660 0.4 . 1 . . . A 7 LYS CE . 30193 1 79 . 1 1 7 7 LYS N N 15 119.7870 0.4 . 1 . . . A 7 LYS N . 30193 1 80 . 1 1 8 8 GLN H H 1 8.0520 0.04 . 1 . . . A 8 GLN H . 30193 1 81 . 1 1 8 8 GLN HA H 1 4.0480 0.04 . 1 . . . A 8 GLN HA . 30193 1 82 . 1 1 8 8 GLN HB2 H 1 2.0590 0.04 . 1 . . . A 8 GLN HB2 . 30193 1 83 . 1 1 8 8 GLN HB3 H 1 2.2590 0.04 . 1 . . . A 8 GLN HB3 . 30193 1 84 . 1 1 8 8 GLN HG2 H 1 2.0510 0.04 . 1 . . . A 8 GLN HG2 . 30193 1 85 . 1 1 8 8 GLN HG3 H 1 2.3510 0.04 . 1 . . . A 8 GLN HG3 . 30193 1 86 . 1 1 8 8 GLN C C 13 179.0180 0.4 . 1 . . . A 8 GLN C . 30193 1 87 . 1 1 8 8 GLN CA C 13 60.3360 0.4 . 1 . . . A 8 GLN CA . 30193 1 88 . 1 1 8 8 GLN CB C 13 29.3570 0.4 . 1 . . . A 8 GLN CB . 30193 1 89 . 1 1 8 8 GLN CG C 13 33.9990 0.4 . 1 . . . A 8 GLN CG . 30193 1 90 . 1 1 8 8 GLN N N 15 118.4940 0.4 . 1 . . . A 8 GLN N . 30193 1 91 . 1 1 9 9 TYR H H 1 8.4130 0.04 . 1 . . . A 9 TYR H . 30193 1 92 . 1 1 9 9 TYR HA H 1 4.4690 0.04 . 1 . . . A 9 TYR HA . 30193 1 93 . 1 1 9 9 TYR HB2 H 1 2.9650 0.04 . 1 . . . A 9 TYR HB2 . 30193 1 94 . 1 1 9 9 TYR HB3 H 1 3.2040 0.04 . 1 . . . A 9 TYR HB3 . 30193 1 95 . 1 1 9 9 TYR HD1 H 1 7.2980 0.04 . 3 . . . A 9 TYR HD1 . 30193 1 96 . 1 1 9 9 TYR HD2 H 1 7.2980 0.04 . 3 . . . A 9 TYR HD2 . 30193 1 97 . 1 1 9 9 TYR HE1 H 1 6.8220 0.04 . 3 . . . A 9 TYR HE1 . 30193 1 98 . 1 1 9 9 TYR HE2 H 1 6.8220 0.04 . 3 . . . A 9 TYR HE2 . 30193 1 99 . 1 1 9 9 TYR C C 13 178.2290 0.4 . 1 . . . A 9 TYR C . 30193 1 100 . 1 1 9 9 TYR CA C 13 63.4790 0.4 . 1 . . . A 9 TYR CA . 30193 1 101 . 1 1 9 9 TYR CB C 13 39.5620 0.4 . 1 . . . A 9 TYR CB . 30193 1 102 . 1 1 9 9 TYR CD1 C 13 134.3980 0.4 . 1 . . . A 9 TYR CD1 . 30193 1 103 . 1 1 9 9 TYR CD2 C 13 134.3980 0.4 . 1 . . . A 9 TYR CD2 . 30193 1 104 . 1 1 9 9 TYR CE1 C 13 119.3360 0.4 . 1 . . . A 9 TYR CE1 . 30193 1 105 . 1 1 9 9 TYR CE2 C 13 119.3360 0.4 . 1 . . . A 9 TYR CE2 . 30193 1 106 . 1 1 9 9 TYR N N 15 118.5980 0.4 . 1 . . . A 9 TYR N . 30193 1 107 . 1 1 10 10 ARG H H 1 9.3240 0.04 . 1 . . . A 10 ARG H . 30193 1 108 . 1 1 10 10 ARG HA H 1 4.1390 0.04 . 1 . . . A 10 ARG HA . 30193 1 109 . 1 1 10 10 ARG HB2 H 1 2.2100 0.04 . 1 . . . A 10 ARG HB2 . 30193 1 110 . 1 1 10 10 ARG HB3 H 1 2.3730 0.04 . 1 . . . A 10 ARG HB3 . 30193 1 111 . 1 1 10 10 ARG HG2 H 1 1.6280 0.04 . 1 . . . A 10 ARG HG2 . 30193 1 112 . 1 1 10 10 ARG HG3 H 1 1.9360 0.04 . 1 . . . A 10 ARG HG3 . 30193 1 113 . 1 1 10 10 ARG HD2 H 1 3.0580 0.04 . 1 . . . A 10 ARG HD2 . 30193 1 114 . 1 1 10 10 ARG HD3 H 1 3.0900 0.04 . 1 . . . A 10 ARG HD3 . 30193 1 115 . 1 1 10 10 ARG C C 13 178.2390 0.4 . 1 . . . A 10 ARG C . 30193 1 116 . 1 1 10 10 ARG CA C 13 62.2240 0.4 . 1 . . . A 10 ARG CA . 30193 1 117 . 1 1 10 10 ARG CB C 13 30.5180 0.4 . 1 . . . A 10 ARG CB . 30193 1 118 . 1 1 10 10 ARG CG C 13 30.3920 0.4 . 1 . . . A 10 ARG CG . 30193 1 119 . 1 1 10 10 ARG CD C 13 43.5770 0.4 . 1 . . . A 10 ARG CD . 30193 1 120 . 1 1 10 10 ARG N N 15 122.6610 0.4 . 1 . . . A 10 ARG N . 30193 1 121 . 1 1 11 11 LYS H H 1 8.4680 0.04 . 1 . . . A 11 LYS H . 30193 1 122 . 1 1 11 11 LYS HA H 1 4.2510 0.04 . 1 . . . A 11 LYS HA . 30193 1 123 . 1 1 11 11 LYS HB2 H 1 2.0830 0.04 . 1 . . . A 11 LYS HB2 . 30193 1 124 . 1 1 11 11 LYS HB3 H 1 2.0520 0.04 . 1 . . . A 11 LYS HB3 . 30193 1 125 . 1 1 11 11 LYS HG2 H 1 1.5750 0.04 . 1 . . . A 11 LYS HG2 . 30193 1 126 . 1 1 11 11 LYS HG3 H 1 1.8640 0.04 . 1 . . . A 11 LYS HG3 . 30193 1 127 . 1 1 11 11 LYS HD2 H 1 1.5920 0.04 . 1 . . . A 11 LYS HD2 . 30193 1 128 . 1 1 11 11 LYS HD3 H 1 1.8550 0.04 . 1 . . . A 11 LYS HD3 . 30193 1 129 . 1 1 11 11 LYS HE3 H 1 3.1000 0.04 . 1 . . . A 11 LYS HE3 . 30193 1 130 . 1 1 11 11 LYS C C 13 180.3930 0.4 . 1 . . . A 11 LYS C . 30193 1 131 . 1 1 11 11 LYS CA C 13 60.8310 0.4 . 1 . . . A 11 LYS CA . 30193 1 132 . 1 1 11 11 LYS CB C 13 32.8310 0.4 . 1 . . . A 11 LYS CB . 30193 1 133 . 1 1 11 11 LYS CG C 13 27.0830 0.4 . 1 . . . A 11 LYS CG . 30193 1 134 . 1 1 11 11 LYS CD C 13 30.5410 0.4 . 1 . . . A 11 LYS CD . 30193 1 135 . 1 1 11 11 LYS CE C 13 43.0530 0.4 . 1 . . . A 11 LYS CE . 30193 1 136 . 1 1 11 11 LYS N N 15 120.5500 0.4 . 1 . . . A 11 LYS N . 30193 1 137 . 1 1 12 12 GLU H H 1 8.1770 0.04 . 1 . . . A 12 GLU H . 30193 1 138 . 1 1 12 12 GLU HA H 1 4.1430 0.04 . 1 . . . A 12 GLU HA . 30193 1 139 . 1 1 12 12 GLU HB3 H 1 2.3130 0.04 . 1 . . . A 12 GLU HB3 . 30193 1 140 . 1 1 12 12 GLU HG2 H 1 2.4110 0.04 . 1 . . . A 12 GLU HG2 . 30193 1 141 . 1 1 12 12 GLU HG3 H 1 2.6010 0.04 . 1 . . . A 12 GLU HG3 . 30193 1 142 . 1 1 12 12 GLU C C 13 178.3420 0.4 . 1 . . . A 12 GLU C . 30193 1 143 . 1 1 12 12 GLU CA C 13 60.6550 0.4 . 1 . . . A 12 GLU CA . 30193 1 144 . 1 1 12 12 GLU CB C 13 30.8000 0.4 . 1 . . . A 12 GLU CB . 30193 1 145 . 1 1 12 12 GLU CG C 13 37.5930 0.4 . 1 . . . A 12 GLU CG . 30193 1 146 . 1 1 12 12 GLU N N 15 121.2890 0.4 . 1 . . . A 12 GLU N . 30193 1 147 . 1 1 13 13 LYS H H 1 7.5730 0.04 . 1 . . . A 13 LYS H . 30193 1 148 . 1 1 13 13 LYS HA H 1 4.2550 0.04 . 1 . . . A 13 LYS HA . 30193 1 149 . 1 1 13 13 LYS HB2 H 1 1.4960 0.04 . 1 . . . A 13 LYS HB2 . 30193 1 150 . 1 1 13 13 LYS HB3 H 1 1.7500 0.04 . 1 . . . A 13 LYS HB3 . 30193 1 151 . 1 1 13 13 LYS HG2 H 1 1.5800 0.04 . 1 . . . A 13 LYS HG2 . 30193 1 152 . 1 1 13 13 LYS HG3 H 1 1.7170 0.04 . 1 . . . A 13 LYS HG3 . 30193 1 153 . 1 1 13 13 LYS HD2 H 1 1.7850 0.04 . 1 . . . A 13 LYS HD2 . 30193 1 154 . 1 1 13 13 LYS HD3 H 1 2.0030 0.04 . 1 . . . A 13 LYS HD3 . 30193 1 155 . 1 1 13 13 LYS HE2 H 1 3.1200 0.04 . 1 . . . A 13 LYS HE2 . 30193 1 156 . 1 1 13 13 LYS HE3 H 1 3.1830 0.04 . 1 . . . A 13 LYS HE3 . 30193 1 157 . 1 1 13 13 LYS C C 13 176.2250 0.4 . 1 . . . A 13 LYS C . 30193 1 158 . 1 1 13 13 LYS CA C 13 56.8300 0.4 . 1 . . . A 13 LYS CA . 30193 1 159 . 1 1 13 13 LYS CB C 13 34.1550 0.4 . 1 . . . A 13 LYS CB . 30193 1 160 . 1 1 13 13 LYS CG C 13 26.7540 0.4 . 1 . . . A 13 LYS CG . 30193 1 161 . 1 1 13 13 LYS CD C 13 29.7150 0.4 . 1 . . . A 13 LYS CD . 30193 1 162 . 1 1 13 13 LYS CE C 13 43.3180 0.4 . 1 . . . A 13 LYS CE . 30193 1 163 . 1 1 13 13 LYS N N 15 116.5180 0.4 . 1 . . . A 13 LYS N . 30193 1 164 . 1 1 14 14 GLY H H 1 7.8560 0.04 . 1 . . . A 14 GLY H . 30193 1 165 . 1 1 14 14 GLY HA2 H 1 3.8730 0.04 . 1 . . . A 14 GLY HA2 . 30193 1 166 . 1 1 14 14 GLY HA3 H 1 4.1270 0.04 . 1 . . . A 14 GLY HA3 . 30193 1 167 . 1 1 14 14 GLY C C 13 174.3630 0.4 . 1 . . . A 14 GLY C . 30193 1 168 . 1 1 14 14 GLY CA C 13 46.9610 0.4 . 1 . . . A 14 GLY CA . 30193 1 169 . 1 1 14 14 GLY N N 15 107.6310 0.4 . 1 . . . A 14 GLY N . 30193 1 170 . 1 1 15 15 TYR H H 1 7.5730 0.04 . 1 . . . A 15 TYR H . 30193 1 171 . 1 1 15 15 TYR HA H 1 5.3630 0.04 . 1 . . . A 15 TYR HA . 30193 1 172 . 1 1 15 15 TYR HB2 H 1 2.8300 0.04 . 1 . . . A 15 TYR HB2 . 30193 1 173 . 1 1 15 15 TYR HB3 H 1 3.3660 0.04 . 1 . . . A 15 TYR HB3 . 30193 1 174 . 1 1 15 15 TYR HD1 H 1 6.9930 0.04 . 3 . . . A 15 TYR HD1 . 30193 1 175 . 1 1 15 15 TYR HD2 H 1 6.9930 0.04 . 3 . . . A 15 TYR HD2 . 30193 1 176 . 1 1 15 15 TYR HE1 H 1 6.8850 0.04 . 3 . . . A 15 TYR HE1 . 30193 1 177 . 1 1 15 15 TYR HE2 H 1 6.8850 0.04 . 3 . . . A 15 TYR HE2 . 30193 1 178 . 1 1 15 15 TYR C C 13 177.0260 0.4 . 1 . . . A 15 TYR C . 30193 1 179 . 1 1 15 15 TYR CA C 13 56.2350 0.4 . 1 . . . A 15 TYR CA . 30193 1 180 . 1 1 15 15 TYR CB C 13 41.6400 0.4 . 1 . . . A 15 TYR CB . 30193 1 181 . 1 1 15 15 TYR CD1 C 13 132.6970 0.4 . 1 . . . A 15 TYR CD1 . 30193 1 182 . 1 1 15 15 TYR CD2 C 13 132.6970 0.4 . 1 . . . A 15 TYR CD2 . 30193 1 183 . 1 1 15 15 TYR CE1 C 13 121.2800 0.4 . 1 . . . A 15 TYR CE1 . 30193 1 184 . 1 1 15 15 TYR CE2 C 13 121.2800 0.4 . 1 . . . A 15 TYR CE2 . 30193 1 185 . 1 1 15 15 TYR N N 15 118.4400 0.4 . 1 . . . A 15 TYR N . 30193 1 186 . 1 1 16 16 SER H H 1 9.4420 0.04 . 1 . . . A 16 SER H . 30193 1 187 . 1 1 16 16 SER HA H 1 4.6700 0.04 . 1 . . . A 16 SER HA . 30193 1 188 . 1 1 16 16 SER HB2 H 1 4.6200 0.04 . 1 . . . A 16 SER HB2 . 30193 1 189 . 1 1 16 16 SER HB3 H 1 4.2200 0.04 . 1 . . . A 16 SER HB3 . 30193 1 190 . 1 1 16 16 SER C C 13 174.6250 0.4 . 1 . . . A 16 SER C . 30193 1 191 . 1 1 16 16 SER CA C 13 58.6540 0.4 . 1 . . . A 16 SER CA . 30193 1 192 . 1 1 16 16 SER CB C 13 66.5610 0.4 . 1 . . . A 16 SER CB . 30193 1 193 . 1 1 16 16 SER N N 15 121.4210 0.4 . 1 . . . A 16 SER N . 30193 1 194 . 1 1 17 17 LEU H H 1 9.0960 0.04 . 1 . . . A 17 LEU H . 30193 1 195 . 1 1 17 17 LEU HA H 1 3.9620 0.04 . 1 . . . A 17 LEU HA . 30193 1 196 . 1 1 17 17 LEU HB2 H 1 1.7190 0.04 . 1 . . . A 17 LEU HB2 . 30193 1 197 . 1 1 17 17 LEU HB3 H 1 1.9380 0.04 . 1 . . . A 17 LEU HB3 . 30193 1 198 . 1 1 17 17 LEU HG H 1 1.7080 0.04 . 1 . . . A 17 LEU HG . 30193 1 199 . 1 1 17 17 LEU HD11 H 1 1.0450 0.04 . 2 . . . A 17 LEU HD11 . 30193 1 200 . 1 1 17 17 LEU HD12 H 1 1.0450 0.04 . 2 . . . A 17 LEU HD12 . 30193 1 201 . 1 1 17 17 LEU HD13 H 1 1.0450 0.04 . 2 . . . A 17 LEU HD13 . 30193 1 202 . 1 1 17 17 LEU HD21 H 1 0.9990 0.04 . 2 . . . A 17 LEU HD21 . 30193 1 203 . 1 1 17 17 LEU HD22 H 1 0.9990 0.04 . 2 . . . A 17 LEU HD22 . 30193 1 204 . 1 1 17 17 LEU HD23 H 1 0.9990 0.04 . 2 . . . A 17 LEU HD23 . 30193 1 205 . 1 1 17 17 LEU C C 13 178.5650 0.4 . 1 . . . A 17 LEU C . 30193 1 206 . 1 1 17 17 LEU CA C 13 61.3850 0.4 . 1 . . . A 17 LEU CA . 30193 1 207 . 1 1 17 17 LEU CB C 13 44.0240 0.4 . 1 . . . A 17 LEU CB . 30193 1 208 . 1 1 17 17 LEU CG C 13 29.4320 0.4 . 1 . . . A 17 LEU CG . 30193 1 209 . 1 1 17 17 LEU CD1 C 13 26.8400 0.4 . 1 . . . A 17 LEU CD1 . 30193 1 210 . 1 1 17 17 LEU CD2 C 13 25.9660 0.4 . 1 . . . A 17 LEU CD2 . 30193 1 211 . 1 1 17 17 LEU N N 15 124.9270 0.4 . 1 . . . A 17 LEU N . 30193 1 212 . 1 1 18 18 SER H H 1 8.5390 0.04 . 1 . . . A 18 SER H . 30193 1 213 . 1 1 18 18 SER HA H 1 4.0750 0.04 . 1 . . . A 18 SER HA . 30193 1 214 . 1 1 18 18 SER HB3 H 1 4.0630 0.04 . 1 . . . A 18 SER HB3 . 30193 1 215 . 1 1 18 18 SER C C 13 176.4390 0.4 . 1 . . . A 18 SER C . 30193 1 216 . 1 1 18 18 SER CA C 13 63.2670 0.4 . 1 . . . A 18 SER CA . 30193 1 217 . 1 1 18 18 SER CB C 13 63.8700 0.4 . 1 . . . A 18 SER CB . 30193 1 218 . 1 1 18 18 SER N N 15 113.1780 0.4 . 1 . . . A 18 SER N . 30193 1 219 . 1 1 19 19 GLU H H 1 7.9890 0.04 . 1 . . . A 19 GLU H . 30193 1 220 . 1 1 19 19 GLU HA H 1 4.1830 0.04 . 1 . . . A 19 GLU HA . 30193 1 221 . 1 1 19 19 GLU HB2 H 1 2.3660 0.04 . 1 . . . A 19 GLU HB2 . 30193 1 222 . 1 1 19 19 GLU HB3 H 1 1.9090 0.04 . 1 . . . A 19 GLU HB3 . 30193 1 223 . 1 1 19 19 GLU HG2 H 1 2.2540 0.04 . 1 . . . A 19 GLU HG2 . 30193 1 224 . 1 1 19 19 GLU HG3 H 1 2.4100 0.04 . 1 . . . A 19 GLU HG3 . 30193 1 225 . 1 1 19 19 GLU C C 13 178.4900 0.4 . 1 . . . A 19 GLU C . 30193 1 226 . 1 1 19 19 GLU CA C 13 60.5060 0.4 . 1 . . . A 19 GLU CA . 30193 1 227 . 1 1 19 19 GLU CB C 13 31.6180 0.4 . 1 . . . A 19 GLU CB . 30193 1 228 . 1 1 19 19 GLU CG C 13 38.5810 0.4 . 1 . . . A 19 GLU CG . 30193 1 229 . 1 1 19 19 GLU N N 15 122.9220 0.4 . 1 . . . A 19 GLU N . 30193 1 230 . 1 1 20 20 LEU H H 1 8.3270 0.04 . 1 . . . A 20 LEU H . 30193 1 231 . 1 1 20 20 LEU HA H 1 3.9550 0.04 . 1 . . . A 20 LEU HA . 30193 1 232 . 1 1 20 20 LEU HB2 H 1 1.3190 0.04 . 1 . . . A 20 LEU HB2 . 30193 1 233 . 1 1 20 20 LEU HB3 H 1 2.0800 0.04 . 1 . . . A 20 LEU HB3 . 30193 1 234 . 1 1 20 20 LEU HG H 1 1.5860 0.04 . 1 . . . A 20 LEU HG . 30193 1 235 . 1 1 20 20 LEU HD11 H 1 1.0760 0.04 . 2 . . . A 20 LEU HD11 . 30193 1 236 . 1 1 20 20 LEU HD12 H 1 1.0760 0.04 . 2 . . . A 20 LEU HD12 . 30193 1 237 . 1 1 20 20 LEU HD13 H 1 1.0760 0.04 . 2 . . . A 20 LEU HD13 . 30193 1 238 . 1 1 20 20 LEU HD21 H 1 1.0400 0.04 . 2 . . . A 20 LEU HD21 . 30193 1 239 . 1 1 20 20 LEU HD22 H 1 1.0400 0.04 . 2 . . . A 20 LEU HD22 . 30193 1 240 . 1 1 20 20 LEU HD23 H 1 1.0400 0.04 . 2 . . . A 20 LEU HD23 . 30193 1 241 . 1 1 20 20 LEU C C 13 176.9520 0.4 . 1 . . . A 20 LEU C . 30193 1 242 . 1 1 20 20 LEU CA C 13 59.4430 0.4 . 1 . . . A 20 LEU CA . 30193 1 243 . 1 1 20 20 LEU CB C 13 41.9070 0.4 . 1 . . . A 20 LEU CB . 30193 1 244 . 1 1 20 20 LEU CG C 13 28.7470 0.4 . 1 . . . A 20 LEU CG . 30193 1 245 . 1 1 20 20 LEU CD1 C 13 28.7470 0.4 . 1 . . . A 20 LEU CD1 . 30193 1 246 . 1 1 20 20 LEU CD2 C 13 25.0780 0.4 . 1 . . . A 20 LEU CD2 . 30193 1 247 . 1 1 20 20 LEU N N 15 119.2070 0.4 . 1 . . . A 20 LEU N . 30193 1 248 . 1 1 21 21 ALA H H 1 8.2870 0.04 . 1 . . . A 21 ALA H . 30193 1 249 . 1 1 21 21 ALA HA H 1 3.9670 0.04 . 1 . . . A 21 ALA HA . 30193 1 250 . 1 1 21 21 ALA HB1 H 1 1.6500 0.04 . 1 . . . A 21 ALA HB1 . 30193 1 251 . 1 1 21 21 ALA HB2 H 1 1.6500 0.04 . 1 . . . A 21 ALA HB2 . 30193 1 252 . 1 1 21 21 ALA HB3 H 1 1.6500 0.04 . 1 . . . A 21 ALA HB3 . 30193 1 253 . 1 1 21 21 ALA C C 13 178.9170 0.4 . 1 . . . A 21 ALA C . 30193 1 254 . 1 1 21 21 ALA CA C 13 57.2260 0.4 . 1 . . . A 21 ALA CA . 30193 1 255 . 1 1 21 21 ALA CB C 13 18.5090 0.4 . 1 . . . A 21 ALA CB . 30193 1 256 . 1 1 21 21 ALA N N 15 120.6540 0.4 . 1 . . . A 21 ALA N . 30193 1 257 . 1 1 22 22 GLU H H 1 8.1700 0.04 . 1 . . . A 22 GLU H . 30193 1 258 . 1 1 22 22 GLU HA H 1 4.1950 0.04 . 1 . . . A 22 GLU HA . 30193 1 259 . 1 1 22 22 GLU HB2 H 1 2.2200 0.04 . 1 . . . A 22 GLU HB2 . 30193 1 260 . 1 1 22 22 GLU HB3 H 1 2.2770 0.04 . 1 . . . A 22 GLU HB3 . 30193 1 261 . 1 1 22 22 GLU HG2 H 1 2.3810 0.04 . 1 . . . A 22 GLU HG2 . 30193 1 262 . 1 1 22 22 GLU HG3 H 1 2.5100 0.04 . 1 . . . A 22 GLU HG3 . 30193 1 263 . 1 1 22 22 GLU C C 13 179.6960 0.4 . 1 . . . A 22 GLU C . 30193 1 264 . 1 1 22 22 GLU CA C 13 60.4870 0.4 . 1 . . . A 22 GLU CA . 30193 1 265 . 1 1 22 22 GLU CB C 13 31.1950 0.4 . 1 . . . A 22 GLU CB . 30193 1 266 . 1 1 22 22 GLU CG C 13 37.9380 0.4 . 1 . . . A 22 GLU CG . 30193 1 267 . 1 1 22 22 GLU N N 15 117.5190 0.4 . 1 . . . A 22 GLU N . 30193 1 268 . 1 1 23 23 LYS H H 1 8.3810 0.04 . 1 . . . A 23 LYS H . 30193 1 269 . 1 1 23 23 LYS HA H 1 4.1500 0.04 . 1 . . . A 23 LYS HA . 30193 1 270 . 1 1 23 23 LYS HB2 H 1 1.8460 0.04 . 1 . . . A 23 LYS HB2 . 30193 1 271 . 1 1 23 23 LYS HB3 H 1 1.8720 0.04 . 1 . . . A 23 LYS HB3 . 30193 1 272 . 1 1 23 23 LYS HG2 H 1 1.5850 0.04 . 1 . . . A 23 LYS HG2 . 30193 1 273 . 1 1 23 23 LYS HG3 H 1 1.7080 0.04 . 1 . . . A 23 LYS HG3 . 30193 1 274 . 1 1 23 23 LYS HD2 H 1 1.3120 0.04 . 1 . . . A 23 LYS HD2 . 30193 1 275 . 1 1 23 23 LYS HD3 H 1 1.5920 0.04 . 1 . . . A 23 LYS HD3 . 30193 1 276 . 1 1 23 23 LYS HE3 H 1 2.9700 0.04 . 1 . . . A 23 LYS HE3 . 30193 1 277 . 1 1 23 23 LYS C C 13 177.8680 0.4 . 1 . . . A 23 LYS C . 30193 1 278 . 1 1 23 23 LYS CA C 13 60.3760 0.4 . 1 . . . A 23 LYS CA . 30193 1 279 . 1 1 23 23 LYS CB C 13 34.6830 0.4 . 1 . . . A 23 LYS CB . 30193 1 280 . 1 1 23 23 LYS CG C 13 27.5760 0.4 . 1 . . . A 23 LYS CG . 30193 1 281 . 1 1 23 23 LYS CD C 13 30.3110 0.4 . 1 . . . A 23 LYS CD . 30193 1 282 . 1 1 23 23 LYS CE C 13 43.3180 0.4 . 1 . . . A 23 LYS CE . 30193 1 283 . 1 1 23 23 LYS N N 15 119.6120 0.4 . 1 . . . A 23 LYS N . 30193 1 284 . 1 1 24 24 ALA H H 1 8.5940 0.04 . 1 . . . A 24 ALA H . 30193 1 285 . 1 1 24 24 ALA HA H 1 4.2750 0.04 . 1 . . . A 24 ALA HA . 30193 1 286 . 1 1 24 24 ALA HB1 H 1 1.3430 0.04 . 1 . . . A 24 ALA HB1 . 30193 1 287 . 1 1 24 24 ALA HB2 H 1 1.3430 0.04 . 1 . . . A 24 ALA HB2 . 30193 1 288 . 1 1 24 24 ALA HB3 H 1 1.3430 0.04 . 1 . . . A 24 ALA HB3 . 30193 1 289 . 1 1 24 24 ALA C C 13 176.4870 0.4 . 1 . . . A 24 ALA C . 30193 1 290 . 1 1 24 24 ALA CA C 13 53.6450 0.4 . 1 . . . A 24 ALA CA . 30193 1 291 . 1 1 24 24 ALA CB C 13 20.5390 0.4 . 1 . . . A 24 ALA CB . 30193 1 292 . 1 1 24 24 ALA N N 15 118.7030 0.4 . 1 . . . A 24 ALA N . 30193 1 293 . 1 1 25 25 GLY H H 1 7.9540 0.04 . 1 . . . A 25 GLY H . 30193 1 294 . 1 1 25 25 GLY HA2 H 1 4.0580 0.04 . 1 . . . A 25 GLY HA2 . 30193 1 295 . 1 1 25 25 GLY HA3 H 1 4.0620 0.04 . 1 . . . A 25 GLY HA3 . 30193 1 296 . 1 1 25 25 GLY C C 13 175.1110 0.4 . 1 . . . A 25 GLY C . 30193 1 297 . 1 1 25 25 GLY CA C 13 48.0820 0.4 . 1 . . . A 25 GLY CA . 30193 1 298 . 1 1 25 25 GLY N N 15 108.3920 0.4 . 1 . . . A 25 GLY N . 30193 1 299 . 1 1 26 26 VAL H H 1 8.1970 0.04 . 1 . . . A 26 VAL H . 30193 1 300 . 1 1 26 26 VAL HA H 1 4.8820 0.04 . 1 . . . A 26 VAL HA . 30193 1 301 . 1 1 26 26 VAL HB H 1 2.5050 0.04 . 1 . . . A 26 VAL HB . 30193 1 302 . 1 1 26 26 VAL HG11 H 1 0.9320 0.04 . 2 . . . A 26 VAL HG11 . 30193 1 303 . 1 1 26 26 VAL HG12 H 1 0.9320 0.04 . 2 . . . A 26 VAL HG12 . 30193 1 304 . 1 1 26 26 VAL HG13 H 1 0.9320 0.04 . 2 . . . A 26 VAL HG13 . 30193 1 305 . 1 1 26 26 VAL HG21 H 1 0.9640 0.04 . 2 . . . A 26 VAL HG21 . 30193 1 306 . 1 1 26 26 VAL HG22 H 1 0.9640 0.04 . 2 . . . A 26 VAL HG22 . 30193 1 307 . 1 1 26 26 VAL HG23 H 1 0.9640 0.04 . 2 . . . A 26 VAL HG23 . 30193 1 308 . 1 1 26 26 VAL C C 13 173.9360 0.4 . 1 . . . A 26 VAL C . 30193 1 309 . 1 1 26 26 VAL CA C 13 59.4390 0.4 . 1 . . . A 26 VAL CA . 30193 1 310 . 1 1 26 26 VAL CB C 13 36.3930 0.4 . 1 . . . A 26 VAL CB . 30193 1 311 . 1 1 26 26 VAL CG1 C 13 19.9990 0.4 . 1 . . . A 26 VAL CG1 . 30193 1 312 . 1 1 26 26 VAL CG2 C 13 22.8780 0.4 . 1 . . . A 26 VAL CG2 . 30193 1 313 . 1 1 26 26 VAL N N 15 112.3760 0.4 . 1 . . . A 26 VAL N . 30193 1 314 . 1 1 27 27 ALA H H 1 8.6960 0.04 . 1 . . . A 27 ALA H . 30193 1 315 . 1 1 27 27 ALA HA H 1 4.5090 0.04 . 1 . . . A 27 ALA HA . 30193 1 316 . 1 1 27 27 ALA HB1 H 1 1.6500 0.04 . 1 . . . A 27 ALA HB1 . 30193 1 317 . 1 1 27 27 ALA HB2 H 1 1.6500 0.04 . 1 . . . A 27 ALA HB2 . 30193 1 318 . 1 1 27 27 ALA HB3 H 1 1.6500 0.04 . 1 . . . A 27 ALA HB3 . 30193 1 319 . 1 1 27 27 ALA C C 13 179.0790 0.4 . 1 . . . A 27 ALA C . 30193 1 320 . 1 1 27 27 ALA CA C 13 53.6190 0.4 . 1 . . . A 27 ALA CA . 30193 1 321 . 1 1 27 27 ALA CB C 13 20.0200 0.4 . 1 . . . A 27 ALA CB . 30193 1 322 . 1 1 27 27 ALA N N 15 124.4120 0.4 . 1 . . . A 27 ALA N . 30193 1 323 . 1 1 28 28 LYS H H 1 9.1430 0.04 . 1 . . . A 28 LYS H . 30193 1 324 . 1 1 28 28 LYS HA H 1 3.8450 0.04 . 1 . . . A 28 LYS HA . 30193 1 325 . 1 1 28 28 LYS HB3 H 1 1.9840 0.04 . 1 . . . A 28 LYS HB3 . 30193 1 326 . 1 1 28 28 LYS HG3 H 1 1.5020 0.04 . 1 . . . A 28 LYS HG3 . 30193 1 327 . 1 1 28 28 LYS HD3 H 1 1.8470 0.04 . 1 . . . A 28 LYS HD3 . 30193 1 328 . 1 1 28 28 LYS HE3 H 1 3.1150 0.04 . 1 . . . A 28 LYS HE3 . 30193 1 329 . 1 1 28 28 LYS C C 13 178.0580 0.4 . 1 . . . A 28 LYS C . 30193 1 330 . 1 1 28 28 LYS CA C 13 62.0300 0.4 . 1 . . . A 28 LYS CA . 30193 1 331 . 1 1 28 28 LYS CB C 13 33.4980 0.4 . 1 . . . A 28 LYS CB . 30193 1 332 . 1 1 28 28 LYS CG C 13 26.7950 0.4 . 1 . . . A 28 LYS CG . 30193 1 333 . 1 1 28 28 LYS CD C 13 31.0300 0.4 . 1 . . . A 28 LYS CD . 30193 1 334 . 1 1 28 28 LYS CE C 13 43.2020 0.4 . 1 . . . A 28 LYS CE . 30193 1 335 . 1 1 28 28 LYS N N 15 127.4060 0.4 . 1 . . . A 28 LYS N . 30193 1 336 . 1 1 29 29 SER H H 1 8.9310 0.04 . 1 . . . A 29 SER H . 30193 1 337 . 1 1 29 29 SER HA H 1 4.2850 0.04 . 1 . . . A 29 SER HA . 30193 1 338 . 1 1 29 29 SER HB3 H 1 4.0700 0.04 . 1 . . . A 29 SER HB3 . 30193 1 339 . 1 1 29 29 SER C C 13 176.4920 0.4 . 1 . . . A 29 SER C . 30193 1 340 . 1 1 29 29 SER CA C 13 62.3170 0.4 . 1 . . . A 29 SER CA . 30193 1 341 . 1 1 29 29 SER CB C 13 63.2040 0.4 . 1 . . . A 29 SER CB . 30193 1 342 . 1 1 29 29 SER N N 15 113.8290 0.4 . 1 . . . A 29 SER N . 30193 1 343 . 1 1 30 30 TYR H H 1 7.0780 0.04 . 1 . . . A 30 TYR H . 30193 1 344 . 1 1 30 30 TYR HA H 1 4.4450 0.04 . 1 . . . A 30 TYR HA . 30193 1 345 . 1 1 30 30 TYR HB2 H 1 3.1960 0.04 . 1 . . . A 30 TYR HB2 . 30193 1 346 . 1 1 30 30 TYR HB3 H 1 3.3180 0.04 . 1 . . . A 30 TYR HB3 . 30193 1 347 . 1 1 30 30 TYR HD1 H 1 6.9700 0.04 . 3 . . . A 30 TYR HD1 . 30193 1 348 . 1 1 30 30 TYR HD2 H 1 6.9700 0.04 . 3 . . . A 30 TYR HD2 . 30193 1 349 . 1 1 30 30 TYR HE1 H 1 6.2840 0.04 . 3 . . . A 30 TYR HE1 . 30193 1 350 . 1 1 30 30 TYR HE2 H 1 6.2840 0.04 . 3 . . . A 30 TYR HE2 . 30193 1 351 . 1 1 30 30 TYR C C 13 177.2750 0.4 . 1 . . . A 30 TYR C . 30193 1 352 . 1 1 30 30 TYR CA C 13 62.0570 0.4 . 1 . . . A 30 TYR CA . 30193 1 353 . 1 1 30 30 TYR CB C 13 40.3510 0.4 . 1 . . . A 30 TYR CB . 30193 1 354 . 1 1 30 30 TYR CD1 C 13 134.3980 0.4 . 1 . . . A 30 TYR CD1 . 30193 1 355 . 1 1 30 30 TYR CD2 C 13 134.3980 0.4 . 1 . . . A 30 TYR CD2 . 30193 1 356 . 1 1 30 30 TYR CE1 C 13 119.3360 0.4 . 1 . . . A 30 TYR CE1 . 30193 1 357 . 1 1 30 30 TYR CE2 C 13 119.3360 0.4 . 1 . . . A 30 TYR CE2 . 30193 1 358 . 1 1 30 30 TYR N N 15 125.1630 0.4 . 1 . . . A 30 TYR N . 30193 1 359 . 1 1 31 31 LEU H H 1 8.1850 0.04 . 1 . . . A 31 LEU H . 30193 1 360 . 1 1 31 31 LEU HA H 1 4.1580 0.04 . 1 . . . A 31 LEU HA . 30193 1 361 . 1 1 31 31 LEU HB2 H 1 2.1350 0.04 . 1 . . . A 31 LEU HB2 . 30193 1 362 . 1 1 31 31 LEU HB3 H 1 1.6880 0.04 . 1 . . . A 31 LEU HB3 . 30193 1 363 . 1 1 31 31 LEU HG H 1 1.8310 0.04 . 1 . . . A 31 LEU HG . 30193 1 364 . 1 1 31 31 LEU HD11 H 1 1.2430 0.04 . 2 . . . A 31 LEU HD11 . 30193 1 365 . 1 1 31 31 LEU HD12 H 1 1.2430 0.04 . 2 . . . A 31 LEU HD12 . 30193 1 366 . 1 1 31 31 LEU HD13 H 1 1.2430 0.04 . 2 . . . A 31 LEU HD13 . 30193 1 367 . 1 1 31 31 LEU HD21 H 1 1.1090 0.04 . 2 . . . A 31 LEU HD21 . 30193 1 368 . 1 1 31 31 LEU HD22 H 1 1.1090 0.04 . 2 . . . A 31 LEU HD22 . 30193 1 369 . 1 1 31 31 LEU HD23 H 1 1.1090 0.04 . 2 . . . A 31 LEU HD23 . 30193 1 370 . 1 1 31 31 LEU C C 13 177.6540 0.4 . 1 . . . A 31 LEU C . 30193 1 371 . 1 1 31 31 LEU CA C 13 59.7040 0.4 . 1 . . . A 31 LEU CA . 30193 1 372 . 1 1 31 31 LEU CB C 13 43.2020 0.4 . 1 . . . A 31 LEU CB . 30193 1 373 . 1 1 31 31 LEU CG C 13 28.6690 0.4 . 1 . . . A 31 LEU CG . 30193 1 374 . 1 1 31 31 LEU CD1 C 13 24.6820 0.4 . 1 . . . A 31 LEU CD1 . 30193 1 375 . 1 1 31 31 LEU CD2 C 13 29.1390 0.4 . 1 . . . A 31 LEU CD2 . 30193 1 376 . 1 1 31 31 LEU N N 15 120.4210 0.4 . 1 . . . A 31 LEU N . 30193 1 377 . 1 1 32 32 SER H H 1 8.8450 0.04 . 1 . . . A 32 SER H . 30193 1 378 . 1 1 32 32 SER HA H 1 4.1500 0.04 . 1 . . . A 32 SER HA . 30193 1 379 . 1 1 32 32 SER HB3 H 1 4.0820 0.04 . 1 . . . A 32 SER HB3 . 30193 1 380 . 1 1 32 32 SER C C 13 176.7030 0.4 . 1 . . . A 32 SER C . 30193 1 381 . 1 1 32 32 SER CA C 13 62.8000 0.4 . 1 . . . A 32 SER CA . 30193 1 382 . 1 1 32 32 SER CB C 13 64.0840 0.4 . 1 . . . A 32 SER CB . 30193 1 383 . 1 1 32 32 SER N N 15 112.8510 0.4 . 1 . . . A 32 SER N . 30193 1 384 . 1 1 33 33 SER H H 1 7.7850 0.04 . 1 . . . A 33 SER H . 30193 1 385 . 1 1 33 33 SER HA H 1 4.2000 0.04 . 1 . . . A 33 SER HA . 30193 1 386 . 1 1 33 33 SER HB2 H 1 3.9760 0.04 . 1 . . . A 33 SER HB2 . 30193 1 387 . 1 1 33 33 SER HB3 H 1 4.0920 0.04 . 1 . . . A 33 SER HB3 . 30193 1 388 . 1 1 33 33 SER C C 13 176.0160 0.4 . 1 . . . A 33 SER C . 30193 1 389 . 1 1 33 33 SER CA C 13 63.8870 0.4 . 1 . . . A 33 SER CA . 30193 1 390 . 1 1 33 33 SER CB C 13 63.5630 0.4 . 1 . . . A 33 SER CB . 30193 1 391 . 1 1 33 33 SER N N 15 116.2360 0.4 . 1 . . . A 33 SER N . 30193 1 392 . 1 1 34 34 ILE H H 1 7.9810 0.04 . 1 . . . A 34 ILE H . 30193 1 393 . 1 1 34 34 ILE HA H 1 4.1580 0.04 . 1 . . . A 34 ILE HA . 30193 1 394 . 1 1 34 34 ILE HB H 1 2.1960 0.04 . 1 . . . A 34 ILE HB . 30193 1 395 . 1 1 34 34 ILE HG12 H 1 0.8600 0.04 . 1 . . . A 34 ILE HG12 . 30193 1 396 . 1 1 34 34 ILE HG13 H 1 0.9840 0.04 . 1 . . . A 34 ILE HG13 . 30193 1 397 . 1 1 34 34 ILE HG21 H 1 0.9860 0.04 . 1 . . . A 34 ILE HG21 . 30193 1 398 . 1 1 34 34 ILE HG22 H 1 0.9860 0.04 . 1 . . . A 34 ILE HG22 . 30193 1 399 . 1 1 34 34 ILE HG23 H 1 0.9860 0.04 . 1 . . . A 34 ILE HG23 . 30193 1 400 . 1 1 34 34 ILE HD11 H 1 0.2380 0.04 . 1 . . . A 34 ILE HD11 . 30193 1 401 . 1 1 34 34 ILE HD12 H 1 0.2380 0.04 . 1 . . . A 34 ILE HD12 . 30193 1 402 . 1 1 34 34 ILE HD13 H 1 0.2380 0.04 . 1 . . . A 34 ILE HD13 . 30193 1 403 . 1 1 34 34 ILE C C 13 179.6040 0.4 . 1 . . . A 34 ILE C . 30193 1 404 . 1 1 34 34 ILE CA C 13 63.9740 0.4 . 1 . . . A 34 ILE CA . 30193 1 405 . 1 1 34 34 ILE CB C 13 37.6920 0.4 . 1 . . . A 34 ILE CB . 30193 1 406 . 1 1 34 34 ILE CG1 C 13 28.8040 0.4 . 1 . . . A 34 ILE CG1 . 30193 1 407 . 1 1 34 34 ILE CG2 C 13 18.7550 0.4 . 1 . . . A 34 ILE CG2 . 30193 1 408 . 1 1 34 34 ILE CD1 C 13 12.3030 0.4 . 1 . . . A 34 ILE CD1 . 30193 1 409 . 1 1 34 34 ILE N N 15 124.0180 0.4 . 1 . . . A 34 ILE N . 30193 1 410 . 1 1 35 35 GLU H H 1 8.5460 0.04 . 1 . . . A 35 GLU H . 30193 1 411 . 1 1 35 35 GLU HA H 1 4.0120 0.04 . 1 . . . A 35 GLU HA . 30193 1 412 . 1 1 35 35 GLU HB2 H 1 2.0970 0.04 . 1 . . . A 35 GLU HB2 . 30193 1 413 . 1 1 35 35 GLU HB3 H 1 2.2080 0.04 . 1 . . . A 35 GLU HB3 . 30193 1 414 . 1 1 35 35 GLU HG2 H 1 2.2240 0.04 . 1 . . . A 35 GLU HG2 . 30193 1 415 . 1 1 35 35 GLU HG3 H 1 2.6870 0.04 . 1 . . . A 35 GLU HG3 . 30193 1 416 . 1 1 35 35 GLU C C 13 177.6000 0.4 . 1 . . . A 35 GLU C . 30193 1 417 . 1 1 35 35 GLU CA C 13 62.2760 0.4 . 1 . . . A 35 GLU CA . 30193 1 418 . 1 1 35 35 GLU CB C 13 31.3440 0.4 . 1 . . . A 35 GLU CB . 30193 1 419 . 1 1 35 35 GLU CG C 13 38.6550 0.4 . 1 . . . A 35 GLU CG . 30193 1 420 . 1 1 35 35 GLU N N 15 121.5920 0.4 . 1 . . . A 35 GLU N . 30193 1 421 . 1 1 36 36 ARG H H 1 7.7690 0.04 . 1 . . . A 36 ARG H . 30193 1 422 . 1 1 36 36 ARG HA H 1 4.4040 0.04 . 1 . . . A 36 ARG HA . 30193 1 423 . 1 1 36 36 ARG HB2 H 1 1.7670 0.04 . 1 . . . A 36 ARG HB2 . 30193 1 424 . 1 1 36 36 ARG HB3 H 1 2.2180 0.04 . 1 . . . A 36 ARG HB3 . 30193 1 425 . 1 1 36 36 ARG HG2 H 1 1.7950 0.04 . 1 . . . A 36 ARG HG2 . 30193 1 426 . 1 1 36 36 ARG HG3 H 1 2.0220 0.04 . 1 . . . A 36 ARG HG3 . 30193 1 427 . 1 1 36 36 ARG HD3 H 1 3.2700 0.04 . 1 . . . A 36 ARG HD3 . 30193 1 428 . 1 1 36 36 ARG C C 13 175.1510 0.4 . 1 . . . A 36 ARG C . 30193 1 429 . 1 1 36 36 ARG CA C 13 57.4890 0.4 . 1 . . . A 36 ARG CA . 30193 1 430 . 1 1 36 36 ARG CB C 13 32.0050 0.4 . 1 . . . A 36 ARG CB . 30193 1 431 . 1 1 36 36 ARG CG C 13 30.1320 0.4 . 1 . . . A 36 ARG CG . 30193 1 432 . 1 1 36 36 ARG CD C 13 45.0500 0.4 . 1 . . . A 36 ARG CD . 30193 1 433 . 1 1 36 36 ARG N N 15 115.3550 0.4 . 1 . . . A 36 ARG N . 30193 1 434 . 1 1 37 37 ASN H H 1 8.2170 0.04 . 1 . . . A 37 ASN H . 30193 1 435 . 1 1 37 37 ASN HA H 1 4.5540 0.04 . 1 . . . A 37 ASN HA . 30193 1 436 . 1 1 37 37 ASN HB2 H 1 3.0800 0.04 . 1 . . . A 37 ASN HB2 . 30193 1 437 . 1 1 37 37 ASN HB3 H 1 3.1810 0.04 . 1 . . . A 37 ASN HB3 . 30193 1 438 . 1 1 37 37 ASN C C 13 174.0980 0.4 . 1 . . . A 37 ASN C . 30193 1 439 . 1 1 37 37 ASN CA C 13 55.9550 0.4 . 1 . . . A 37 ASN CA . 30193 1 440 . 1 1 37 37 ASN CB C 13 38.6270 0.4 . 1 . . . A 37 ASN CB . 30193 1 441 . 1 1 37 37 ASN N N 15 115.3810 0.4 . 1 . . . A 37 ASN N . 30193 1 442 . 1 1 38 38 LEU H H 1 8.3030 0.04 . 1 . . . A 38 LEU H . 30193 1 443 . 1 1 38 38 LEU HA H 1 4.4590 0.04 . 1 . . . A 38 LEU HA . 30193 1 444 . 1 1 38 38 LEU HB2 H 1 1.7230 0.04 . 1 . . . A 38 LEU HB2 . 30193 1 445 . 1 1 38 38 LEU HB3 H 1 1.8100 0.04 . 1 . . . A 38 LEU HB3 . 30193 1 446 . 1 1 38 38 LEU HG H 1 1.6780 0.04 . 1 . . . A 38 LEU HG . 30193 1 447 . 1 1 38 38 LEU HD11 H 1 1.0250 0.04 . 2 . . . A 38 LEU HD11 . 30193 1 448 . 1 1 38 38 LEU HD12 H 1 1.0250 0.04 . 2 . . . A 38 LEU HD12 . 30193 1 449 . 1 1 38 38 LEU HD13 H 1 1.0250 0.04 . 2 . . . A 38 LEU HD13 . 30193 1 450 . 1 1 38 38 LEU HD21 H 1 0.9690 0.04 . 2 . . . A 38 LEU HD21 . 30193 1 451 . 1 1 38 38 LEU HD22 H 1 0.9690 0.04 . 2 . . . A 38 LEU HD22 . 30193 1 452 . 1 1 38 38 LEU HD23 H 1 0.9690 0.04 . 2 . . . A 38 LEU HD23 . 30193 1 453 . 1 1 38 38 LEU C C 13 177.1640 0.4 . 1 . . . A 38 LEU C . 30193 1 454 . 1 1 38 38 LEU CA C 13 57.1320 0.4 . 1 . . . A 38 LEU CA . 30193 1 455 . 1 1 38 38 LEU CB C 13 43.3360 0.4 . 1 . . . A 38 LEU CB . 30193 1 456 . 1 1 38 38 LEU CG C 13 28.3490 0.4 . 1 . . . A 38 LEU CG . 30193 1 457 . 1 1 38 38 LEU CD1 C 13 26.4080 0.4 . 1 . . . A 38 LEU CD1 . 30193 1 458 . 1 1 38 38 LEU CD2 C 13 23.7650 0.4 . 1 . . . A 38 LEU CD2 . 30193 1 459 . 1 1 38 38 LEU N N 15 117.7010 0.4 . 1 . . . A 38 LEU N . 30193 1 460 . 1 1 39 39 GLN H H 1 7.2350 0.04 . 1 . . . A 39 GLN H . 30193 1 461 . 1 1 39 39 GLN HA H 1 4.6330 0.04 . 1 . . . A 39 GLN HA . 30193 1 462 . 1 1 39 39 GLN HB2 H 1 1.6800 0.04 . 1 . . . A 39 GLN HB2 . 30193 1 463 . 1 1 39 39 GLN HB3 H 1 1.9310 0.04 . 1 . . . A 39 GLN HB3 . 30193 1 464 . 1 1 39 39 GLN HG2 H 1 2.0720 0.04 . 1 . . . A 39 GLN HG2 . 30193 1 465 . 1 1 39 39 GLN HG3 H 1 2.2440 0.04 . 1 . . . A 39 GLN HG3 . 30193 1 466 . 1 1 39 39 GLN C C 13 174.9740 0.4 . 1 . . . A 39 GLN C . 30193 1 467 . 1 1 39 39 GLN CA C 13 55.7130 0.4 . 1 . . . A 39 GLN CA . 30193 1 468 . 1 1 39 39 GLN CB C 13 31.9220 0.4 . 1 . . . A 39 GLN CB . 30193 1 469 . 1 1 39 39 GLN CG C 13 35.5840 0.4 . 1 . . . A 39 GLN CG . 30193 1 470 . 1 1 39 39 GLN N N 15 118.6650 0.4 . 1 . . . A 39 GLN N . 30193 1 471 . 1 1 40 40 THR H H 1 8.4210 0.04 . 1 . . . A 40 THR H . 30193 1 472 . 1 1 40 40 THR HA H 1 4.5040 0.04 . 1 . . . A 40 THR HA . 30193 1 473 . 1 1 40 40 THR HB H 1 4.5160 0.04 . 1 . . . A 40 THR HB . 30193 1 474 . 1 1 40 40 THR HG21 H 1 1.2130 0.04 . 1 . . . A 40 THR HG21 . 30193 1 475 . 1 1 40 40 THR HG22 H 1 1.2130 0.04 . 1 . . . A 40 THR HG22 . 30193 1 476 . 1 1 40 40 THR HG23 H 1 1.2130 0.04 . 1 . . . A 40 THR HG23 . 30193 1 477 . 1 1 40 40 THR C C 13 173.4300 0.4 . 1 . . . A 40 THR C . 30193 1 478 . 1 1 40 40 THR CA C 13 62.4880 0.4 . 1 . . . A 40 THR CA . 30193 1 479 . 1 1 40 40 THR CB C 13 71.3210 0.4 . 1 . . . A 40 THR CB . 30193 1 480 . 1 1 40 40 THR CG2 C 13 22.6810 0.4 . 1 . . . A 40 THR CG2 . 30193 1 481 . 1 1 40 40 THR N N 15 114.3280 0.4 . 1 . . . A 40 THR N . 30193 1 482 . 1 1 41 41 ASN H H 1 8.7660 0.04 . 1 . . . A 41 ASN H . 30193 1 483 . 1 1 41 41 ASN HA H 1 5.2260 0.04 . 1 . . . A 41 ASN HA . 30193 1 484 . 1 1 41 41 ASN HB2 H 1 2.7690 0.04 . 1 . . . A 41 ASN HB2 . 30193 1 485 . 1 1 41 41 ASN HB3 H 1 2.9650 0.04 . 1 . . . A 41 ASN HB3 . 30193 1 486 . 1 1 41 41 ASN C C 13 171.5530 0.4 . 1 . . . A 41 ASN C . 30193 1 487 . 1 1 41 41 ASN CA C 13 53.1980 0.4 . 1 . . . A 41 ASN CA . 30193 1 488 . 1 1 41 41 ASN CB C 13 40.5650 0.4 . 1 . . . A 41 ASN CB . 30193 1 489 . 1 1 41 41 ASN N N 15 119.7590 0.4 . 1 . . . A 41 ASN N . 30193 1 490 . 1 1 42 42 PRO HA H 1 4.5990 0.04 . 1 . . . A 42 PRO HA . 30193 1 491 . 1 1 42 42 PRO HB2 H 1 2.0990 0.04 . 1 . . . A 42 PRO HB2 . 30193 1 492 . 1 1 42 42 PRO HB3 H 1 2.1320 0.04 . 1 . . . A 42 PRO HB3 . 30193 1 493 . 1 1 42 42 PRO HG2 H 1 1.9090 0.04 . 1 . . . A 42 PRO HG2 . 30193 1 494 . 1 1 42 42 PRO HG3 H 1 2.1650 0.04 . 1 . . . A 42 PRO HG3 . 30193 1 495 . 1 1 42 42 PRO HD2 H 1 3.4750 0.04 . 1 . . . A 42 PRO HD2 . 30193 1 496 . 1 1 42 42 PRO HD3 H 1 3.8620 0.04 . 1 . . . A 42 PRO HD3 . 30193 1 497 . 1 1 42 42 PRO C C 13 175.3270 0.4 . 1 . . . A 42 PRO C . 30193 1 498 . 1 1 42 42 PRO CA C 13 63.9250 0.4 . 1 . . . A 42 PRO CA . 30193 1 499 . 1 1 42 42 PRO CB C 13 34.1200 0.4 . 1 . . . A 42 PRO CB . 30193 1 500 . 1 1 42 42 PRO CG C 13 29.1390 0.4 . 1 . . . A 42 PRO CG . 30193 1 501 . 1 1 42 42 PRO CD C 13 51.6980 0.4 . 1 . . . A 42 PRO CD . 30193 1 502 . 1 1 43 43 SER H H 1 8.3190 0.04 . 1 . . . A 43 SER H . 30193 1 503 . 1 1 43 43 SER HA H 1 4.6000 0.04 . 1 . . . A 43 SER HA . 30193 1 504 . 1 1 43 43 SER HB2 H 1 4.2000 0.04 . 1 . . . A 43 SER HB2 . 30193 1 505 . 1 1 43 43 SER HB3 H 1 4.2380 0.04 . 1 . . . A 43 SER HB3 . 30193 1 506 . 1 1 43 43 SER C C 13 175.1500 0.4 . 1 . . . A 43 SER C . 30193 1 507 . 1 1 43 43 SER CA C 13 58.7960 0.4 . 1 . . . A 43 SER CA . 30193 1 508 . 1 1 43 43 SER CB C 13 66.0530 0.4 . 1 . . . A 43 SER CB . 30193 1 509 . 1 1 43 43 SER N N 15 116.3070 0.4 . 1 . . . A 43 SER N . 30193 1 510 . 1 1 44 44 ILE H H 1 8.8840 0.04 . 1 . . . A 44 ILE H . 30193 1 511 . 1 1 44 44 ILE HA H 1 4.1660 0.04 . 1 . . . A 44 ILE HA . 30193 1 512 . 1 1 44 44 ILE HB H 1 2.1000 0.04 . 1 . . . A 44 ILE HB . 30193 1 513 . 1 1 44 44 ILE HG12 H 1 1.6250 0.04 . 1 . . . A 44 ILE HG12 . 30193 1 514 . 1 1 44 44 ILE HG13 H 1 1.6550 0.04 . 1 . . . A 44 ILE HG13 . 30193 1 515 . 1 1 44 44 ILE HG21 H 1 1.1240 0.04 . 1 . . . A 44 ILE HG21 . 30193 1 516 . 1 1 44 44 ILE HG22 H 1 1.1240 0.04 . 1 . . . A 44 ILE HG22 . 30193 1 517 . 1 1 44 44 ILE HG23 H 1 1.1240 0.04 . 1 . . . A 44 ILE HG23 . 30193 1 518 . 1 1 44 44 ILE HD11 H 1 1.0630 0.04 . 1 . . . A 44 ILE HD11 . 30193 1 519 . 1 1 44 44 ILE HD12 H 1 1.0630 0.04 . 1 . . . A 44 ILE HD12 . 30193 1 520 . 1 1 44 44 ILE HD13 H 1 1.0630 0.04 . 1 . . . A 44 ILE HD13 . 30193 1 521 . 1 1 44 44 ILE C C 13 177.0640 0.4 . 1 . . . A 44 ILE C . 30193 1 522 . 1 1 44 44 ILE CA C 13 63.9720 0.4 . 1 . . . A 44 ILE CA . 30193 1 523 . 1 1 44 44 ILE CB C 13 38.8070 0.4 . 1 . . . A 44 ILE CB . 30193 1 524 . 1 1 44 44 ILE CG1 C 13 30.3110 0.4 . 1 . . . A 44 ILE CG1 . 30193 1 525 . 1 1 44 44 ILE CG2 C 13 19.7640 0.4 . 1 . . . A 44 ILE CG2 . 30193 1 526 . 1 1 44 44 ILE CD1 C 13 14.1980 0.4 . 1 . . . A 44 ILE CD1 . 30193 1 527 . 1 1 44 44 ILE N N 15 123.4230 0.4 . 1 . . . A 44 ILE N . 30193 1 528 . 1 1 45 45 GLN H H 1 8.4050 0.04 . 1 . . . A 45 GLN H . 30193 1 529 . 1 1 45 45 GLN HA H 1 4.2780 0.04 . 1 . . . A 45 GLN HA . 30193 1 530 . 1 1 45 45 GLN HB2 H 1 2.1430 0.04 . 1 . . . A 45 GLN HB2 . 30193 1 531 . 1 1 45 45 GLN HB3 H 1 2.2580 0.04 . 1 . . . A 45 GLN HB3 . 30193 1 532 . 1 1 45 45 GLN HG3 H 1 2.6110 0.04 . 1 . . . A 45 GLN HG3 . 30193 1 533 . 1 1 45 45 GLN C C 13 178.2670 0.4 . 1 . . . A 45 GLN C . 30193 1 534 . 1 1 45 45 GLN CA C 13 61.1110 0.4 . 1 . . . A 45 GLN CA . 30193 1 535 . 1 1 45 45 GLN CB C 13 29.3740 0.4 . 1 . . . A 45 GLN CB . 30193 1 536 . 1 1 45 45 GLN CG C 13 35.9970 0.4 . 1 . . . A 45 GLN CG . 30193 1 537 . 1 1 45 45 GLN N N 15 120.8920 0.4 . 1 . . . A 45 GLN N . 30193 1 538 . 1 1 46 46 PHE H H 1 7.9180 0.04 . 1 . . . A 46 PHE H . 30193 1 539 . 1 1 46 46 PHE HA H 1 4.2860 0.04 . 1 . . . A 46 PHE HA . 30193 1 540 . 1 1 46 46 PHE HB2 H 1 3.4800 0.04 . 1 . . . A 46 PHE HB2 . 30193 1 541 . 1 1 46 46 PHE HB3 H 1 3.5950 0.04 . 1 . . . A 46 PHE HB3 . 30193 1 542 . 1 1 46 46 PHE HD1 H 1 7.4200 0.04 . 3 . . . A 46 PHE HD1 . 30193 1 543 . 1 1 46 46 PHE HD2 H 1 7.4200 0.04 . 3 . . . A 46 PHE HD2 . 30193 1 544 . 1 1 46 46 PHE HE1 H 1 7.2360 0.04 . 3 . . . A 46 PHE HE1 . 30193 1 545 . 1 1 46 46 PHE HE2 H 1 7.2360 0.04 . 3 . . . A 46 PHE HE2 . 30193 1 546 . 1 1 46 46 PHE C C 13 176.4660 0.4 . 1 . . . A 46 PHE C . 30193 1 547 . 1 1 46 46 PHE CA C 13 62.5930 0.4 . 1 . . . A 46 PHE CA . 30193 1 548 . 1 1 46 46 PHE CB C 13 40.1450 0.4 . 1 . . . A 46 PHE CB . 30193 1 549 . 1 1 46 46 PHE CD1 C 13 134.3980 0.4 . 1 . . . A 46 PHE CD1 . 30193 1 550 . 1 1 46 46 PHE CD2 C 13 134.3980 0.4 . 1 . . . A 46 PHE CD2 . 30193 1 551 . 1 1 46 46 PHE CE1 C 13 131.8980 0.4 . 1 . . . A 46 PHE CE1 . 30193 1 552 . 1 1 46 46 PHE CE2 C 13 131.8980 0.4 . 1 . . . A 46 PHE CE2 . 30193 1 553 . 1 1 46 46 PHE N N 15 121.2060 0.4 . 1 . . . A 46 PHE N . 30193 1 554 . 1 1 47 47 LEU H H 1 8.1940 0.04 . 1 . . . A 47 LEU H . 30193 1 555 . 1 1 47 47 LEU HA H 1 3.8650 0.04 . 1 . . . A 47 LEU HA . 30193 1 556 . 1 1 47 47 LEU HB2 H 1 1.4520 0.04 . 1 . . . A 47 LEU HB2 . 30193 1 557 . 1 1 47 47 LEU HB3 H 1 2.2920 0.04 . 1 . . . A 47 LEU HB3 . 30193 1 558 . 1 1 47 47 LEU HG H 1 2.1830 0.04 . 1 . . . A 47 LEU HG . 30193 1 559 . 1 1 47 47 LEU HD11 H 1 1.0630 0.04 . 2 . . . A 47 LEU HD11 . 30193 1 560 . 1 1 47 47 LEU HD12 H 1 1.0630 0.04 . 2 . . . A 47 LEU HD12 . 30193 1 561 . 1 1 47 47 LEU HD13 H 1 1.0630 0.04 . 2 . . . A 47 LEU HD13 . 30193 1 562 . 1 1 47 47 LEU HD21 H 1 1.0380 0.04 . 2 . . . A 47 LEU HD21 . 30193 1 563 . 1 1 47 47 LEU HD22 H 1 1.0380 0.04 . 2 . . . A 47 LEU HD22 . 30193 1 564 . 1 1 47 47 LEU HD23 H 1 1.0380 0.04 . 2 . . . A 47 LEU HD23 . 30193 1 565 . 1 1 47 47 LEU C C 13 179.5040 0.4 . 1 . . . A 47 LEU C . 30193 1 566 . 1 1 47 47 LEU CA C 13 59.3610 0.4 . 1 . . . A 47 LEU CA . 30193 1 567 . 1 1 47 47 LEU CB C 13 43.4940 0.4 . 1 . . . A 47 LEU CB . 30193 1 568 . 1 1 47 47 LEU CG C 13 28.5530 0.4 . 1 . . . A 47 LEU CG . 30193 1 569 . 1 1 47 47 LEU CD1 C 13 27.9670 0.4 . 1 . . . A 47 LEU CD1 . 30193 1 570 . 1 1 47 47 LEU CD2 C 13 24.7450 0.4 . 1 . . . A 47 LEU CD2 . 30193 1 571 . 1 1 47 47 LEU N N 15 119.3900 0.4 . 1 . . . A 47 LEU N . 30193 1 572 . 1 1 48 48 GLU H H 1 9.1510 0.04 . 1 . . . A 48 GLU H . 30193 1 573 . 1 1 48 48 GLU HA H 1 3.8930 0.04 . 1 . . . A 48 GLU HA . 30193 1 574 . 1 1 48 48 GLU HB2 H 1 2.1250 0.04 . 1 . . . A 48 GLU HB2 . 30193 1 575 . 1 1 48 48 GLU HB3 H 1 2.3660 0.04 . 1 . . . A 48 GLU HB3 . 30193 1 576 . 1 1 48 48 GLU HG2 H 1 2.3190 0.04 . 1 . . . A 48 GLU HG2 . 30193 1 577 . 1 1 48 48 GLU HG3 H 1 2.6470 0.04 . 1 . . . A 48 GLU HG3 . 30193 1 578 . 1 1 48 48 GLU C C 13 179.1120 0.4 . 1 . . . A 48 GLU C . 30193 1 579 . 1 1 48 48 GLU CA C 13 61.2950 0.4 . 1 . . . A 48 GLU CA . 30193 1 580 . 1 1 48 48 GLU CB C 13 31.1900 0.4 . 1 . . . A 48 GLU CB . 30193 1 581 . 1 1 48 48 GLU CG C 13 38.4480 0.4 . 1 . . . A 48 GLU CG . 30193 1 582 . 1 1 48 48 GLU N N 15 121.8980 0.4 . 1 . . . A 48 GLU N . 30193 1 583 . 1 1 49 49 LYS H H 1 7.8320 0.04 . 1 . . . A 49 LYS H . 30193 1 584 . 1 1 49 49 LYS HA H 1 4.1900 0.04 . 1 . . . A 49 LYS HA . 30193 1 585 . 1 1 49 49 LYS HB2 H 1 1.9050 0.04 . 1 . . . A 49 LYS HB2 . 30193 1 586 . 1 1 49 49 LYS HB3 H 1 2.1400 0.04 . 1 . . . A 49 LYS HB3 . 30193 1 587 . 1 1 49 49 LYS HG2 H 1 1.6350 0.04 . 1 . . . A 49 LYS HG2 . 30193 1 588 . 1 1 49 49 LYS HG3 H 1 1.8430 0.04 . 1 . . . A 49 LYS HG3 . 30193 1 589 . 1 1 49 49 LYS HD3 H 1 1.7500 0.04 . 1 . . . A 49 LYS HD3 . 30193 1 590 . 1 1 49 49 LYS HE2 H 1 3.0580 0.04 . 1 . . . A 49 LYS HE2 . 30193 1 591 . 1 1 49 49 LYS HE3 H 1 3.0960 0.04 . 1 . . . A 49 LYS HE3 . 30193 1 592 . 1 1 49 49 LYS C C 13 179.2590 0.4 . 1 . . . A 49 LYS C . 30193 1 593 . 1 1 49 49 LYS CA C 13 60.7870 0.4 . 1 . . . A 49 LYS CA . 30193 1 594 . 1 1 49 49 LYS CB C 13 33.8270 0.4 . 1 . . . A 49 LYS CB . 30193 1 595 . 1 1 49 49 LYS CG C 13 27.2480 0.4 . 1 . . . A 49 LYS CG . 30193 1 596 . 1 1 49 49 LYS CD C 13 30.2740 0.4 . 1 . . . A 49 LYS CD . 30193 1 597 . 1 1 49 49 LYS CE C 13 43.5880 0.4 . 1 . . . A 49 LYS CE . 30193 1 598 . 1 1 49 49 LYS N N 15 120.5250 0.4 . 1 . . . A 49 LYS N . 30193 1 599 . 1 1 50 50 VAL H H 1 8.0120 0.04 . 1 . . . A 50 VAL H . 30193 1 600 . 1 1 50 50 VAL HA H 1 3.6080 0.04 . 1 . . . A 50 VAL HA . 30193 1 601 . 1 1 50 50 VAL HB H 1 1.7900 0.04 . 1 . . . A 50 VAL HB . 30193 1 602 . 1 1 50 50 VAL HG11 H 1 0.5810 0.04 . 2 . . . A 50 VAL HG11 . 30193 1 603 . 1 1 50 50 VAL HG12 H 1 0.5810 0.04 . 2 . . . A 50 VAL HG12 . 30193 1 604 . 1 1 50 50 VAL HG13 H 1 0.5810 0.04 . 2 . . . A 50 VAL HG13 . 30193 1 605 . 1 1 50 50 VAL HG21 H 1 0.7570 0.04 . 2 . . . A 50 VAL HG21 . 30193 1 606 . 1 1 50 50 VAL HG22 H 1 0.7570 0.04 . 2 . . . A 50 VAL HG22 . 30193 1 607 . 1 1 50 50 VAL HG23 H 1 0.7570 0.04 . 2 . . . A 50 VAL HG23 . 30193 1 608 . 1 1 50 50 VAL C C 13 177.3780 0.4 . 1 . . . A 50 VAL C . 30193 1 609 . 1 1 50 50 VAL CA C 13 67.5180 0.4 . 1 . . . A 50 VAL CA . 30193 1 610 . 1 1 50 50 VAL CB C 13 33.2410 0.4 . 1 . . . A 50 VAL CB . 30193 1 611 . 1 1 50 50 VAL CG1 C 13 23.8660 0.4 . 1 . . . A 50 VAL CG1 . 30193 1 612 . 1 1 50 50 VAL CG2 C 13 23.4840 0.4 . 1 . . . A 50 VAL CG2 . 30193 1 613 . 1 1 50 50 VAL N N 15 116.4300 0.4 . 1 . . . A 50 VAL N . 30193 1 614 . 1 1 51 51 SER H H 1 8.4440 0.04 . 1 . . . A 51 SER H . 30193 1 615 . 1 1 51 51 SER HA H 1 4.0970 0.04 . 1 . . . A 51 SER HA . 30193 1 616 . 1 1 51 51 SER HB2 H 1 3.8620 0.04 . 1 . . . A 51 SER HB2 . 30193 1 617 . 1 1 51 51 SER HB3 H 1 3.9700 0.04 . 1 . . . A 51 SER HB3 . 30193 1 618 . 1 1 51 51 SER C C 13 175.8150 0.4 . 1 . . . A 51 SER C . 30193 1 619 . 1 1 51 51 SER CA C 13 63.5960 0.4 . 1 . . . A 51 SER CA . 30193 1 620 . 1 1 51 51 SER CB C 13 63.7820 0.4 . 1 . . . A 51 SER CB . 30193 1 621 . 1 1 51 51 SER N N 15 117.2020 0.4 . 1 . . . A 51 SER N . 30193 1 622 . 1 1 52 52 ALA H H 1 7.4230 0.04 . 1 . . . A 52 ALA H . 30193 1 623 . 1 1 52 52 ALA HA H 1 4.3490 0.04 . 1 . . . A 52 ALA HA . 30193 1 624 . 1 1 52 52 ALA HB1 H 1 1.6520 0.04 . 1 . . . A 52 ALA HB1 . 30193 1 625 . 1 1 52 52 ALA HB2 H 1 1.6520 0.04 . 1 . . . A 52 ALA HB2 . 30193 1 626 . 1 1 52 52 ALA HB3 H 1 1.6520 0.04 . 1 . . . A 52 ALA HB3 . 30193 1 627 . 1 1 52 52 ALA C C 13 180.1800 0.4 . 1 . . . A 52 ALA C . 30193 1 628 . 1 1 52 52 ALA CA C 13 56.3850 0.4 . 1 . . . A 52 ALA CA . 30193 1 629 . 1 1 52 52 ALA CB C 13 19.4630 0.4 . 1 . . . A 52 ALA CB . 30193 1 630 . 1 1 52 52 ALA N N 15 122.2380 0.4 . 1 . . . A 52 ALA N . 30193 1 631 . 1 1 53 53 VAL H H 1 7.2510 0.04 . 1 . . . A 53 VAL H . 30193 1 632 . 1 1 53 53 VAL HA H 1 4.0540 0.04 . 1 . . . A 53 VAL HA . 30193 1 633 . 1 1 53 53 VAL HB H 1 2.1180 0.04 . 1 . . . A 53 VAL HB . 30193 1 634 . 1 1 53 53 VAL HG11 H 1 0.9680 0.04 . 2 . . . A 53 VAL HG11 . 30193 1 635 . 1 1 53 53 VAL HG12 H 1 0.9680 0.04 . 2 . . . A 53 VAL HG12 . 30193 1 636 . 1 1 53 53 VAL HG13 H 1 0.9680 0.04 . 2 . . . A 53 VAL HG13 . 30193 1 637 . 1 1 53 53 VAL HG21 H 1 1.0800 0.04 . 2 . . . A 53 VAL HG21 . 30193 1 638 . 1 1 53 53 VAL HG22 H 1 1.0800 0.04 . 2 . . . A 53 VAL HG22 . 30193 1 639 . 1 1 53 53 VAL HG23 H 1 1.0800 0.04 . 2 . . . A 53 VAL HG23 . 30193 1 640 . 1 1 53 53 VAL C C 13 176.6030 0.4 . 1 . . . A 53 VAL C . 30193 1 641 . 1 1 53 53 VAL CA C 13 65.7080 0.4 . 1 . . . A 53 VAL CA . 30193 1 642 . 1 1 53 53 VAL CB C 13 33.4700 0.4 . 1 . . . A 53 VAL CB . 30193 1 643 . 1 1 53 53 VAL CG1 C 13 24.4520 0.4 . 1 . . . A 53 VAL CG1 . 30193 1 644 . 1 1 53 53 VAL CG2 C 13 23.7940 0.4 . 1 . . . A 53 VAL CG2 . 30193 1 645 . 1 1 53 53 VAL N N 15 115.8530 0.4 . 1 . . . A 53 VAL N . 30193 1 646 . 1 1 54 54 LEU H H 1 7.8530 0.04 . 1 . . . A 54 LEU H . 30193 1 647 . 1 1 54 54 LEU HA H 1 4.2640 0.04 . 1 . . . A 54 LEU HA . 30193 1 648 . 1 1 54 54 LEU HB2 H 1 1.5800 0.04 . 1 . . . A 54 LEU HB2 . 30193 1 649 . 1 1 54 54 LEU HB3 H 1 1.8290 0.04 . 1 . . . A 54 LEU HB3 . 30193 1 650 . 1 1 54 54 LEU HG H 1 2.0100 0.04 . 1 . . . A 54 LEU HG . 30193 1 651 . 1 1 54 54 LEU HD11 H 1 0.9290 0.04 . 2 . . . A 54 LEU HD11 . 30193 1 652 . 1 1 54 54 LEU HD12 H 1 0.9290 0.04 . 2 . . . A 54 LEU HD12 . 30193 1 653 . 1 1 54 54 LEU HD13 H 1 0.9290 0.04 . 2 . . . A 54 LEU HD13 . 30193 1 654 . 1 1 54 54 LEU HD21 H 1 0.9520 0.04 . 2 . . . A 54 LEU HD21 . 30193 1 655 . 1 1 54 54 LEU HD22 H 1 0.9520 0.04 . 2 . . . A 54 LEU HD22 . 30193 1 656 . 1 1 54 54 LEU HD23 H 1 0.9520 0.04 . 2 . . . A 54 LEU HD23 . 30193 1 657 . 1 1 54 54 LEU C C 13 174.2710 0.4 . 1 . . . A 54 LEU C . 30193 1 658 . 1 1 54 54 LEU CA C 13 56.1700 0.4 . 1 . . . A 54 LEU CA . 30193 1 659 . 1 1 54 54 LEU CB C 13 44.1880 0.4 . 1 . . . A 54 LEU CB . 30193 1 660 . 1 1 54 54 LEU CG C 13 27.3810 0.4 . 1 . . . A 54 LEU CG . 30193 1 661 . 1 1 54 54 LEU CD1 C 13 27.6740 0.4 . 1 . . . A 54 LEU CD1 . 30193 1 662 . 1 1 54 54 LEU CD2 C 13 24.2870 0.4 . 1 . . . A 54 LEU CD2 . 30193 1 663 . 1 1 54 54 LEU N N 15 117.4400 0.4 . 1 . . . A 54 LEU N . 30193 1 664 . 1 1 55 55 ASP H H 1 7.9690 0.04 . 1 . . . A 55 ASP H . 30193 1 665 . 1 1 55 55 ASP HA H 1 4.4030 0.04 . 1 . . . A 55 ASP HA . 30193 1 666 . 1 1 55 55 ASP HB2 H 1 2.6530 0.04 . 1 . . . A 55 ASP HB2 . 30193 1 667 . 1 1 55 55 ASP HB3 H 1 3.2230 0.04 . 1 . . . A 55 ASP HB3 . 30193 1 668 . 1 1 55 55 ASP C C 13 174.4360 0.4 . 1 . . . A 55 ASP C . 30193 1 669 . 1 1 55 55 ASP CA C 13 56.9710 0.4 . 1 . . . A 55 ASP CA . 30193 1 670 . 1 1 55 55 ASP CB C 13 41.1510 0.4 . 1 . . . A 55 ASP CB . 30193 1 671 . 1 1 55 55 ASP N N 15 116.7790 0.4 . 1 . . . A 55 ASP N . 30193 1 672 . 1 1 56 56 VAL H H 1 7.6750 0.04 . 1 . . . A 56 VAL H . 30193 1 673 . 1 1 56 56 VAL HA H 1 4.6140 0.04 . 1 . . . A 56 VAL HA . 30193 1 674 . 1 1 56 56 VAL HB H 1 1.7950 0.04 . 1 . . . A 56 VAL HB . 30193 1 675 . 1 1 56 56 VAL HG11 H 1 0.4980 0.04 . 2 . . . A 56 VAL HG11 . 30193 1 676 . 1 1 56 56 VAL HG12 H 1 0.4980 0.04 . 2 . . . A 56 VAL HG12 . 30193 1 677 . 1 1 56 56 VAL HG13 H 1 0.4980 0.04 . 2 . . . A 56 VAL HG13 . 30193 1 678 . 1 1 56 56 VAL HG21 H 1 0.4620 0.04 . 2 . . . A 56 VAL HG21 . 30193 1 679 . 1 1 56 56 VAL HG22 H 1 0.4620 0.04 . 2 . . . A 56 VAL HG22 . 30193 1 680 . 1 1 56 56 VAL HG23 H 1 0.4620 0.04 . 2 . . . A 56 VAL HG23 . 30193 1 681 . 1 1 56 56 VAL C C 13 174.3760 0.4 . 1 . . . A 56 VAL C . 30193 1 682 . 1 1 56 56 VAL CA C 13 60.3260 0.4 . 1 . . . A 56 VAL CA . 30193 1 683 . 1 1 56 56 VAL CB C 13 36.7560 0.4 . 1 . . . A 56 VAL CB . 30193 1 684 . 1 1 56 56 VAL CG1 C 13 20.1100 0.4 . 1 . . . A 56 VAL CG1 . 30193 1 685 . 1 1 56 56 VAL CG2 C 13 22.2050 0.4 . 1 . . . A 56 VAL CG2 . 30193 1 686 . 1 1 56 56 VAL N N 15 112.2310 0.4 . 1 . . . A 56 VAL N . 30193 1 687 . 1 1 57 57 SER H H 1 8.3420 0.04 . 1 . . . A 57 SER H . 30193 1 688 . 1 1 57 57 SER HA H 1 4.6020 0.04 . 1 . . . A 57 SER HA . 30193 1 689 . 1 1 57 57 SER HB2 H 1 4.0500 0.04 . 1 . . . A 57 SER HB2 . 30193 1 690 . 1 1 57 57 SER HB3 H 1 4.2820 0.04 . 1 . . . A 57 SER HB3 . 30193 1 691 . 1 1 57 57 SER C C 13 175.6370 0.4 . 1 . . . A 57 SER C . 30193 1 692 . 1 1 57 57 SER CA C 13 58.5930 0.4 . 1 . . . A 57 SER CA . 30193 1 693 . 1 1 57 57 SER CB C 13 65.7600 0.4 . 1 . . . A 57 SER CB . 30193 1 694 . 1 1 57 57 SER N N 15 118.0180 0.4 . 1 . . . A 57 SER N . 30193 1 695 . 1 1 58 58 VAL H H 1 9.0180 0.04 . 1 . . . A 58 VAL H . 30193 1 696 . 1 1 58 58 VAL HA H 1 3.6890 0.04 . 1 . . . A 58 VAL HA . 30193 1 697 . 1 1 58 58 VAL HB H 1 2.1220 0.04 . 1 . . . A 58 VAL HB . 30193 1 698 . 1 1 58 58 VAL HG11 H 1 0.9490 0.04 . 2 . . . A 58 VAL HG11 . 30193 1 699 . 1 1 58 58 VAL HG12 H 1 0.9490 0.04 . 2 . . . A 58 VAL HG12 . 30193 1 700 . 1 1 58 58 VAL HG13 H 1 0.9490 0.04 . 2 . . . A 58 VAL HG13 . 30193 1 701 . 1 1 58 58 VAL HG21 H 1 1.0680 0.04 . 2 . . . A 58 VAL HG21 . 30193 1 702 . 1 1 58 58 VAL HG22 H 1 1.0680 0.04 . 2 . . . A 58 VAL HG22 . 30193 1 703 . 1 1 58 58 VAL HG23 H 1 1.0680 0.04 . 2 . . . A 58 VAL HG23 . 30193 1 704 . 1 1 58 58 VAL C C 13 177.3380 0.4 . 1 . . . A 58 VAL C . 30193 1 705 . 1 1 58 58 VAL CA C 13 68.2100 0.4 . 1 . . . A 58 VAL CA . 30193 1 706 . 1 1 58 58 VAL CB C 13 33.1680 0.4 . 1 . . . A 58 VAL CB . 30193 1 707 . 1 1 58 58 VAL CG1 C 13 22.6940 0.4 . 1 . . . A 58 VAL CG1 . 30193 1 708 . 1 1 58 58 VAL CG2 C 13 24.4510 0.4 . 1 . . . A 58 VAL CG2 . 30193 1 709 . 1 1 58 58 VAL N N 15 125.1680 0.4 . 1 . . . A 58 VAL N . 30193 1 710 . 1 1 59 59 HIS H H 1 8.1460 0.04 . 1 . . . A 59 HIS H . 30193 1 711 . 1 1 59 59 HIS HA H 1 4.3040 0.04 . 1 . . . A 59 HIS HA . 30193 1 712 . 1 1 59 59 HIS HB2 H 1 3.2270 0.04 . 1 . . . A 59 HIS HB2 . 30193 1 713 . 1 1 59 59 HIS HB3 H 1 3.2780 0.04 . 1 . . . A 59 HIS HB3 . 30193 1 714 . 1 1 59 59 HIS HD2 H 1 7.2380 0.04 . 1 . . . A 59 HIS HD2 . 30193 1 715 . 1 1 59 59 HIS C C 13 176.6800 0.4 . 1 . . . A 59 HIS C . 30193 1 716 . 1 1 59 59 HIS CA C 13 60.8220 0.4 . 1 . . . A 59 HIS CA . 30193 1 717 . 1 1 59 59 HIS CB C 13 30.7020 0.4 . 1 . . . A 59 HIS CB . 30193 1 718 . 1 1 59 59 HIS CD2 C 13 121.2800 0.4 . 1 . . . A 59 HIS CD2 . 30193 1 719 . 1 1 59 59 HIS N N 15 116.8320 0.4 . 1 . . . A 59 HIS N . 30193 1 720 . 1 1 60 60 THR H H 1 7.8340 0.04 . 1 . . . A 60 THR H . 30193 1 721 . 1 1 60 60 THR HA H 1 4.1250 0.04 . 1 . . . A 60 THR HA . 30193 1 722 . 1 1 60 60 THR HB H 1 4.3150 0.04 . 1 . . . A 60 THR HB . 30193 1 723 . 1 1 60 60 THR HG21 H 1 1.2540 0.04 . 1 . . . A 60 THR HG21 . 30193 1 724 . 1 1 60 60 THR HG22 H 1 1.2540 0.04 . 1 . . . A 60 THR HG22 . 30193 1 725 . 1 1 60 60 THR HG23 H 1 1.2540 0.04 . 1 . . . A 60 THR HG23 . 30193 1 726 . 1 1 60 60 THR C C 13 176.0010 0.4 . 1 . . . A 60 THR C . 30193 1 727 . 1 1 60 60 THR CA C 13 67.1250 0.4 . 1 . . . A 60 THR CA . 30193 1 728 . 1 1 60 60 THR CB C 13 69.9220 0.4 . 1 . . . A 60 THR CB . 30193 1 729 . 1 1 60 60 THR CG2 C 13 23.8660 0.4 . 1 . . . A 60 THR CG2 . 30193 1 730 . 1 1 60 60 THR N N 15 117.4460 0.4 . 1 . . . A 60 THR N . 30193 1 731 . 1 1 61 61 LEU H H 1 7.6430 0.04 . 1 . . . A 61 LEU H . 30193 1 732 . 1 1 61 61 LEU HA H 1 4.1480 0.04 . 1 . . . A 61 LEU HA . 30193 1 733 . 1 1 61 61 LEU HB2 H 1 1.5320 0.04 . 1 . . . A 61 LEU HB2 . 30193 1 734 . 1 1 61 61 LEU HB3 H 1 2.0990 0.04 . 1 . . . A 61 LEU HB3 . 30193 1 735 . 1 1 61 61 LEU HG H 1 1.8220 0.04 . 1 . . . A 61 LEU HG . 30193 1 736 . 1 1 61 61 LEU HD11 H 1 0.8490 0.04 . 2 . . . A 61 LEU HD11 . 30193 1 737 . 1 1 61 61 LEU HD12 H 1 0.8490 0.04 . 2 . . . A 61 LEU HD12 . 30193 1 738 . 1 1 61 61 LEU HD13 H 1 0.8490 0.04 . 2 . . . A 61 LEU HD13 . 30193 1 739 . 1 1 61 61 LEU HD21 H 1 0.7980 0.04 . 2 . . . A 61 LEU HD21 . 30193 1 740 . 1 1 61 61 LEU HD22 H 1 0.7980 0.04 . 2 . . . A 61 LEU HD22 . 30193 1 741 . 1 1 61 61 LEU HD23 H 1 0.7980 0.04 . 2 . . . A 61 LEU HD23 . 30193 1 742 . 1 1 61 61 LEU C C 13 176.7640 0.4 . 1 . . . A 61 LEU C . 30193 1 743 . 1 1 61 61 LEU CA C 13 58.7790 0.4 . 1 . . . A 61 LEU CA . 30193 1 744 . 1 1 61 61 LEU CB C 13 43.2840 0.4 . 1 . . . A 61 LEU CB . 30193 1 745 . 1 1 61 61 LEU CG C 13 27.9050 0.4 . 1 . . . A 61 LEU CG . 30193 1 746 . 1 1 61 61 LEU CD1 C 13 27.7410 0.4 . 1 . . . A 61 LEU CD1 . 30193 1 747 . 1 1 61 61 LEU CD2 C 13 24.7450 0.4 . 1 . . . A 61 LEU CD2 . 30193 1 748 . 1 1 61 61 LEU N N 15 120.1390 0.4 . 1 . . . A 61 LEU N . 30193 1 749 . 1 1 62 62 LEU H H 1 7.7340 0.04 . 1 . . . A 62 LEU H . 30193 1 750 . 1 1 62 62 LEU HA H 1 4.2960 0.04 . 1 . . . A 62 LEU HA . 30193 1 751 . 1 1 62 62 LEU HB2 H 1 1.7310 0.04 . 1 . . . A 62 LEU HB2 . 30193 1 752 . 1 1 62 62 LEU HB3 H 1 1.8020 0.04 . 1 . . . A 62 LEU HB3 . 30193 1 753 . 1 1 62 62 LEU HG H 1 1.8170 0.04 . 1 . . . A 62 LEU HG . 30193 1 754 . 1 1 62 62 LEU HD11 H 1 0.9270 0.04 . 2 . . . A 62 LEU HD11 . 30193 1 755 . 1 1 62 62 LEU HD12 H 1 0.9270 0.04 . 2 . . . A 62 LEU HD12 . 30193 1 756 . 1 1 62 62 LEU HD13 H 1 0.9270 0.04 . 2 . . . A 62 LEU HD13 . 30193 1 757 . 1 1 62 62 LEU HD21 H 1 0.9690 0.04 . 2 . . . A 62 LEU HD21 . 30193 1 758 . 1 1 62 62 LEU HD22 H 1 0.9690 0.04 . 2 . . . A 62 LEU HD22 . 30193 1 759 . 1 1 62 62 LEU HD23 H 1 0.9690 0.04 . 2 . . . A 62 LEU HD23 . 30193 1 760 . 1 1 62 62 LEU C C 13 176.9520 0.4 . 1 . . . A 62 LEU C . 30193 1 761 . 1 1 62 62 LEU CA C 13 57.0730 0.4 . 1 . . . A 62 LEU CA . 30193 1 762 . 1 1 62 62 LEU CB C 13 45.0110 0.4 . 1 . . . A 62 LEU CB . 30193 1 763 . 1 1 62 62 LEU CG C 13 28.5530 0.4 . 1 . . . A 62 LEU CG . 30193 1 764 . 1 1 62 62 LEU CD1 C 13 26.7950 0.4 . 1 . . . A 62 LEU CD1 . 30193 1 765 . 1 1 62 62 LEU CD2 C 13 24.5460 0.4 . 1 . . . A 62 LEU CD2 . 30193 1 766 . 1 1 62 62 LEU N N 15 116.5140 0.4 . 1 . . . A 62 LEU N . 30193 1 767 . 1 1 63 63 ASP H H 1 7.8400 0.04 . 1 . . . A 63 ASP H . 30193 1 768 . 1 1 63 63 ASP HA H 1 4.5990 0.04 . 1 . . . A 63 ASP HA . 30193 1 769 . 1 1 63 63 ASP HB2 H 1 2.6820 0.04 . 1 . . . A 63 ASP HB2 . 30193 1 770 . 1 1 63 63 ASP HB3 H 1 2.9390 0.04 . 1 . . . A 63 ASP HB3 . 30193 1 771 . 1 1 63 63 ASP C C 13 175.7240 0.4 . 1 . . . A 63 ASP C . 30193 1 772 . 1 1 63 63 ASP CA C 13 56.3870 0.4 . 1 . . . A 63 ASP CA . 30193 1 773 . 1 1 63 63 ASP CB C 13 42.6160 0.4 . 1 . . . A 63 ASP CB . 30193 1 774 . 1 1 63 63 ASP N N 15 120.0230 0.4 . 1 . . . A 63 ASP N . 30193 1 775 . 1 1 64 64 GLU H H 1 8.4130 0.04 . 1 . . . A 64 GLU H . 30193 1 776 . 1 1 64 64 GLU HA H 1 4.4140 0.04 . 1 . . . A 64 GLU HA . 30193 1 777 . 1 1 64 64 GLU HB2 H 1 2.0720 0.04 . 1 . . . A 64 GLU HB2 . 30193 1 778 . 1 1 64 64 GLU HB3 H 1 2.2090 0.04 . 1 . . . A 64 GLU HB3 . 30193 1 779 . 1 1 64 64 GLU HG2 H 1 2.3960 0.04 . 1 . . . A 64 GLU HG2 . 30193 1 780 . 1 1 64 64 GLU HG3 H 1 2.3840 0.04 . 1 . . . A 64 GLU HG3 . 30193 1 781 . 1 1 64 64 GLU C C 13 176.2160 0.4 . 1 . . . A 64 GLU C . 30193 1 782 . 1 1 64 64 GLU CA C 13 57.7780 0.4 . 1 . . . A 64 GLU CA . 30193 1 783 . 1 1 64 64 GLU CB C 13 31.8770 0.4 . 1 . . . A 64 GLU CB . 30193 1 784 . 1 1 64 64 GLU CG C 13 37.3250 0.4 . 1 . . . A 64 GLU CG . 30193 1 785 . 1 1 64 64 GLU N N 15 122.7390 0.4 . 1 . . . A 64 GLU N . 30193 1 786 . 1 1 65 65 LYS H H 1 8.4220 0.04 . 1 . . . A 65 LYS H . 30193 1 787 . 1 1 65 65 LYS HA H 1 4.4030 0.04 . 1 . . . A 65 LYS HA . 30193 1 788 . 1 1 65 65 LYS HB2 H 1 1.9070 0.04 . 1 . . . A 65 LYS HB2 . 30193 1 789 . 1 1 65 65 LYS HB3 H 1 1.9240 0.04 . 1 . . . A 65 LYS HB3 . 30193 1 790 . 1 1 65 65 LYS HG2 H 1 1.5000 0.04 . 1 . . . A 65 LYS HG2 . 30193 1 791 . 1 1 65 65 LYS HG3 H 1 1.5480 0.04 . 1 . . . A 65 LYS HG3 . 30193 1 792 . 1 1 65 65 LYS HD3 H 1 1.8070 0.04 . 1 . . . A 65 LYS HD3 . 30193 1 793 . 1 1 65 65 LYS HE3 H 1 3.1140 0.04 . 1 . . . A 65 LYS HE3 . 30193 1 794 . 1 1 65 65 LYS C C 13 176.0220 0.4 . 1 . . . A 65 LYS C . 30193 1 795 . 1 1 65 65 LYS CA C 13 57.3350 0.4 . 1 . . . A 65 LYS CA . 30193 1 796 . 1 1 65 65 LYS CB C 13 34.3200 0.4 . 1 . . . A 65 LYS CB . 30193 1 797 . 1 1 65 65 LYS CG C 13 26.2610 0.4 . 1 . . . A 65 LYS CG . 30193 1 798 . 1 1 65 65 LYS CD C 13 30.1280 0.4 . 1 . . . A 65 LYS CD . 30193 1 799 . 1 1 65 65 LYS CE C 13 43.3110 0.4 . 1 . . . A 65 LYS CE . 30193 1 800 . 1 1 65 65 LYS N N 15 122.4220 0.4 . 1 . . . A 65 LYS N . 30193 1 801 . 1 1 66 66 HIS H H 1 8.5780 0.04 . 1 . . . A 66 HIS H . 30193 1 802 . 1 1 66 66 HIS HA H 1 4.7970 0.04 . 1 . . . A 66 HIS HA . 30193 1 803 . 1 1 66 66 HIS HB2 H 1 3.2350 0.04 . 1 . . . A 66 HIS HB2 . 30193 1 804 . 1 1 66 66 HIS HB3 H 1 3.3500 0.04 . 1 . . . A 66 HIS HB3 . 30193 1 805 . 1 1 66 66 HIS HD2 H 1 7.3110 0.04 . 1 . . . A 66 HIS HD2 . 30193 1 806 . 1 1 66 66 HIS C C 13 174.3620 0.4 . 1 . . . A 66 HIS C . 30193 1 807 . 1 1 66 66 HIS CA C 13 56.9210 0.4 . 1 . . . A 66 HIS CA . 30193 1 808 . 1 1 66 66 HIS CB C 13 31.3590 0.4 . 1 . . . A 66 HIS CB . 30193 1 809 . 1 1 66 66 HIS CD2 C 13 121.7660 0.4 . 1 . . . A 66 HIS CD2 . 30193 1 810 . 1 1 66 66 HIS N N 15 121.1050 0.4 . 1 . . . A 66 HIS N . 30193 1 811 . 1 1 67 67 GLU H H 1 8.6680 0.04 . 1 . . . A 67 GLU H . 30193 1 812 . 1 1 67 67 GLU HA H 1 4.4960 0.04 . 1 . . . A 67 GLU HA . 30193 1 813 . 1 1 67 67 GLU HB2 H 1 2.0790 0.04 . 1 . . . A 67 GLU HB2 . 30193 1 814 . 1 1 67 67 GLU HB3 H 1 2.2100 0.04 . 1 . . . A 67 GLU HB3 . 30193 1 815 . 1 1 67 67 GLU HG3 H 1 2.3850 0.04 . 1 . . . A 67 GLU HG3 . 30193 1 816 . 1 1 67 67 GLU C C 13 176.2450 0.4 . 1 . . . A 67 GLU C . 30193 1 817 . 1 1 67 67 GLU CA C 13 58.2470 0.4 . 1 . . . A 67 GLU CA . 30193 1 818 . 1 1 67 67 GLU CB C 13 32.0170 0.4 . 1 . . . A 67 GLU CB . 30193 1 819 . 1 1 67 67 GLU CG C 13 37.9380 0.4 . 1 . . . A 67 GLU CG . 30193 1 820 . 1 1 67 67 GLU N N 15 123.2400 0.4 . 1 . . . A 67 GLU N . 30193 1 821 . 1 1 68 68 THR H H 1 8.3110 0.04 . 1 . . . A 68 THR H . 30193 1 822 . 1 1 68 68 THR HA H 1 4.4930 0.04 . 1 . . . A 68 THR HA . 30193 1 823 . 1 1 68 68 THR HB H 1 4.3890 0.04 . 1 . . . A 68 THR HB . 30193 1 824 . 1 1 68 68 THR HG21 H 1 1.3210 0.04 . 1 . . . A 68 THR HG21 . 30193 1 825 . 1 1 68 68 THR HG22 H 1 1.3210 0.04 . 1 . . . A 68 THR HG22 . 30193 1 826 . 1 1 68 68 THR HG23 H 1 1.3210 0.04 . 1 . . . A 68 THR HG23 . 30193 1 827 . 1 1 68 68 THR C C 13 173.4050 0.4 . 1 . . . A 68 THR C . 30193 1 828 . 1 1 68 68 THR CA C 13 63.0970 0.4 . 1 . . . A 68 THR CA . 30193 1 829 . 1 1 68 68 THR CB C 13 71.3380 0.4 . 1 . . . A 68 THR CB . 30193 1 830 . 1 1 68 68 THR CG2 C 13 23.1360 0.4 . 1 . . . A 68 THR CG2 . 30193 1 831 . 1 1 68 68 THR N N 15 115.2210 0.4 . 1 . . . A 68 THR N . 30193 1 832 . 1 1 69 69 GLU H H 1 8.0830 0.04 . 1 . . . A 69 GLU H . 30193 1 833 . 1 1 69 69 GLU HA H 1 4.2730 0.04 . 1 . . . A 69 GLU HA . 30193 1 834 . 1 1 69 69 GLU HB2 H 1 2.0330 0.04 . 1 . . . A 69 GLU HB2 . 30193 1 835 . 1 1 69 69 GLU HB3 H 1 2.1870 0.04 . 1 . . . A 69 GLU HB3 . 30193 1 836 . 1 1 69 69 GLU HG3 H 1 2.3350 0.04 . 1 . . . A 69 GLU HG3 . 30193 1 837 . 1 1 69 69 GLU C C 13 180.7010 0.4 . 1 . . . A 69 GLU C . 30193 1 838 . 1 1 69 69 GLU CA C 13 59.5010 0.4 . 1 . . . A 69 GLU CA . 30193 1 839 . 1 1 69 69 GLU CB C 13 32.5050 0.4 . 1 . . . A 69 GLU CB . 30193 1 840 . 1 1 69 69 GLU CG C 13 38.4320 0.4 . 1 . . . A 69 GLU CG . 30193 1 841 . 1 1 69 69 GLU N N 15 128.7490 0.4 . 1 . . . A 69 GLU N . 30193 1 stop_ save_