data_34079 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34079 _Entry.Title ; Solution NMR structure of hnRNP A1 RRM1 in complex with 5'-UUAGGUC-3' RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-12-16 _Entry.Accession_date 2017-11-28 _Entry.Last_release_date 2017-11-28 _Entry.Original_release_date 2017-11-28 _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 . 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 P. Barraud P. . . . 34079 2 F. Allain H.-T. . . . 34079 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RNA . 34079 RRM . 34079 splicing . 34079 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34079 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 293 34079 '15N chemical shifts' 93 34079 '1H chemical shifts' 637 34079 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 . . 2017-11-29 . original BMRB . 34079 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5MPG 'BMRB Entry Tracking System' 34079 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34079 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28650318 _Citation.Full_citation . _Citation.Title ; Tandem hnRNP A1 RNA recognition motifs act in concert to repress the splicing of survival motor neuron exon 7 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Elife _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2050-084X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e25736 _Citation.Page_last e25736 _Citation.Year 2017 _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 Irene Beusch I. . . . 34079 1 2 Pierre Barraud P. . . . 34079 1 3 Ahmed Moursy A. . . . 34079 1 4 Antoine Clery A. . . . 34079 1 5 'Frederic Hai-Trieu' Allain F. H. . . 34079 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34079 _Assembly.ID 1 _Assembly.Name 'Heterogeneous nuclear ribonucleoprotein A1/RNA Complex' _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 . . . . . . 34079 1 2 entity_2 2 $entity_2 B B yes . . . . . . 34079 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34079 _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 ; ASKSESPKEPEQLRKLFIGG LSFETTDESLRSHFEQWGTL TDCVVMRDPNTKRSRGFGFV TYATVEEVDAAMNARPHKVD GRVVEPKRAVSREDSQR ; _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 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11003.271 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Helix-destabilizing protein' na 34079 1 'Single-strand RNA-binding protein' na 34079 1 'hnRNP A1' na 34079 1 'hnRNP core protein A1' na 34079 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 34079 1 2 . SER . 34079 1 3 . LYS . 34079 1 4 . SER . 34079 1 5 . GLU . 34079 1 6 . SER . 34079 1 7 . PRO . 34079 1 8 . LYS . 34079 1 9 . GLU . 34079 1 10 . PRO . 34079 1 11 . GLU . 34079 1 12 . GLN . 34079 1 13 . LEU . 34079 1 14 . ARG . 34079 1 15 . LYS . 34079 1 16 . LEU . 34079 1 17 . PHE . 34079 1 18 . ILE . 34079 1 19 . GLY . 34079 1 20 . GLY . 34079 1 21 . LEU . 34079 1 22 . SER . 34079 1 23 . PHE . 34079 1 24 . GLU . 34079 1 25 . THR . 34079 1 26 . THR . 34079 1 27 . ASP . 34079 1 28 . GLU . 34079 1 29 . SER . 34079 1 30 . LEU . 34079 1 31 . ARG . 34079 1 32 . SER . 34079 1 33 . HIS . 34079 1 34 . PHE . 34079 1 35 . GLU . 34079 1 36 . GLN . 34079 1 37 . TRP . 34079 1 38 . GLY . 34079 1 39 . THR . 34079 1 40 . LEU . 34079 1 41 . THR . 34079 1 42 . ASP . 34079 1 43 . CYS . 34079 1 44 . VAL . 34079 1 45 . VAL . 34079 1 46 . MET . 34079 1 47 . ARG . 34079 1 48 . ASP . 34079 1 49 . PRO . 34079 1 50 . ASN . 34079 1 51 . THR . 34079 1 52 . LYS . 34079 1 53 . ARG . 34079 1 54 . SER . 34079 1 55 . ARG . 34079 1 56 . GLY . 34079 1 57 . PHE . 34079 1 58 . GLY . 34079 1 59 . PHE . 34079 1 60 . VAL . 34079 1 61 . THR . 34079 1 62 . TYR . 34079 1 63 . ALA . 34079 1 64 . THR . 34079 1 65 . VAL . 34079 1 66 . GLU . 34079 1 67 . GLU . 34079 1 68 . VAL . 34079 1 69 . ASP . 34079 1 70 . ALA . 34079 1 71 . ALA . 34079 1 72 . MET . 34079 1 73 . ASN . 34079 1 74 . ALA . 34079 1 75 . ARG . 34079 1 76 . PRO . 34079 1 77 . HIS . 34079 1 78 . LYS . 34079 1 79 . VAL . 34079 1 80 . ASP . 34079 1 81 . GLY . 34079 1 82 . ARG . 34079 1 83 . VAL . 34079 1 84 . VAL . 34079 1 85 . GLU . 34079 1 86 . PRO . 34079 1 87 . LYS . 34079 1 88 . ARG . 34079 1 89 . ALA . 34079 1 90 . VAL . 34079 1 91 . SER . 34079 1 92 . ARG . 34079 1 93 . GLU . 34079 1 94 . ASP . 34079 1 95 . SER . 34079 1 96 . GLN . 34079 1 97 . ARG . 34079 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 . ALA 1 1 34079 1 . SER 2 2 34079 1 . LYS 3 3 34079 1 . SER 4 4 34079 1 . GLU 5 5 34079 1 . SER 6 6 34079 1 . PRO 7 7 34079 1 . LYS 8 8 34079 1 . GLU 9 9 34079 1 . PRO 10 10 34079 1 . GLU 11 11 34079 1 . GLN 12 12 34079 1 . LEU 13 13 34079 1 . ARG 14 14 34079 1 . LYS 15 15 34079 1 . LEU 16 16 34079 1 . PHE 17 17 34079 1 . ILE 18 18 34079 1 . GLY 19 19 34079 1 . GLY 20 20 34079 1 . LEU 21 21 34079 1 . SER 22 22 34079 1 . PHE 23 23 34079 1 . GLU 24 24 34079 1 . THR 25 25 34079 1 . THR 26 26 34079 1 . ASP 27 27 34079 1 . GLU 28 28 34079 1 . SER 29 29 34079 1 . LEU 30 30 34079 1 . ARG 31 31 34079 1 . SER 32 32 34079 1 . HIS 33 33 34079 1 . PHE 34 34 34079 1 . GLU 35 35 34079 1 . GLN 36 36 34079 1 . TRP 37 37 34079 1 . GLY 38 38 34079 1 . THR 39 39 34079 1 . LEU 40 40 34079 1 . THR 41 41 34079 1 . ASP 42 42 34079 1 . CYS 43 43 34079 1 . VAL 44 44 34079 1 . VAL 45 45 34079 1 . MET 46 46 34079 1 . ARG 47 47 34079 1 . ASP 48 48 34079 1 . PRO 49 49 34079 1 . ASN 50 50 34079 1 . THR 51 51 34079 1 . LYS 52 52 34079 1 . ARG 53 53 34079 1 . SER 54 54 34079 1 . ARG 55 55 34079 1 . GLY 56 56 34079 1 . PHE 57 57 34079 1 . GLY 58 58 34079 1 . PHE 59 59 34079 1 . VAL 60 60 34079 1 . THR 61 61 34079 1 . TYR 62 62 34079 1 . ALA 63 63 34079 1 . THR 64 64 34079 1 . VAL 65 65 34079 1 . GLU 66 66 34079 1 . GLU 67 67 34079 1 . VAL 68 68 34079 1 . ASP 69 69 34079 1 . ALA 70 70 34079 1 . ALA 71 71 34079 1 . MET 72 72 34079 1 . ASN 73 73 34079 1 . ALA 74 74 34079 1 . ARG 75 75 34079 1 . PRO 76 76 34079 1 . HIS 77 77 34079 1 . LYS 78 78 34079 1 . VAL 79 79 34079 1 . ASP 80 80 34079 1 . GLY 81 81 34079 1 . ARG 82 82 34079 1 . VAL 83 83 34079 1 . VAL 84 84 34079 1 . GLU 85 85 34079 1 . PRO 86 86 34079 1 . LYS 87 87 34079 1 . ARG 88 88 34079 1 . ALA 89 89 34079 1 . VAL 90 90 34079 1 . SER 91 91 34079 1 . ARG 92 92 34079 1 . GLU 93 93 34079 1 . ASP 94 94 34079 1 . SER 95 95 34079 1 . GLN 96 96 34079 1 . ARG 97 97 34079 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34079 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; UUAGGUC ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2198.339 _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 . U . 34079 2 2 . U . 34079 2 3 . A . 34079 2 4 . G . 34079 2 5 . G . 34079 2 6 . U . 34079 2 7 . C . 34079 2 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 . U 1 1 34079 2 . U 2 2 34079 2 . A 3 3 34079 2 . G 4 4 34079 2 . G 5 5 34079 2 . U 6 6 34079 2 . C 7 7 34079 2 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 34079 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'HNRNPA1, HNRPA1' . 34079 1 2 2 $entity_2 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 34079 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 34079 _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' . . . Escherichia coli . . . . . . . . . . 34079 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34079 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34079 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM [U-99% 15N] hnRNP A1 RRM1, 1.0 mM RNA UUAGGUC, 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 'hnRNP A1 RRM1' '[U-99% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 34079 3 2 'RNA UUAGGUC' 'natural abundance' . . 2 $entity_2 . . 1.0 . . mM . . . . 34079 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 34079 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM [U-99% 13C; U-99% 15N] hnRNP A1 RRM1, 1.0 mM RNA UUAGGUC, 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 'hnRNP A1 RRM1' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 34079 4 2 'RNA UUAGGUC' 'natural abundance' . . 2 $entity_2 . . 1.0 . . mM . . . . 34079 4 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34079 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM [U-99% 15N] hnRNP A1 RRM1, 1.0 mM RNA UUAGGUC, 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 'hnRNP A1 RRM1' '[U-99% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 34079 1 2 'RNA UUAGGUC' 'natural abundance' . . 2 $entity_2 . . 1.0 . . mM . . . . 34079 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34079 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM [U-99% 13C; U-99% 15N] hnRNP A1 RRM1, 1.0 mM RNA UUAGGUC, 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 'hnRNP A1 RRM1' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 34079 2 2 'RNA UUAGGUC' 'natural abundance' . . 2 $entity_2 . . 1.0 . . mM . . . . 34079 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34079 _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' 10 . mM 34079 1 pH 6.5 . pH 34079 1 pressure 1 . atm 34079 1 temperature 303 . K 34079 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34079 _Software.ID 1 _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' . . 34079 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34079 1 processing 34079 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34079 _Software.ID 2 _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 . . 34079 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34079 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34079 _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' . . 34079 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34079 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34079 _Software.ID 4 _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' . . 34079 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34079 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34079 _Software.ID 5 _Software.Type . _Software.Name ProcheckNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 34079 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34079 5 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 34079 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34079 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34079 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 34079 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 34079 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 34079 _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 . 500 . . . 34079 1 2 NMR_spectrometer_2 Bruker AvanceIII . 600 . . . 34079 1 3 NMR_spectrometer_3 Bruker AvanceIII . 700 . . . 34079 1 4 NMR_spectrometer_4 Bruker AvanceIII . 750 . . . 34079 1 5 NMR_spectrometer_5 Bruker Avance . 900 . . . 34079 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 34079 _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 . . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34079 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 4 $sample_4 . . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 34079 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 4 $sample_4 . . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34079 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34079 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34079 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34079 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34079 1 8 '3D HCc(CO)NH TOCSY' no . . . . . . . . . . 2 $sample_2 . . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34079 1 9 '3D hCC(CO)NH TOCSY' no . . . . . . . . . . 2 $sample_2 . . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34079 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 34079 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 . . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 34079 1 12 '3D F1eF3f 13C-filtered/edited NOESY' no . . . . . . . . . . 4 $sample_4 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34079 1 13 '2D F1fF2f 13C-filtered NOESY' no . . . . . . . . . . 4 $sample_4 . . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34079 1 14 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 . . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 34079 1 15 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 . . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 34079 1 16 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 . . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 34079 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 34079 _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 . . . . . 34079 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34079 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34079 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 34079 _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 '2D 1H-15N HSQC' . . . 34079 1 2 '2D 1H-13C HSQC aliphatic' . . . 34079 1 3 '2D 1H-13C HSQC aromatic' . . . 34079 1 4 '3D HNCA' . . . 34079 1 5 '3D HNCACB' . . . 34079 1 6 '3D CBCA(CO)NH' . . . 34079 1 7 '3D HNCO' . . . 34079 1 8 '3D HCc(CO)NH TOCSY' . . . 34079 1 9 '3D hCC(CO)NH TOCSY' . . . 34079 1 10 '3D 1H-15N NOESY' . . . 34079 1 11 '3D 1H-13C NOESY aliphatic' . . . 34079 1 12 '3D F1eF3f 13C-filtered/edited NOESY' . . . 34079 1 13 '2D F1fF2f 13C-filtered NOESY' . . . 34079 1 14 '2D 1H-1H TOCSY' . . . 34079 1 15 '2D 1H-1H NOESY' . . . 34079 1 16 '3D 1H-13C NOESY aromatic' . . . 34079 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 8 8 LYS H H 1 8.440 0.020 . 1 . . . . A 8 LYS H . 34079 1 2 . 1 1 8 8 LYS HA H 1 4.278 0.020 . 1 . . . . A 8 LYS HA . 34079 1 3 . 1 1 8 8 LYS HB2 H 1 1.825 0.020 . 2 . . . . A 8 LYS HB2 . 34079 1 4 . 1 1 8 8 LYS HB3 H 1 1.754 0.020 . 2 . . . . A 8 LYS HB3 . 34079 1 5 . 1 1 8 8 LYS HD2 H 1 1.648 0.020 . 2 . . . . A 8 LYS HD2 . 34079 1 6 . 1 1 8 8 LYS HD3 H 1 1.648 0.020 . 2 . . . . A 8 LYS HD3 . 34079 1 7 . 1 1 8 8 LYS HE2 H 1 2.997 0.020 . 2 . . . . A 8 LYS HE2 . 34079 1 8 . 1 1 8 8 LYS HE3 H 1 2.997 0.020 . 2 . . . . A 8 LYS HE3 . 34079 1 9 . 1 1 8 8 LYS CA C 13 56.508 0.300 . 1 . . . . A 8 LYS CA . 34079 1 10 . 1 1 8 8 LYS CB C 13 33.365 0.300 . 1 . . . . A 8 LYS CB . 34079 1 11 . 1 1 8 8 LYS CD C 13 29.039 0.300 . 1 . . . . A 8 LYS CD . 34079 1 12 . 1 1 8 8 LYS CE C 13 42.218 0.300 . 1 . . . . A 8 LYS CE . 34079 1 13 . 1 1 8 8 LYS N N 15 121.721 0.300 . 1 . . . . A 8 LYS N . 34079 1 14 . 1 1 9 9 GLU H H 1 8.289 0.020 . 1 . . . . A 9 GLU H . 34079 1 15 . 1 1 9 9 GLU HA H 1 4.719 0.020 . 1 . . . . A 9 GLU HA . 34079 1 16 . 1 1 9 9 GLU CA C 13 54.601 0.300 . 1 . . . . A 9 GLU CA . 34079 1 17 . 1 1 9 9 GLU N N 15 120.991 0.300 . 1 . . . . A 9 GLU N . 34079 1 18 . 1 1 10 10 PRO HA H 1 4.343 0.020 . 1 . . . . A 10 PRO HA . 34079 1 19 . 1 1 10 10 PRO HB2 H 1 1.918 0.020 . 1 . . . . A 10 PRO HB2 . 34079 1 20 . 1 1 10 10 PRO HB3 H 1 2.419 0.020 . 1 . . . . A 10 PRO HB3 . 34079 1 21 . 1 1 10 10 PRO HG2 H 1 2.079 0.020 . 2 . . . . A 10 PRO HG2 . 34079 1 22 . 1 1 10 10 PRO HG3 H 1 1.892 0.020 . 2 . . . . A 10 PRO HG3 . 34079 1 23 . 1 1 10 10 PRO HD2 H 1 3.598 0.020 . 2 . . . . A 10 PRO HD2 . 34079 1 24 . 1 1 10 10 PRO HD3 H 1 3.864 0.020 . 2 . . . . A 10 PRO HD3 . 34079 1 25 . 1 1 10 10 PRO CA C 13 63.561 0.300 . 1 . . . . A 10 PRO CA . 34079 1 26 . 1 1 10 10 PRO CB C 13 32.230 0.300 . 1 . . . . A 10 PRO CB . 34079 1 27 . 1 1 10 10 PRO CG C 13 27.421 0.300 . 1 . . . . A 10 PRO CG . 34079 1 28 . 1 1 10 10 PRO CD C 13 51.019 0.300 . 1 . . . . A 10 PRO CD . 34079 1 29 . 1 1 11 11 GLU H H 1 8.676 0.020 . 1 . . . . A 11 GLU H . 34079 1 30 . 1 1 11 11 GLU HA H 1 3.720 0.020 . 1 . . . . A 11 GLU HA . 34079 1 31 . 1 1 11 11 GLU HB2 H 1 2.023 0.020 . 2 . . . . A 11 GLU HB2 . 34079 1 32 . 1 1 11 11 GLU HB3 H 1 2.023 0.020 . 2 . . . . A 11 GLU HB3 . 34079 1 33 . 1 1 11 11 GLU HG2 H 1 2.215 0.020 . 2 . . . . A 11 GLU HG2 . 34079 1 34 . 1 1 11 11 GLU HG3 H 1 2.215 0.020 . 2 . . . . A 11 GLU HG3 . 34079 1 35 . 1 1 11 11 GLU CA C 13 59.648 0.300 . 1 . . . . A 11 GLU CA . 34079 1 36 . 1 1 11 11 GLU CB C 13 29.921 0.300 . 1 . . . . A 11 GLU CB . 34079 1 37 . 1 1 11 11 GLU CG C 13 36.691 0.300 . 1 . . . . A 11 GLU CG . 34079 1 38 . 1 1 11 11 GLU N N 15 123.066 0.300 . 1 . . . . A 11 GLU N . 34079 1 39 . 1 1 12 12 GLN H H 1 8.496 0.020 . 1 . . . . A 12 GLN H . 34079 1 40 . 1 1 12 12 GLN HA H 1 3.905 0.020 . 1 . . . . A 12 GLN HA . 34079 1 41 . 1 1 12 12 GLN HB2 H 1 1.994 0.020 . 1 . . . . A 12 GLN HB2 . 34079 1 42 . 1 1 12 12 GLN HB3 H 1 2.205 0.020 . 1 . . . . A 12 GLN HB3 . 34079 1 43 . 1 1 12 12 GLN HG2 H 1 2.521 0.020 . 1 . . . . A 12 GLN HG2 . 34079 1 44 . 1 1 12 12 GLN HG3 H 1 2.452 0.020 . 1 . . . . A 12 GLN HG3 . 34079 1 45 . 1 1 12 12 GLN HE21 H 1 7.169 0.020 . 2 . . . . A 12 GLN HE21 . 34079 1 46 . 1 1 12 12 GLN HE22 H 1 7.368 0.020 . 2 . . . . A 12 GLN HE22 . 34079 1 47 . 1 1 12 12 GLN CA C 13 58.361 0.300 . 1 . . . . A 12 GLN CA . 34079 1 48 . 1 1 12 12 GLN CB C 13 28.561 0.300 . 1 . . . . A 12 GLN CB . 34079 1 49 . 1 1 12 12 GLN CG C 13 33.766 0.300 . 1 . . . . A 12 GLN CG . 34079 1 50 . 1 1 12 12 GLN N N 15 116.481 0.300 . 1 . . . . A 12 GLN N . 34079 1 51 . 1 1 12 12 GLN NE2 N 15 112.631 0.300 . 1 . . . . A 12 GLN NE2 . 34079 1 52 . 1 1 13 13 LEU H H 1 7.371 0.020 . 1 . . . . A 13 LEU H . 34079 1 53 . 1 1 13 13 LEU HA H 1 4.263 0.020 . 1 . . . . A 13 LEU HA . 34079 1 54 . 1 1 13 13 LEU HB2 H 1 1.703 0.020 . 2 . . . . A 13 LEU HB2 . 34079 1 55 . 1 1 13 13 LEU HB3 H 1 1.703 0.020 . 2 . . . . A 13 LEU HB3 . 34079 1 56 . 1 1 13 13 LEU HG H 1 1.654 0.020 . 1 . . . . A 13 LEU HG . 34079 1 57 . 1 1 13 13 LEU HD11 H 1 0.980 0.020 . 2 . . . . A 13 LEU HD11 . 34079 1 58 . 1 1 13 13 LEU HD12 H 1 0.980 0.020 . 2 . . . . A 13 LEU HD12 . 34079 1 59 . 1 1 13 13 LEU HD13 H 1 0.980 0.020 . 2 . . . . A 13 LEU HD13 . 34079 1 60 . 1 1 13 13 LEU HD21 H 1 0.920 0.020 . 2 . . . . A 13 LEU HD21 . 34079 1 61 . 1 1 13 13 LEU HD22 H 1 0.920 0.020 . 2 . . . . A 13 LEU HD22 . 34079 1 62 . 1 1 13 13 LEU HD23 H 1 0.920 0.020 . 2 . . . . A 13 LEU HD23 . 34079 1 63 . 1 1 13 13 LEU CA C 13 56.301 0.300 . 1 . . . . A 13 LEU CA . 34079 1 64 . 1 1 13 13 LEU CB C 13 42.412 0.300 . 1 . . . . A 13 LEU CB . 34079 1 65 . 1 1 13 13 LEU CG C 13 27.132 0.300 . 1 . . . . A 13 LEU CG . 34079 1 66 . 1 1 13 13 LEU CD1 C 13 25.268 0.300 . 1 . . . . A 13 LEU CD1 . 34079 1 67 . 1 1 13 13 LEU CD2 C 13 22.921 0.300 . 1 . . . . A 13 LEU CD2 . 34079 1 68 . 1 1 13 13 LEU N N 15 115.075 0.300 . 1 . . . . A 13 LEU N . 34079 1 69 . 1 1 14 14 ARG H H 1 7.633 0.020 . 1 . . . . A 14 ARG H . 34079 1 70 . 1 1 14 14 ARG HA H 1 4.445 0.020 . 1 . . . . A 14 ARG HA . 34079 1 71 . 1 1 14 14 ARG HB2 H 1 1.608 0.020 . 1 . . . . A 14 ARG HB2 . 34079 1 72 . 1 1 14 14 ARG HB3 H 1 2.561 0.020 . 1 . . . . A 14 ARG HB3 . 34079 1 73 . 1 1 14 14 ARG HG2 H 1 1.082 0.020 . 2 . . . . A 14 ARG HG2 . 34079 1 74 . 1 1 14 14 ARG HG3 H 1 1.459 0.020 . 2 . . . . A 14 ARG HG3 . 34079 1 75 . 1 1 14 14 ARG HD2 H 1 3.124 0.020 . 2 . . . . A 14 ARG HD2 . 34079 1 76 . 1 1 14 14 ARG HD3 H 1 3.124 0.020 . 2 . . . . A 14 ARG HD3 . 34079 1 77 . 1 1 14 14 ARG HE H 1 6.944 0.020 . 1 . . . . A 14 ARG HE . 34079 1 78 . 1 1 14 14 ARG CA C 13 56.011 0.300 . 1 . . . . A 14 ARG CA . 34079 1 79 . 1 1 14 14 ARG CB C 13 31.092 0.300 . 1 . . . . A 14 ARG CB . 34079 1 80 . 1 1 14 14 ARG CG C 13 29.977 0.300 . 1 . . . . A 14 ARG CG . 34079 1 81 . 1 1 14 14 ARG CD C 13 43.506 0.300 . 1 . . . . A 14 ARG CD . 34079 1 82 . 1 1 14 14 ARG N N 15 117.100 0.300 . 1 . . . . A 14 ARG N . 34079 1 83 . 1 1 14 14 ARG NE N 15 85.367 0.300 . 1 . . . . A 14 ARG NE . 34079 1 84 . 1 1 15 15 LYS H H 1 7.149 0.020 . 1 . . . . A 15 LYS H . 34079 1 85 . 1 1 15 15 LYS HA H 1 5.270 0.020 . 1 . . . . A 15 LYS HA . 34079 1 86 . 1 1 15 15 LYS HB2 H 1 1.730 0.020 . 2 . . . . A 15 LYS HB2 . 34079 1 87 . 1 1 15 15 LYS HB3 H 1 1.849 0.020 . 2 . . . . A 15 LYS HB3 . 34079 1 88 . 1 1 15 15 LYS HG2 H 1 1.489 0.020 . 2 . . . . A 15 LYS HG2 . 34079 1 89 . 1 1 15 15 LYS HG3 H 1 1.150 0.020 . 2 . . . . A 15 LYS HG3 . 34079 1 90 . 1 1 15 15 LYS HD2 H 1 1.358 0.020 . 2 . . . . A 15 LYS HD2 . 34079 1 91 . 1 1 15 15 LYS HD3 H 1 1.358 0.020 . 2 . . . . A 15 LYS HD3 . 34079 1 92 . 1 1 15 15 LYS HE2 H 1 2.496 0.020 . 2 . . . . A 15 LYS HE2 . 34079 1 93 . 1 1 15 15 LYS HE3 H 1 2.646 0.020 . 2 . . . . A 15 LYS HE3 . 34079 1 94 . 1 1 15 15 LYS CA C 13 55.342 0.300 . 1 . . . . A 15 LYS CA . 34079 1 95 . 1 1 15 15 LYS CB C 13 37.116 0.300 . 1 . . . . A 15 LYS CB . 34079 1 96 . 1 1 15 15 LYS CG C 13 24.880 0.300 . 1 . . . . A 15 LYS CG . 34079 1 97 . 1 1 15 15 LYS CD C 13 30.399 0.300 . 1 . . . . A 15 LYS CD . 34079 1 98 . 1 1 15 15 LYS CE C 13 41.186 0.300 . 1 . . . . A 15 LYS CE . 34079 1 99 . 1 1 15 15 LYS N N 15 121.004 0.300 . 1 . . . . A 15 LYS N . 34079 1 100 . 1 1 16 16 LEU H H 1 9.597 0.020 . 1 . . . . A 16 LEU H . 34079 1 101 . 1 1 16 16 LEU HA H 1 5.073 0.020 . 1 . . . . A 16 LEU HA . 34079 1 102 . 1 1 16 16 LEU HB2 H 1 1.064 0.020 . 1 . . . . A 16 LEU HB2 . 34079 1 103 . 1 1 16 16 LEU HB3 H 1 1.500 0.020 . 1 . . . . A 16 LEU HB3 . 34079 1 104 . 1 1 16 16 LEU HD11 H 1 0.708 0.020 . 2 . . . . A 16 LEU HD11 . 34079 1 105 . 1 1 16 16 LEU HD12 H 1 0.708 0.020 . 2 . . . . A 16 LEU HD12 . 34079 1 106 . 1 1 16 16 LEU HD13 H 1 0.708 0.020 . 2 . . . . A 16 LEU HD13 . 34079 1 107 . 1 1 16 16 LEU HD21 H 1 0.789 0.020 . 2 . . . . A 16 LEU HD21 . 34079 1 108 . 1 1 16 16 LEU HD22 H 1 0.789 0.020 . 2 . . . . A 16 LEU HD22 . 34079 1 109 . 1 1 16 16 LEU HD23 H 1 0.789 0.020 . 2 . . . . A 16 LEU HD23 . 34079 1 110 . 1 1 16 16 LEU CA C 13 53.235 0.300 . 1 . . . . A 16 LEU CA . 34079 1 111 . 1 1 16 16 LEU CB C 13 45.030 0.300 . 1 . . . . A 16 LEU CB . 34079 1 112 . 1 1 16 16 LEU CD1 C 13 25.082 0.300 . 1 . . . . A 16 LEU CD1 . 34079 1 113 . 1 1 16 16 LEU CD2 C 13 24.281 0.300 . 1 . . . . A 16 LEU CD2 . 34079 1 114 . 1 1 16 16 LEU N N 15 125.584 0.300 . 1 . . . . A 16 LEU N . 34079 1 115 . 1 1 17 17 PHE H H 1 8.955 0.020 . 1 . . . . A 17 PHE H . 34079 1 116 . 1 1 17 17 PHE HA H 1 4.117 0.020 . 1 . . . . A 17 PHE HA . 34079 1 117 . 1 1 17 17 PHE HB2 H 1 2.561 0.020 . 1 . . . . A 17 PHE HB2 . 34079 1 118 . 1 1 17 17 PHE HB3 H 1 2.203 0.020 . 1 . . . . A 17 PHE HB3 . 34079 1 119 . 1 1 17 17 PHE HD1 H 1 6.111 0.020 . 1 . . . . A 17 PHE HD1 . 34079 1 120 . 1 1 17 17 PHE HD2 H 1 6.111 0.020 . 1 . . . . A 17 PHE HD2 . 34079 1 121 . 1 1 17 17 PHE HE1 H 1 6.533 0.020 . 1 . . . . A 17 PHE HE1 . 34079 1 122 . 1 1 17 17 PHE HE2 H 1 6.533 0.020 . 1 . . . . A 17 PHE HE2 . 34079 1 123 . 1 1 17 17 PHE HZ H 1 7.280 0.020 . 1 . . . . A 17 PHE HZ . 34079 1 124 . 1 1 17 17 PHE CA C 13 56.626 0.300 . 1 . . . . A 17 PHE CA . 34079 1 125 . 1 1 17 17 PHE CB C 13 40.331 0.300 . 1 . . . . A 17 PHE CB . 34079 1 126 . 1 1 17 17 PHE CD1 C 13 130.363 0.300 . 1 . . . . A 17 PHE CD1 . 34079 1 127 . 1 1 17 17 PHE CD2 C 13 130.363 0.300 . 1 . . . . A 17 PHE CD2 . 34079 1 128 . 1 1 17 17 PHE CE1 C 13 130.600 0.300 . 1 . . . . A 17 PHE CE1 . 34079 1 129 . 1 1 17 17 PHE CE2 C 13 130.705 0.300 . 1 . . . . A 17 PHE CE2 . 34079 1 130 . 1 1 17 17 PHE CZ C 13 128.867 0.300 . 1 . . . . A 17 PHE CZ . 34079 1 131 . 1 1 17 17 PHE N N 15 123.800 0.300 . 1 . . . . A 17 PHE N . 34079 1 132 . 1 1 18 18 ILE H H 1 8.109 0.020 . 1 . . . . A 18 ILE H . 34079 1 133 . 1 1 18 18 ILE HA H 1 3.887 0.020 . 1 . . . . A 18 ILE HA . 34079 1 134 . 1 1 18 18 ILE HB H 1 1.354 0.020 . 1 . . . . A 18 ILE HB . 34079 1 135 . 1 1 18 18 ILE HG12 H 1 0.612 0.020 . 1 . . . . A 18 ILE HG12 . 34079 1 136 . 1 1 18 18 ILE HG13 H 1 0.903 0.020 . 1 . . . . A 18 ILE HG13 . 34079 1 137 . 1 1 18 18 ILE HG21 H 1 0.425 0.020 . 1 . . . . A 18 ILE HG21 . 34079 1 138 . 1 1 18 18 ILE HG22 H 1 0.425 0.020 . 1 . . . . A 18 ILE HG22 . 34079 1 139 . 1 1 18 18 ILE HG23 H 1 0.425 0.020 . 1 . . . . A 18 ILE HG23 . 34079 1 140 . 1 1 18 18 ILE HD11 H 1 0.008 0.020 . 1 . . . . A 18 ILE HD11 . 34079 1 141 . 1 1 18 18 ILE HD12 H 1 0.008 0.020 . 1 . . . . A 18 ILE HD12 . 34079 1 142 . 1 1 18 18 ILE HD13 H 1 0.008 0.020 . 1 . . . . A 18 ILE HD13 . 34079 1 143 . 1 1 18 18 ILE CA C 13 58.346 0.300 . 1 . . . . A 18 ILE CA . 34079 1 144 . 1 1 18 18 ILE CB C 13 35.986 0.300 . 1 . . . . A 18 ILE CB . 34079 1 145 . 1 1 18 18 ILE CG1 C 13 25.849 0.300 . 1 . . . . A 18 ILE CG1 . 34079 1 146 . 1 1 18 18 ILE CG2 C 13 19.160 0.300 . 1 . . . . A 18 ILE CG2 . 34079 1 147 . 1 1 18 18 ILE CD1 C 13 11.278 0.300 . 1 . . . . A 18 ILE CD1 . 34079 1 148 . 1 1 18 18 ILE N N 15 127.145 0.300 . 1 . . . . A 18 ILE N . 34079 1 149 . 1 1 19 19 GLY H H 1 7.935 0.020 . 1 . . . . A 19 GLY H . 34079 1 150 . 1 1 19 19 GLY HA2 H 1 3.281 0.020 . 1 . . . . A 19 GLY HA2 . 34079 1 151 . 1 1 19 19 GLY HA3 H 1 4.022 0.020 . 1 . . . . A 19 GLY HA3 . 34079 1 152 . 1 1 19 19 GLY CA C 13 43.849 0.300 . 1 . . . . A 19 GLY CA . 34079 1 153 . 1 1 19 19 GLY N N 15 111.987 0.300 . 1 . . . . A 19 GLY N . 34079 1 154 . 1 1 20 20 GLY H H 1 7.336 0.020 . 1 . . . . A 20 GLY H . 34079 1 155 . 1 1 20 20 GLY HA2 H 1 3.746 0.020 . 1 . . . . A 20 GLY HA2 . 34079 1 156 . 1 1 20 20 GLY HA3 H 1 3.796 0.020 . 1 . . . . A 20 GLY HA3 . 34079 1 157 . 1 1 20 20 GLY CA C 13 47.108 0.300 . 1 . . . . A 20 GLY CA . 34079 1 158 . 1 1 20 20 GLY N N 15 108.808 0.300 . 1 . . . . A 20 GLY N . 34079 1 159 . 1 1 21 21 LEU H H 1 7.371 0.020 . 1 . . . . A 21 LEU H . 34079 1 160 . 1 1 21 21 LEU HA H 1 3.937 0.020 . 1 . . . . A 21 LEU HA . 34079 1 161 . 1 1 21 21 LEU HB2 H 1 0.914 0.020 . 1 . . . . A 21 LEU HB2 . 34079 1 162 . 1 1 21 21 LEU HB3 H 1 1.220 0.020 . 1 . . . . A 21 LEU HB3 . 34079 1 163 . 1 1 21 21 LEU HG H 1 1.152 0.020 . 1 . . . . A 21 LEU HG . 34079 1 164 . 1 1 21 21 LEU HD11 H 1 0.509 0.020 . 2 . . . . A 21 LEU HD11 . 34079 1 165 . 1 1 21 21 LEU HD12 H 1 0.509 0.020 . 2 . . . . A 21 LEU HD12 . 34079 1 166 . 1 1 21 21 LEU HD13 H 1 0.509 0.020 . 2 . . . . A 21 LEU HD13 . 34079 1 167 . 1 1 21 21 LEU HD21 H 1 0.368 0.020 . 2 . . . . A 21 LEU HD21 . 34079 1 168 . 1 1 21 21 LEU HD22 H 1 0.368 0.020 . 2 . . . . A 21 LEU HD22 . 34079 1 169 . 1 1 21 21 LEU HD23 H 1 0.368 0.020 . 2 . . . . A 21 LEU HD23 . 34079 1 170 . 1 1 21 21 LEU CA C 13 54.066 0.300 . 1 . . . . A 21 LEU CA . 34079 1 171 . 1 1 21 21 LEU CB C 13 43.149 0.300 . 1 . . . . A 21 LEU CB . 34079 1 172 . 1 1 21 21 LEU CG C 13 26.914 0.300 . 1 . . . . A 21 LEU CG . 34079 1 173 . 1 1 21 21 LEU CD1 C 13 23.723 0.300 . 1 . . . . A 21 LEU CD1 . 34079 1 174 . 1 1 21 21 LEU CD2 C 13 26.848 0.300 . 1 . . . . A 21 LEU CD2 . 34079 1 175 . 1 1 21 21 LEU N N 15 115.075 0.300 . 1 . . . . A 21 LEU N . 34079 1 176 . 1 1 22 22 SER H H 1 9.183 0.020 . 1 . . . . A 22 SER H . 34079 1 177 . 1 1 22 22 SER HA H 1 4.157 0.020 . 1 . . . . A 22 SER HA . 34079 1 178 . 1 1 22 22 SER CA C 13 57.598 0.300 . 1 . . . . A 22 SER CA . 34079 1 179 . 1 1 22 22 SER N N 15 115.131 0.300 . 1 . . . . A 22 SER N . 34079 1 180 . 1 1 23 23 PHE H H 1 8.888 0.020 . 1 . . . . A 23 PHE H . 34079 1 181 . 1 1 23 23 PHE HA H 1 4.404 0.020 . 1 . . . . A 23 PHE HA . 34079 1 182 . 1 1 23 23 PHE HB2 H 1 3.141 0.020 . 2 . . . . A 23 PHE HB2 . 34079 1 183 . 1 1 23 23 PHE HB3 H 1 3.262 0.020 . 2 . . . . A 23 PHE HB3 . 34079 1 184 . 1 1 23 23 PHE HD1 H 1 7.203 0.020 . 1 . . . . A 23 PHE HD1 . 34079 1 185 . 1 1 23 23 PHE HD2 H 1 7.203 0.020 . 1 . . . . A 23 PHE HD2 . 34079 1 186 . 1 1 23 23 PHE HE1 H 1 7.243 0.020 . 1 . . . . A 23 PHE HE1 . 34079 1 187 . 1 1 23 23 PHE HE2 H 1 7.243 0.020 . 1 . . . . A 23 PHE HE2 . 34079 1 188 . 1 1 23 23 PHE HZ H 1 7.233 0.020 . 1 . . . . A 23 PHE HZ . 34079 1 189 . 1 1 23 23 PHE CA C 13 59.511 0.300 . 1 . . . . A 23 PHE CA . 34079 1 190 . 1 1 23 23 PHE CB C 13 37.683 0.300 . 1 . . . . A 23 PHE CB . 34079 1 191 . 1 1 23 23 PHE CD1 C 13 130.976 0.300 . 1 . . . . A 23 PHE CD1 . 34079 1 192 . 1 1 23 23 PHE CD2 C 13 130.976 0.300 . 1 . . . . A 23 PHE CD2 . 34079 1 193 . 1 1 23 23 PHE CE1 C 13 131.521 0.300 . 1 . . . . A 23 PHE CE1 . 34079 1 194 . 1 1 23 23 PHE CE2 C 13 131.521 0.300 . 1 . . . . A 23 PHE CE2 . 34079 1 195 . 1 1 23 23 PHE CZ C 13 130.233 0.300 . 1 . . . . A 23 PHE CZ . 34079 1 196 . 1 1 23 23 PHE N N 15 127.784 0.300 . 1 . . . . A 23 PHE N . 34079 1 197 . 1 1 24 24 GLU H H 1 8.220 0.020 . 1 . . . . A 24 GLU H . 34079 1 198 . 1 1 24 24 GLU HA H 1 4.181 0.020 . 1 . . . . A 24 GLU HA . 34079 1 199 . 1 1 24 24 GLU HB2 H 1 1.763 0.020 . 2 . . . . A 24 GLU HB2 . 34079 1 200 . 1 1 24 24 GLU HB3 H 1 1.763 0.020 . 2 . . . . A 24 GLU HB3 . 34079 1 201 . 1 1 24 24 GLU HG2 H 1 2.104 0.020 . 1 . . . . A 24 GLU HG2 . 34079 1 202 . 1 1 24 24 GLU HG3 H 1 2.040 0.020 . 1 . . . . A 24 GLU HG3 . 34079 1 203 . 1 1 24 24 GLU CA C 13 56.651 0.300 . 1 . . . . A 24 GLU CA . 34079 1 204 . 1 1 24 24 GLU CB C 13 29.969 0.300 . 1 . . . . A 24 GLU CB . 34079 1 205 . 1 1 24 24 GLU CG C 13 36.629 0.300 . 1 . . . . A 24 GLU CG . 34079 1 206 . 1 1 24 24 GLU N N 15 116.139 0.300 . 1 . . . . A 24 GLU N . 34079 1 207 . 1 1 25 25 THR H H 1 7.338 0.020 . 1 . . . . A 25 THR H . 34079 1 208 . 1 1 25 25 THR HA H 1 4.047 0.020 . 1 . . . . A 25 THR HA . 34079 1 209 . 1 1 25 25 THR HB H 1 3.933 0.020 . 1 . . . . A 25 THR HB . 34079 1 210 . 1 1 25 25 THR HG21 H 1 1.124 0.020 . 1 . . . . A 25 THR HG21 . 34079 1 211 . 1 1 25 25 THR HG22 H 1 1.124 0.020 . 1 . . . . A 25 THR HG22 . 34079 1 212 . 1 1 25 25 THR HG23 H 1 1.124 0.020 . 1 . . . . A 25 THR HG23 . 34079 1 213 . 1 1 25 25 THR CA C 13 64.810 0.300 . 1 . . . . A 25 THR CA . 34079 1 214 . 1 1 25 25 THR CB C 13 68.427 0.300 . 1 . . . . A 25 THR CB . 34079 1 215 . 1 1 25 25 THR CG2 C 13 23.592 0.300 . 1 . . . . A 25 THR CG2 . 34079 1 216 . 1 1 25 25 THR N N 15 118.946 0.300 . 1 . . . . A 25 THR N . 34079 1 217 . 1 1 26 26 THR H H 1 8.399 0.020 . 1 . . . . A 26 THR H . 34079 1 218 . 1 1 26 26 THR HA H 1 4.492 0.020 . 1 . . . . A 26 THR HA . 34079 1 219 . 1 1 26 26 THR HG21 H 1 1.261 0.020 . 1 . . . . A 26 THR HG21 . 34079 1 220 . 1 1 26 26 THR HG22 H 1 1.261 0.020 . 1 . . . . A 26 THR HG22 . 34079 1 221 . 1 1 26 26 THR HG23 H 1 1.261 0.020 . 1 . . . . A 26 THR HG23 . 34079 1 222 . 1 1 26 26 THR CA C 13 59.199 0.300 . 1 . . . . A 26 THR CA . 34079 1 223 . 1 1 26 26 THR CG2 C 13 21.677 0.300 . 1 . . . . A 26 THR CG2 . 34079 1 224 . 1 1 26 26 THR N N 15 119.092 0.300 . 1 . . . . A 26 THR N . 34079 1 225 . 1 1 27 27 ASP H H 1 8.783 0.020 . 1 . . . . A 27 ASP H . 34079 1 226 . 1 1 27 27 ASP HA H 1 3.897 0.020 . 1 . . . . A 27 ASP HA . 34079 1 227 . 1 1 27 27 ASP HB2 H 1 2.603 0.020 . 2 . . . . A 27 ASP HB2 . 34079 1 228 . 1 1 27 27 ASP HB3 H 1 2.697 0.020 . 2 . . . . A 27 ASP HB3 . 34079 1 229 . 1 1 27 27 ASP CA C 13 58.253 0.300 . 1 . . . . A 27 ASP CA . 34079 1 230 . 1 1 27 27 ASP CB C 13 40.107 0.300 . 1 . . . . A 27 ASP CB . 34079 1 231 . 1 1 27 27 ASP N N 15 120.300 0.300 . 1 . . . . A 27 ASP N . 34079 1 232 . 1 1 28 28 GLU H H 1 8.371 0.020 . 1 . . . . A 28 GLU H . 34079 1 233 . 1 1 28 28 GLU HA H 1 3.990 0.020 . 1 . . . . A 28 GLU HA . 34079 1 234 . 1 1 28 28 GLU HB2 H 1 2.059 0.020 . 1 . . . . A 28 GLU HB2 . 34079 1 235 . 1 1 28 28 GLU HB3 H 1 1.930 0.020 . 1 . . . . A 28 GLU HB3 . 34079 1 236 . 1 1 28 28 GLU HG2 H 1 2.264 0.020 . 1 . . . . A 28 GLU HG2 . 34079 1 237 . 1 1 28 28 GLU HG3 H 1 2.399 0.020 . 1 . . . . A 28 GLU HG3 . 34079 1 238 . 1 1 28 28 GLU CA C 13 60.121 0.300 . 1 . . . . A 28 GLU CA . 34079 1 239 . 1 1 28 28 GLU CB C 13 29.310 0.300 . 1 . . . . A 28 GLU CB . 34079 1 240 . 1 1 28 28 GLU CG C 13 37.013 0.300 . 1 . . . . A 28 GLU CG . 34079 1 241 . 1 1 28 28 GLU N N 15 116.536 0.300 . 1 . . . . A 28 GLU N . 34079 1 242 . 1 1 29 29 SER H H 1 8.328 0.020 . 1 . . . . A 29 SER H . 34079 1 243 . 1 1 29 29 SER HA H 1 4.334 0.020 . 1 . . . . A 29 SER HA . 34079 1 244 . 1 1 29 29 SER CA C 13 61.524 0.300 . 1 . . . . A 29 SER CA . 34079 1 245 . 1 1 29 29 SER N N 15 120.517 0.300 . 1 . . . . A 29 SER N . 34079 1 246 . 1 1 30 30 LEU H H 1 8.579 0.020 . 1 . . . . A 30 LEU H . 34079 1 247 . 1 1 30 30 LEU HA H 1 4.076 0.020 . 1 . . . . A 30 LEU HA . 34079 1 248 . 1 1 30 30 LEU HB2 H 1 1.664 0.020 . 1 . . . . A 30 LEU HB2 . 34079 1 249 . 1 1 30 30 LEU HB3 H 1 1.090 0.020 . 1 . . . . A 30 LEU HB3 . 34079 1 250 . 1 1 30 30 LEU HG H 1 2.198 0.020 . 1 . . . . A 30 LEU HG . 34079 1 251 . 1 1 30 30 LEU HD11 H 1 0.487 0.020 . 2 . . . . A 30 LEU HD11 . 34079 1 252 . 1 1 30 30 LEU HD12 H 1 0.487 0.020 . 2 . . . . A 30 LEU HD12 . 34079 1 253 . 1 1 30 30 LEU HD13 H 1 0.487 0.020 . 2 . . . . A 30 LEU HD13 . 34079 1 254 . 1 1 30 30 LEU HD21 H 1 0.855 0.020 . 2 . . . . A 30 LEU HD21 . 34079 1 255 . 1 1 30 30 LEU HD22 H 1 0.855 0.020 . 2 . . . . A 30 LEU HD22 . 34079 1 256 . 1 1 30 30 LEU HD23 H 1 0.855 0.020 . 2 . . . . A 30 LEU HD23 . 34079 1 257 . 1 1 30 30 LEU CA C 13 57.961 0.300 . 1 . . . . A 30 LEU CA . 34079 1 258 . 1 1 30 30 LEU CB C 13 42.513 0.300 . 1 . . . . A 30 LEU CB . 34079 1 259 . 1 1 30 30 LEU CG C 13 26.457 0.300 . 1 . . . . A 30 LEU CG . 34079 1 260 . 1 1 30 30 LEU CD1 C 13 26.201 0.300 . 1 . . . . A 30 LEU CD1 . 34079 1 261 . 1 1 30 30 LEU CD2 C 13 25.100 0.300 . 1 . . . . A 30 LEU CD2 . 34079 1 262 . 1 1 30 30 LEU N N 15 127.053 0.300 . 1 . . . . A 30 LEU N . 34079 1 263 . 1 1 31 31 ARG H H 1 7.938 0.020 . 1 . . . . A 31 ARG H . 34079 1 264 . 1 1 31 31 ARG HA H 1 3.838 0.020 . 1 . . . . A 31 ARG HA . 34079 1 265 . 1 1 31 31 ARG HB2 H 1 1.895 0.020 . 1 . . . . A 31 ARG HB2 . 34079 1 266 . 1 1 31 31 ARG HB3 H 1 2.229 0.020 . 1 . . . . A 31 ARG HB3 . 34079 1 267 . 1 1 31 31 ARG HG2 H 1 1.397 0.020 . 2 . . . . A 31 ARG HG2 . 34079 1 268 . 1 1 31 31 ARG HG3 H 1 1.397 0.020 . 2 . . . . A 31 ARG HG3 . 34079 1 269 . 1 1 31 31 ARG HD2 H 1 3.392 0.020 . 2 . . . . A 31 ARG HD2 . 34079 1 270 . 1 1 31 31 ARG HD3 H 1 3.059 0.020 . 2 . . . . A 31 ARG HD3 . 34079 1 271 . 1 1 31 31 ARG HE H 1 7.678 0.020 . 1 . . . . A 31 ARG HE . 34079 1 272 . 1 1 31 31 ARG CA C 13 59.617 0.300 . 1 . . . . A 31 ARG CA . 34079 1 273 . 1 1 31 31 ARG CB C 13 30.590 0.300 . 1 . . . . A 31 ARG CB . 34079 1 274 . 1 1 31 31 ARG CG C 13 27.909 0.300 . 1 . . . . A 31 ARG CG . 34079 1 275 . 1 1 31 31 ARG CD C 13 43.494 0.300 . 1 . . . . A 31 ARG CD . 34079 1 276 . 1 1 31 31 ARG N N 15 120.869 0.300 . 1 . . . . A 31 ARG N . 34079 1 277 . 1 1 31 31 ARG NE N 15 84.354 0.300 . 1 . . . . A 31 ARG NE . 34079 1 278 . 1 1 32 32 SER H H 1 8.282 0.020 . 1 . . . . A 32 SER H . 34079 1 279 . 1 1 32 32 SER HA H 1 4.102 0.020 . 1 . . . . A 32 SER HA . 34079 1 280 . 1 1 32 32 SER HB2 H 1 3.935 0.020 . 2 . . . . A 32 SER HB2 . 34079 1 281 . 1 1 32 32 SER HB3 H 1 3.935 0.020 . 2 . . . . A 32 SER HB3 . 34079 1 282 . 1 1 32 32 SER CA C 13 61.427 0.300 . 1 . . . . A 32 SER CA . 34079 1 283 . 1 1 32 32 SER CB C 13 62.976 0.300 . 1 . . . . A 32 SER CB . 34079 1 284 . 1 1 32 32 SER N N 15 112.706 0.300 . 1 . . . . A 32 SER N . 34079 1 285 . 1 1 33 33 HIS H H 1 7.423 0.020 . 1 . . . . A 33 HIS H . 34079 1 286 . 1 1 33 33 HIS HA H 1 4.331 0.020 . 1 . . . . A 33 HIS HA . 34079 1 287 . 1 1 33 33 HIS HB2 H 1 3.073 0.020 . 2 . . . . A 33 HIS HB2 . 34079 1 288 . 1 1 33 33 HIS HB3 H 1 3.073 0.020 . 2 . . . . A 33 HIS HB3 . 34079 1 289 . 1 1 33 33 HIS CA C 13 60.472 0.300 . 1 . . . . A 33 HIS CA . 34079 1 290 . 1 1 33 33 HIS CB C 13 30.796 0.300 . 1 . . . . A 33 HIS CB . 34079 1 291 . 1 1 33 33 HIS N N 15 115.850 0.300 . 1 . . . . A 33 HIS N . 34079 1 292 . 1 1 34 34 PHE H H 1 8.248 0.020 . 1 . . . . A 34 PHE H . 34079 1 293 . 1 1 34 34 PHE HA H 1 4.519 0.020 . 1 . . . . A 34 PHE HA . 34079 1 294 . 1 1 34 34 PHE HB2 H 1 2.784 0.020 . 1 . . . . A 34 PHE HB2 . 34079 1 295 . 1 1 34 34 PHE HB3 H 1 3.632 0.020 . 1 . . . . A 34 PHE HB3 . 34079 1 296 . 1 1 34 34 PHE HD1 H 1 7.770 0.020 . 1 . . . . A 34 PHE HD1 . 34079 1 297 . 1 1 34 34 PHE HD2 H 1 7.770 0.020 . 1 . . . . A 34 PHE HD2 . 34079 1 298 . 1 1 34 34 PHE HE1 H 1 6.362 0.020 . 1 . . . . A 34 PHE HE1 . 34079 1 299 . 1 1 34 34 PHE HE2 H 1 6.362 0.020 . 1 . . . . A 34 PHE HE2 . 34079 1 300 . 1 1 34 34 PHE HZ H 1 6.360 0.020 . 1 . . . . A 34 PHE HZ . 34079 1 301 . 1 1 34 34 PHE CA C 13 64.144 0.300 . 1 . . . . A 34 PHE CA . 34079 1 302 . 1 1 34 34 PHE CB C 13 38.359 0.300 . 1 . . . . A 34 PHE CB . 34079 1 303 . 1 1 34 34 PHE CD1 C 13 132.363 0.300 . 1 . . . . A 34 PHE CD1 . 34079 1 304 . 1 1 34 34 PHE CD2 C 13 132.363 0.300 . 1 . . . . A 34 PHE CD2 . 34079 1 305 . 1 1 34 34 PHE CE1 C 13 130.480 0.300 . 1 . . . . A 34 PHE CE1 . 34079 1 306 . 1 1 34 34 PHE CE2 C 13 130.480 0.300 . 1 . . . . A 34 PHE CE2 . 34079 1 307 . 1 1 34 34 PHE CZ C 13 128.283 0.300 . 1 . . . . A 34 PHE CZ . 34079 1 308 . 1 1 34 34 PHE N N 15 113.604 0.300 . 1 . . . . A 34 PHE N . 34079 1 309 . 1 1 35 35 GLU H H 1 9.218 0.020 . 1 . . . . A 35 GLU H . 34079 1 310 . 1 1 35 35 GLU HA H 1 4.980 0.020 . 1 . . . . A 35 GLU HA . 34079 1 311 . 1 1 35 35 GLU HB2 H 1 2.131 0.020 . 2 . . . . A 35 GLU HB2 . 34079 1 312 . 1 1 35 35 GLU HB3 H 1 2.131 0.020 . 2 . . . . A 35 GLU HB3 . 34079 1 313 . 1 1 35 35 GLU HG2 H 1 2.415 0.020 . 1 . . . . A 35 GLU HG2 . 34079 1 314 . 1 1 35 35 GLU HG3 H 1 2.547 0.020 . 1 . . . . A 35 GLU HG3 . 34079 1 315 . 1 1 35 35 GLU CA C 13 57.958 0.300 . 1 . . . . A 35 GLU CA . 34079 1 316 . 1 1 35 35 GLU CB C 13 28.693 0.300 . 1 . . . . A 35 GLU CB . 34079 1 317 . 1 1 35 35 GLU CG C 13 37.130 0.300 . 1 . . . . A 35 GLU CG . 34079 1 318 . 1 1 35 35 GLU N N 15 124.454 0.300 . 1 . . . . A 35 GLU N . 34079 1 319 . 1 1 36 36 GLN H H 1 7.033 0.020 . 1 . . . . A 36 GLN H . 34079 1 320 . 1 1 36 36 GLN HA H 1 3.711 0.020 . 1 . . . . A 36 GLN HA . 34079 1 321 . 1 1 36 36 GLN HB2 H 1 0.500 0.020 . 1 . . . . A 36 GLN HB2 . 34079 1 322 . 1 1 36 36 GLN HB3 H 1 0.718 0.020 . 1 . . . . A 36 GLN HB3 . 34079 1 323 . 1 1 36 36 GLN HG2 H 1 1.592 0.020 . 1 . . . . A 36 GLN HG2 . 34079 1 324 . 1 1 36 36 GLN HG3 H 1 2.075 0.020 . 1 . . . . A 36 GLN HG3 . 34079 1 325 . 1 1 36 36 GLN HE21 H 1 6.605 0.020 . 1 . . . . A 36 GLN HE21 . 34079 1 326 . 1 1 36 36 GLN HE22 H 1 7.033 0.020 . 1 . . . . A 36 GLN HE22 . 34079 1 327 . 1 1 36 36 GLN CA C 13 58.224 0.300 . 1 . . . . A 36 GLN CA . 34079 1 328 . 1 1 36 36 GLN CB C 13 27.727 0.300 . 1 . . . . A 36 GLN CB . 34079 1 329 . 1 1 36 36 GLN CG C 13 34.959 0.300 . 1 . . . . A 36 GLN CG . 34079 1 330 . 1 1 36 36 GLN N N 15 116.636 0.300 . 1 . . . . A 36 GLN N . 34079 1 331 . 1 1 36 36 GLN NE2 N 15 111.921 0.300 . 1 . . . . A 36 GLN NE2 . 34079 1 332 . 1 1 37 37 TRP H H 1 7.067 0.020 . 1 . . . . A 37 TRP H . 34079 1 333 . 1 1 37 37 TRP HA H 1 4.462 0.020 . 1 . . . . A 37 TRP HA . 34079 1 334 . 1 1 37 37 TRP HB2 H 1 3.553 0.020 . 1 . . . . A 37 TRP HB2 . 34079 1 335 . 1 1 37 37 TRP HB3 H 1 3.030 0.020 . 1 . . . . A 37 TRP HB3 . 34079 1 336 . 1 1 37 37 TRP HD1 H 1 7.113 0.020 . 1 . . . . A 37 TRP HD1 . 34079 1 337 . 1 1 37 37 TRP HE1 H 1 10.062 0.020 . 1 . . . . A 37 TRP HE1 . 34079 1 338 . 1 1 37 37 TRP HE3 H 1 7.555 0.020 . 1 . . . . A 37 TRP HE3 . 34079 1 339 . 1 1 37 37 TRP HZ2 H 1 7.314 0.020 . 1 . . . . A 37 TRP HZ2 . 34079 1 340 . 1 1 37 37 TRP HZ3 H 1 6.072 0.020 . 1 . . . . A 37 TRP HZ3 . 34079 1 341 . 1 1 37 37 TRP HH2 H 1 6.806 0.020 . 1 . . . . A 37 TRP HH2 . 34079 1 342 . 1 1 37 37 TRP CA C 13 61.623 0.300 . 1 . . . . A 37 TRP CA . 34079 1 343 . 1 1 37 37 TRP CB C 13 29.090 0.300 . 1 . . . . A 37 TRP CB . 34079 1 344 . 1 1 37 37 TRP CD1 C 13 126.104 0.300 . 1 . . . . A 37 TRP CD1 . 34079 1 345 . 1 1 37 37 TRP CE3 C 13 119.181 0.300 . 1 . . . . A 37 TRP CE3 . 34079 1 346 . 1 1 37 37 TRP CZ2 C 13 115.120 0.300 . 1 . . . . A 37 TRP CZ2 . 34079 1 347 . 1 1 37 37 TRP CZ3 C 13 123.200 0.300 . 1 . . . . A 37 TRP CZ3 . 34079 1 348 . 1 1 37 37 TRP CH2 C 13 124.279 0.300 . 1 . . . . A 37 TRP CH2 . 34079 1 349 . 1 1 37 37 TRP N N 15 115.021 0.300 . 1 . . . . A 37 TRP N . 34079 1 350 . 1 1 37 37 TRP NE1 N 15 130.835 0.300 . 1 . . . . A 37 TRP NE1 . 34079 1 351 . 1 1 38 38 GLY H H 1 7.306 0.020 . 1 . . . . A 38 GLY H . 34079 1 352 . 1 1 38 38 GLY HA2 H 1 4.580 0.020 . 2 . . . . A 38 GLY HA2 . 34079 1 353 . 1 1 38 38 GLY HA3 H 1 3.832 0.020 . 2 . . . . A 38 GLY HA3 . 34079 1 354 . 1 1 38 38 GLY CA C 13 45.575 0.300 . 1 . . . . A 38 GLY CA . 34079 1 355 . 1 1 38 38 GLY N N 15 105.126 0.300 . 1 . . . . A 38 GLY N . 34079 1 356 . 1 1 39 39 THR H H 1 8.756 0.020 . 1 . . . . A 39 THR H . 34079 1 357 . 1 1 39 39 THR HA H 1 4.249 0.020 . 1 . . . . A 39 THR HA . 34079 1 358 . 1 1 39 39 THR HB H 1 4.180 0.020 . 1 . . . . A 39 THR HB . 34079 1 359 . 1 1 39 39 THR HG21 H 1 1.139 0.020 . 1 . . . . A 39 THR HG21 . 34079 1 360 . 1 1 39 39 THR HG22 H 1 1.139 0.020 . 1 . . . . A 39 THR HG22 . 34079 1 361 . 1 1 39 39 THR HG23 H 1 1.139 0.020 . 1 . . . . A 39 THR HG23 . 34079 1 362 . 1 1 39 39 THR CA C 13 62.838 0.300 . 1 . . . . A 39 THR CA . 34079 1 363 . 1 1 39 39 THR CB C 13 69.862 0.300 . 1 . . . . A 39 THR CB . 34079 1 364 . 1 1 39 39 THR CG2 C 13 21.526 0.300 . 1 . . . . A 39 THR CG2 . 34079 1 365 . 1 1 39 39 THR N N 15 117.128 0.300 . 1 . . . . A 39 THR N . 34079 1 366 . 1 1 40 40 LEU H H 1 8.833 0.020 . 1 . . . . A 40 LEU H . 34079 1 367 . 1 1 40 40 LEU HA H 1 5.017 0.020 . 1 . . . . A 40 LEU HA . 34079 1 368 . 1 1 40 40 LEU HB2 H 1 1.671 0.020 . 1 . . . . A 40 LEU HB2 . 34079 1 369 . 1 1 40 40 LEU HB3 H 1 1.145 0.020 . 1 . . . . A 40 LEU HB3 . 34079 1 370 . 1 1 40 40 LEU HG H 1 1.503 0.020 . 1 . . . . A 40 LEU HG . 34079 1 371 . 1 1 40 40 LEU HD11 H 1 0.810 0.020 . 2 . . . . A 40 LEU HD11 . 34079 1 372 . 1 1 40 40 LEU HD12 H 1 0.810 0.020 . 2 . . . . A 40 LEU HD12 . 34079 1 373 . 1 1 40 40 LEU HD13 H 1 0.810 0.020 . 2 . . . . A 40 LEU HD13 . 34079 1 374 . 1 1 40 40 LEU HD21 H 1 0.115 0.020 . 2 . . . . A 40 LEU HD21 . 34079 1 375 . 1 1 40 40 LEU HD22 H 1 0.115 0.020 . 2 . . . . A 40 LEU HD22 . 34079 1 376 . 1 1 40 40 LEU HD23 H 1 0.115 0.020 . 2 . . . . A 40 LEU HD23 . 34079 1 377 . 1 1 40 40 LEU CA C 13 53.052 0.300 . 1 . . . . A 40 LEU CA . 34079 1 378 . 1 1 40 40 LEU CB C 13 41.978 0.300 . 1 . . . . A 40 LEU CB . 34079 1 379 . 1 1 40 40 LEU CG C 13 26.880 0.300 . 1 . . . . A 40 LEU CG . 34079 1 380 . 1 1 40 40 LEU CD1 C 13 28.020 0.300 . 1 . . . . A 40 LEU CD1 . 34079 1 381 . 1 1 40 40 LEU CD2 C 13 24.494 0.300 . 1 . . . . A 40 LEU CD2 . 34079 1 382 . 1 1 40 40 LEU N N 15 126.491 0.300 . 1 . . . . A 40 LEU N . 34079 1 383 . 1 1 41 41 THR H H 1 9.003 0.020 . 1 . . . . A 41 THR H . 34079 1 384 . 1 1 41 41 THR HA H 1 4.242 0.020 . 1 . . . . A 41 THR HA . 34079 1 385 . 1 1 41 41 THR HB H 1 4.251 0.020 . 1 . . . . A 41 THR HB . 34079 1 386 . 1 1 41 41 THR HG21 H 1 0.992 0.020 . 1 . . . . A 41 THR HG21 . 34079 1 387 . 1 1 41 41 THR HG22 H 1 0.992 0.020 . 1 . . . . A 41 THR HG22 . 34079 1 388 . 1 1 41 41 THR HG23 H 1 0.992 0.020 . 1 . . . . A 41 THR HG23 . 34079 1 389 . 1 1 41 41 THR CA C 13 62.358 0.300 . 1 . . . . A 41 THR CA . 34079 1 390 . 1 1 41 41 THR CB C 13 67.661 0.300 . 1 . . . . A 41 THR CB . 34079 1 391 . 1 1 41 41 THR CG2 C 13 21.472 0.300 . 1 . . . . A 41 THR CG2 . 34079 1 392 . 1 1 41 41 THR N N 15 116.574 0.300 . 1 . . . . A 41 THR N . 34079 1 393 . 1 1 42 42 ASP H H 1 7.542 0.020 . 1 . . . . A 42 ASP H . 34079 1 394 . 1 1 42 42 ASP HA H 1 4.630 0.020 . 1 . . . . A 42 ASP HA . 34079 1 395 . 1 1 42 42 ASP HB2 H 1 2.858 0.020 . 1 . . . . A 42 ASP HB2 . 34079 1 396 . 1 1 42 42 ASP HB3 H 1 2.373 0.020 . 1 . . . . A 42 ASP HB3 . 34079 1 397 . 1 1 42 42 ASP CA C 13 54.371 0.300 . 1 . . . . A 42 ASP CA . 34079 1 398 . 1 1 42 42 ASP CB C 13 43.837 0.300 . 1 . . . . A 42 ASP CB . 34079 1 399 . 1 1 42 42 ASP N N 15 118.857 0.300 . 1 . . . . A 42 ASP N . 34079 1 400 . 1 1 43 43 CYS H H 1 8.093 0.020 . 1 . . . . A 43 CYS H . 34079 1 401 . 1 1 43 43 CYS HA H 1 4.976 0.020 . 1 . . . . A 43 CYS HA . 34079 1 402 . 1 1 43 43 CYS HB2 H 1 2.726 0.020 . 2 . . . . A 43 CYS HB2 . 34079 1 403 . 1 1 43 43 CYS HB3 H 1 2.767 0.020 . 2 . . . . A 43 CYS HB3 . 34079 1 404 . 1 1 43 43 CYS CA C 13 59.139 0.300 . 1 . . . . A 43 CYS CA . 34079 1 405 . 1 1 43 43 CYS CB C 13 26.613 0.300 . 1 . . . . A 43 CYS CB . 34079 1 406 . 1 1 43 43 CYS N N 15 124.120 0.300 . 1 . . . . A 43 CYS N . 34079 1 407 . 1 1 44 44 VAL H H 1 8.888 0.020 . 1 . . . . A 44 VAL H . 34079 1 408 . 1 1 44 44 VAL HA H 1 4.620 0.020 . 1 . . . . A 44 VAL HA . 34079 1 409 . 1 1 44 44 VAL HB H 1 2.083 0.020 . 1 . . . . A 44 VAL HB . 34079 1 410 . 1 1 44 44 VAL HG11 H 1 0.622 0.020 . 2 . . . . A 44 VAL HG11 . 34079 1 411 . 1 1 44 44 VAL HG12 H 1 0.622 0.020 . 2 . . . . A 44 VAL HG12 . 34079 1 412 . 1 1 44 44 VAL HG13 H 1 0.622 0.020 . 2 . . . . A 44 VAL HG13 . 34079 1 413 . 1 1 44 44 VAL HG21 H 1 0.829 0.020 . 2 . . . . A 44 VAL HG21 . 34079 1 414 . 1 1 44 44 VAL HG22 H 1 0.829 0.020 . 2 . . . . A 44 VAL HG22 . 34079 1 415 . 1 1 44 44 VAL HG23 H 1 0.829 0.020 . 2 . . . . A 44 VAL HG23 . 34079 1 416 . 1 1 44 44 VAL CA C 13 59.830 0.300 . 1 . . . . A 44 VAL CA . 34079 1 417 . 1 1 44 44 VAL CB C 13 35.712 0.300 . 1 . . . . A 44 VAL CB . 34079 1 418 . 1 1 44 44 VAL CG1 C 13 19.387 0.300 . 1 . . . . A 44 VAL CG1 . 34079 1 419 . 1 1 44 44 VAL CG2 C 13 21.463 0.300 . 1 . . . . A 44 VAL CG2 . 34079 1 420 . 1 1 44 44 VAL N N 15 127.784 0.300 . 1 . . . . A 44 VAL N . 34079 1 421 . 1 1 45 45 VAL H H 1 8.197 0.020 . 1 . . . . A 45 VAL H . 34079 1 422 . 1 1 45 45 VAL HA H 1 3.544 0.020 . 1 . . . . A 45 VAL HA . 34079 1 423 . 1 1 45 45 VAL HB H 1 1.722 0.020 . 1 . . . . A 45 VAL HB . 34079 1 424 . 1 1 45 45 VAL HG11 H 1 0.593 0.020 . 2 . . . . A 45 VAL HG11 . 34079 1 425 . 1 1 45 45 VAL HG12 H 1 0.593 0.020 . 2 . . . . A 45 VAL HG12 . 34079 1 426 . 1 1 45 45 VAL HG13 H 1 0.593 0.020 . 2 . . . . A 45 VAL HG13 . 34079 1 427 . 1 1 45 45 VAL HG21 H 1 0.447 0.020 . 2 . . . . A 45 VAL HG21 . 34079 1 428 . 1 1 45 45 VAL HG22 H 1 0.447 0.020 . 2 . . . . A 45 VAL HG22 . 34079 1 429 . 1 1 45 45 VAL HG23 H 1 0.447 0.020 . 2 . . . . A 45 VAL HG23 . 34079 1 430 . 1 1 45 45 VAL CA C 13 62.454 0.300 . 1 . . . . A 45 VAL CA . 34079 1 431 . 1 1 45 45 VAL CB C 13 33.059 0.300 . 1 . . . . A 45 VAL CB . 34079 1 432 . 1 1 45 45 VAL CG1 C 13 20.258 0.300 . 1 . . . . A 45 VAL CG1 . 34079 1 433 . 1 1 45 45 VAL CG2 C 13 22.836 0.300 . 1 . . . . A 45 VAL CG2 . 34079 1 434 . 1 1 45 45 VAL N N 15 126.113 0.300 . 1 . . . . A 45 VAL N . 34079 1 435 . 1 1 46 46 MET H H 1 8.089 0.020 . 1 . . . . A 46 MET H . 34079 1 436 . 1 1 46 46 MET HA H 1 4.316 0.020 . 1 . . . . A 46 MET HA . 34079 1 437 . 1 1 46 46 MET HB2 H 1 0.493 0.020 . 1 . . . . A 46 MET HB2 . 34079 1 438 . 1 1 46 46 MET HB3 H 1 1.158 0.020 . 1 . . . . A 46 MET HB3 . 34079 1 439 . 1 1 46 46 MET HG2 H 1 2.321 0.020 . 2 . . . . A 46 MET HG2 . 34079 1 440 . 1 1 46 46 MET HG3 H 1 1.961 0.020 . 2 . . . . A 46 MET HG3 . 34079 1 441 . 1 1 46 46 MET HE1 H 1 1.898 0.020 . 1 . . . . A 46 MET HE1 . 34079 1 442 . 1 1 46 46 MET HE2 H 1 1.898 0.020 . 1 . . . . A 46 MET HE2 . 34079 1 443 . 1 1 46 46 MET HE3 H 1 1.898 0.020 . 1 . . . . A 46 MET HE3 . 34079 1 444 . 1 1 46 46 MET CA C 13 54.756 0.300 . 1 . . . . A 46 MET CA . 34079 1 445 . 1 1 46 46 MET CB C 13 29.975 0.300 . 1 . . . . A 46 MET CB . 34079 1 446 . 1 1 46 46 MET CG C 13 34.311 0.300 . 1 . . . . A 46 MET CG . 34079 1 447 . 1 1 46 46 MET CE C 13 17.365 0.300 . 1 . . . . A 46 MET CE . 34079 1 448 . 1 1 46 46 MET N N 15 127.417 0.300 . 1 . . . . A 46 MET N . 34079 1 449 . 1 1 47 47 ARG H H 1 8.387 0.020 . 1 . . . . A 47 ARG H . 34079 1 450 . 1 1 47 47 ARG HA H 1 4.794 0.020 . 1 . . . . A 47 ARG HA . 34079 1 451 . 1 1 47 47 ARG HB2 H 1 1.175 0.020 . 1 . . . . A 47 ARG HB2 . 34079 1 452 . 1 1 47 47 ARG HB3 H 1 1.381 0.020 . 1 . . . . A 47 ARG HB3 . 34079 1 453 . 1 1 47 47 ARG HG2 H 1 1.415 0.020 . 2 . . . . A 47 ARG HG2 . 34079 1 454 . 1 1 47 47 ARG HG3 H 1 1.157 0.020 . 2 . . . . A 47 ARG HG3 . 34079 1 455 . 1 1 47 47 ARG HD2 H 1 3.025 0.020 . 2 . . . . A 47 ARG HD2 . 34079 1 456 . 1 1 47 47 ARG HD3 H 1 3.025 0.020 . 2 . . . . A 47 ARG HD3 . 34079 1 457 . 1 1 47 47 ARG CA C 13 54.301 0.300 . 1 . . . . A 47 ARG CA . 34079 1 458 . 1 1 47 47 ARG CB C 13 34.204 0.300 . 1 . . . . A 47 ARG CB . 34079 1 459 . 1 1 47 47 ARG CG C 13 27.765 0.300 . 1 . . . . A 47 ARG CG . 34079 1 460 . 1 1 47 47 ARG CD C 13 42.691 0.300 . 1 . . . . A 47 ARG CD . 34079 1 461 . 1 1 47 47 ARG N N 15 119.723 0.300 . 1 . . . . A 47 ARG N . 34079 1 462 . 1 1 48 48 ASP H H 1 8.627 0.020 . 1 . . . . A 48 ASP H . 34079 1 463 . 1 1 48 48 ASP HA H 1 4.747 0.020 . 1 . . . . A 48 ASP HA . 34079 1 464 . 1 1 48 48 ASP HB2 H 1 2.558 0.020 . 1 . . . . A 48 ASP HB2 . 34079 1 465 . 1 1 48 48 ASP HB3 H 1 2.964 0.020 . 1 . . . . A 48 ASP HB3 . 34079 1 466 . 1 1 48 48 ASP CA C 13 51.956 0.300 . 1 . . . . A 48 ASP CA . 34079 1 467 . 1 1 48 48 ASP CB C 13 42.988 0.300 . 1 . . . . A 48 ASP CB . 34079 1 468 . 1 1 48 48 ASP N N 15 125.403 0.300 . 1 . . . . A 48 ASP N . 34079 1 469 . 1 1 49 49 PRO HA H 1 4.330 0.020 . 1 . . . . A 49 PRO HA . 34079 1 470 . 1 1 49 49 PRO HB2 H 1 2.345 0.020 . 2 . . . . A 49 PRO HB2 . 34079 1 471 . 1 1 49 49 PRO HB3 H 1 2.345 0.020 . 2 . . . . A 49 PRO HB3 . 34079 1 472 . 1 1 49 49 PRO HG2 H 1 1.988 0.020 . 1 . . . . A 49 PRO HG2 . 34079 1 473 . 1 1 49 49 PRO HG3 H 1 2.103 0.020 . 1 . . . . A 49 PRO HG3 . 34079 1 474 . 1 1 49 49 PRO HD2 H 1 3.952 0.020 . 2 . . . . A 49 PRO HD2 . 34079 1 475 . 1 1 49 49 PRO HD3 H 1 3.952 0.020 . 2 . . . . A 49 PRO HD3 . 34079 1 476 . 1 1 49 49 PRO CA C 13 64.611 0.300 . 1 . . . . A 49 PRO CA . 34079 1 477 . 1 1 49 49 PRO CB C 13 31.998 0.300 . 1 . . . . A 49 PRO CB . 34079 1 478 . 1 1 49 49 PRO CG C 13 27.210 0.300 . 1 . . . . A 49 PRO CG . 34079 1 479 . 1 1 49 49 PRO CD C 13 51.058 0.300 . 1 . . . . A 49 PRO CD . 34079 1 480 . 1 1 50 50 ASN H H 1 8.552 0.020 . 1 . . . . A 50 ASN H . 34079 1 481 . 1 1 50 50 ASN HA H 1 4.746 0.020 . 1 . . . . A 50 ASN HA . 34079 1 482 . 1 1 50 50 ASN HB2 H 1 2.807 0.020 . 1 . . . . A 50 ASN HB2 . 34079 1 483 . 1 1 50 50 ASN HB3 H 1 2.960 0.020 . 1 . . . . A 50 ASN HB3 . 34079 1 484 . 1 1 50 50 ASN HD21 H 1 7.931 0.020 . 1 . . . . A 50 ASN HD21 . 34079 1 485 . 1 1 50 50 ASN HD22 H 1 7.067 0.020 . 1 . . . . A 50 ASN HD22 . 34079 1 486 . 1 1 50 50 ASN CA C 13 55.322 0.300 . 1 . . . . A 50 ASN CA . 34079 1 487 . 1 1 50 50 ASN CB C 13 39.621 0.300 . 1 . . . . A 50 ASN CB . 34079 1 488 . 1 1 50 50 ASN N N 15 115.419 0.300 . 1 . . . . A 50 ASN N . 34079 1 489 . 1 1 50 50 ASN ND2 N 15 115.059 0.300 . 1 . . . . A 50 ASN ND2 . 34079 1 490 . 1 1 51 51 THR H H 1 8.393 0.020 . 1 . . . . A 51 THR H . 34079 1 491 . 1 1 51 51 THR HA H 1 4.263 0.020 . 1 . . . . A 51 THR HA . 34079 1 492 . 1 1 51 51 THR HB H 1 4.312 0.020 . 1 . . . . A 51 THR HB . 34079 1 493 . 1 1 51 51 THR HG21 H 1 1.191 0.020 . 1 . . . . A 51 THR HG21 . 34079 1 494 . 1 1 51 51 THR HG22 H 1 1.191 0.020 . 1 . . . . A 51 THR HG22 . 34079 1 495 . 1 1 51 51 THR HG23 H 1 1.191 0.020 . 1 . . . . A 51 THR HG23 . 34079 1 496 . 1 1 51 51 THR CA C 13 62.167 0.300 . 1 . . . . A 51 THR CA . 34079 1 497 . 1 1 51 51 THR CB C 13 70.799 0.300 . 1 . . . . A 51 THR CB . 34079 1 498 . 1 1 51 51 THR CG2 C 13 21.011 0.300 . 1 . . . . A 51 THR CG2 . 34079 1 499 . 1 1 51 51 THR N N 15 108.952 0.300 . 1 . . . . A 51 THR N . 34079 1 500 . 1 1 52 52 LYS H H 1 8.121 0.020 . 1 . . . . A 52 LYS H . 34079 1 501 . 1 1 52 52 LYS HA H 1 3.940 0.020 . 1 . . . . A 52 LYS HA . 34079 1 502 . 1 1 52 52 LYS HB2 H 1 1.523 0.020 . 2 . . . . A 52 LYS HB2 . 34079 1 503 . 1 1 52 52 LYS HB3 H 1 1.523 0.020 . 2 . . . . A 52 LYS HB3 . 34079 1 504 . 1 1 52 52 LYS HG2 H 1 1.363 0.020 . 2 . . . . A 52 LYS HG2 . 34079 1 505 . 1 1 52 52 LYS HG3 H 1 1.231 0.020 . 2 . . . . A 52 LYS HG3 . 34079 1 506 . 1 1 52 52 LYS HD2 H 1 2.216 0.020 . 2 . . . . A 52 LYS HD2 . 34079 1 507 . 1 1 52 52 LYS HD3 H 1 1.994 0.020 . 2 . . . . A 52 LYS HD3 . 34079 1 508 . 1 1 52 52 LYS HE2 H 1 2.959 0.020 . 2 . . . . A 52 LYS HE2 . 34079 1 509 . 1 1 52 52 LYS HE3 H 1 2.959 0.020 . 2 . . . . A 52 LYS HE3 . 34079 1 510 . 1 1 52 52 LYS CA C 13 57.660 0.300 . 1 . . . . A 52 LYS CA . 34079 1 511 . 1 1 52 52 LYS CB C 13 29.464 0.300 . 1 . . . . A 52 LYS CB . 34079 1 512 . 1 1 52 52 LYS CG C 13 25.063 0.300 . 1 . . . . A 52 LYS CG . 34079 1 513 . 1 1 52 52 LYS CD C 13 28.746 0.300 . 1 . . . . A 52 LYS CD . 34079 1 514 . 1 1 52 52 LYS CE C 13 42.580 0.300 . 1 . . . . A 52 LYS CE . 34079 1 515 . 1 1 52 52 LYS N N 15 114.666 0.300 . 1 . . . . A 52 LYS N . 34079 1 516 . 1 1 53 53 ARG H H 1 7.860 0.020 . 1 . . . . A 53 ARG H . 34079 1 517 . 1 1 53 53 ARG HA H 1 4.151 0.020 . 1 . . . . A 53 ARG HA . 34079 1 518 . 1 1 53 53 ARG HB2 H 1 1.748 0.020 . 2 . . . . A 53 ARG HB2 . 34079 1 519 . 1 1 53 53 ARG HB3 H 1 1.748 0.020 . 2 . . . . A 53 ARG HB3 . 34079 1 520 . 1 1 53 53 ARG HD2 H 1 3.119 0.020 . 2 . . . . A 53 ARG HD2 . 34079 1 521 . 1 1 53 53 ARG HD3 H 1 3.119 0.020 . 2 . . . . A 53 ARG HD3 . 34079 1 522 . 1 1 53 53 ARG CA C 13 56.184 0.300 . 1 . . . . A 53 ARG CA . 34079 1 523 . 1 1 53 53 ARG CB C 13 30.915 0.300 . 1 . . . . A 53 ARG CB . 34079 1 524 . 1 1 53 53 ARG CD C 13 43.296 0.300 . 1 . . . . A 53 ARG CD . 34079 1 525 . 1 1 53 53 ARG N N 15 120.466 0.300 . 1 . . . . A 53 ARG N . 34079 1 526 . 1 1 54 54 SER H H 1 8.668 0.020 . 1 . . . . A 54 SER H . 34079 1 527 . 1 1 54 54 SER HA H 1 4.121 0.020 . 1 . . . . A 54 SER HA . 34079 1 528 . 1 1 54 54 SER HB2 H 1 3.683 0.020 . 2 . . . . A 54 SER HB2 . 34079 1 529 . 1 1 54 54 SER HB3 H 1 3.683 0.020 . 2 . . . . A 54 SER HB3 . 34079 1 530 . 1 1 54 54 SER CA C 13 58.714 0.300 . 1 . . . . A 54 SER CA . 34079 1 531 . 1 1 54 54 SER CB C 13 63.725 0.300 . 1 . . . . A 54 SER CB . 34079 1 532 . 1 1 54 54 SER N N 15 116.729 0.300 . 1 . . . . A 54 SER N . 34079 1 533 . 1 1 55 55 ARG H H 1 8.849 0.020 . 1 . . . . A 55 ARG H . 34079 1 534 . 1 1 55 55 ARG HA H 1 4.343 0.020 . 1 . . . . A 55 ARG HA . 34079 1 535 . 1 1 55 55 ARG HB2 H 1 2.498 0.020 . 1 . . . . A 55 ARG HB2 . 34079 1 536 . 1 1 55 55 ARG HB3 H 1 0.878 0.020 . 1 . . . . A 55 ARG HB3 . 34079 1 537 . 1 1 55 55 ARG HG2 H 1 1.532 0.020 . 2 . . . . A 55 ARG HG2 . 34079 1 538 . 1 1 55 55 ARG HG3 H 1 1.439 0.020 . 2 . . . . A 55 ARG HG3 . 34079 1 539 . 1 1 55 55 ARG HD2 H 1 2.684 0.020 . 2 . . . . A 55 ARG HD2 . 34079 1 540 . 1 1 55 55 ARG HD3 H 1 3.221 0.020 . 2 . . . . A 55 ARG HD3 . 34079 1 541 . 1 1 55 55 ARG CA C 13 56.350 0.300 . 1 . . . . A 55 ARG CA . 34079 1 542 . 1 1 55 55 ARG CB C 13 32.043 0.300 . 1 . . . . A 55 ARG CB . 34079 1 543 . 1 1 55 55 ARG CG C 13 27.683 0.300 . 1 . . . . A 55 ARG CG . 34079 1 544 . 1 1 55 55 ARG CD C 13 44.661 0.300 . 1 . . . . A 55 ARG CD . 34079 1 545 . 1 1 55 55 ARG N N 15 123.532 0.300 . 1 . . . . A 55 ARG N . 34079 1 546 . 1 1 56 56 GLY H H 1 9.173 0.020 . 1 . . . . A 56 GLY H . 34079 1 547 . 1 1 56 56 GLY HA2 H 1 4.358 0.020 . 1 . . . . A 56 GLY HA2 . 34079 1 548 . 1 1 56 56 GLY HA3 H 1 3.390 0.020 . 1 . . . . A 56 GLY HA3 . 34079 1 549 . 1 1 56 56 GLY CA C 13 46.063 0.300 . 1 . . . . A 56 GLY CA . 34079 1 550 . 1 1 56 56 GLY N N 15 106.586 0.300 . 1 . . . . A 56 GLY N . 34079 1 551 . 1 1 57 57 PHE H H 1 7.063 0.020 . 1 . . . . A 57 PHE H . 34079 1 552 . 1 1 57 57 PHE HA H 1 5.114 0.020 . 1 . . . . A 57 PHE HA . 34079 1 553 . 1 1 57 57 PHE HB2 H 1 2.082 0.020 . 2 . . . . A 57 PHE HB2 . 34079 1 554 . 1 1 57 57 PHE HB3 H 1 2.595 0.020 . 2 . . . . A 57 PHE HB3 . 34079 1 555 . 1 1 57 57 PHE HD1 H 1 6.533 0.020 . 1 . . . . A 57 PHE HD1 . 34079 1 556 . 1 1 57 57 PHE HD2 H 1 6.533 0.020 . 1 . . . . A 57 PHE HD2 . 34079 1 557 . 1 1 57 57 PHE HE1 H 1 7.195 0.020 . 1 . . . . A 57 PHE HE1 . 34079 1 558 . 1 1 57 57 PHE HE2 H 1 7.195 0.020 . 1 . . . . A 57 PHE HE2 . 34079 1 559 . 1 1 57 57 PHE CA C 13 54.551 0.300 . 1 . . . . A 57 PHE CA . 34079 1 560 . 1 1 57 57 PHE CB C 13 41.953 0.300 . 1 . . . . A 57 PHE CB . 34079 1 561 . 1 1 57 57 PHE CD1 C 13 128.268 0.300 . 1 . . . . A 57 PHE CD1 . 34079 1 562 . 1 1 57 57 PHE CD2 C 13 128.268 0.300 . 1 . . . . A 57 PHE CD2 . 34079 1 563 . 1 1 57 57 PHE CE1 C 13 131.056 0.300 . 1 . . . . A 57 PHE CE1 . 34079 1 564 . 1 1 57 57 PHE CE2 C 13 131.056 0.300 . 1 . . . . A 57 PHE CE2 . 34079 1 565 . 1 1 57 57 PHE N N 15 113.100 0.300 . 1 . . . . A 57 PHE N . 34079 1 566 . 1 1 58 58 GLY H H 1 7.799 0.020 . 1 . . . . A 58 GLY H . 34079 1 567 . 1 1 58 58 GLY HA2 H 1 3.740 0.020 . 2 . . . . A 58 GLY HA2 . 34079 1 568 . 1 1 58 58 GLY HA3 H 1 3.800 0.020 . 2 . . . . A 58 GLY HA3 . 34079 1 569 . 1 1 58 58 GLY CA C 13 44.679 0.300 . 1 . . . . A 58 GLY CA . 34079 1 570 . 1 1 58 58 GLY N N 15 106.544 0.300 . 1 . . . . A 58 GLY N . 34079 1 571 . 1 1 59 59 PHE H H 1 8.597 0.020 . 1 . . . . A 59 PHE H . 34079 1 572 . 1 1 59 59 PHE HA H 1 5.565 0.020 . 1 . . . . A 59 PHE HA . 34079 1 573 . 1 1 59 59 PHE HB2 H 1 2.712 0.020 . 1 . . . . A 59 PHE HB2 . 34079 1 574 . 1 1 59 59 PHE HB3 H 1 2.267 0.020 . 1 . . . . A 59 PHE HB3 . 34079 1 575 . 1 1 59 59 PHE HD1 H 1 6.707 0.020 . 1 . . . . A 59 PHE HD1 . 34079 1 576 . 1 1 59 59 PHE HD2 H 1 6.707 0.020 . 1 . . . . A 59 PHE HD2 . 34079 1 577 . 1 1 59 59 PHE HE1 H 1 7.012 0.020 . 1 . . . . A 59 PHE HE1 . 34079 1 578 . 1 1 59 59 PHE HE2 H 1 7.012 0.020 . 1 . . . . A 59 PHE HE2 . 34079 1 579 . 1 1 59 59 PHE HZ H 1 6.731 0.020 . 1 . . . . A 59 PHE HZ . 34079 1 580 . 1 1 59 59 PHE CA C 13 56.474 0.300 . 1 . . . . A 59 PHE CA . 34079 1 581 . 1 1 59 59 PHE CB C 13 44.662 0.300 . 1 . . . . A 59 PHE CB . 34079 1 582 . 1 1 59 59 PHE CD1 C 13 131.360 0.300 . 1 . . . . A 59 PHE CD1 . 34079 1 583 . 1 1 59 59 PHE CD2 C 13 131.360 0.300 . 1 . . . . A 59 PHE CD2 . 34079 1 584 . 1 1 59 59 PHE CE1 C 13 130.814 0.300 . 1 . . . . A 59 PHE CE1 . 34079 1 585 . 1 1 59 59 PHE CE2 C 13 130.752 0.300 . 1 . . . . A 59 PHE CE2 . 34079 1 586 . 1 1 59 59 PHE CZ C 13 128.225 0.300 . 1 . . . . A 59 PHE CZ . 34079 1 587 . 1 1 59 59 PHE N N 15 114.103 0.300 . 1 . . . . A 59 PHE N . 34079 1 588 . 1 1 60 60 VAL H H 1 8.440 0.020 . 1 . . . . A 60 VAL H . 34079 1 589 . 1 1 60 60 VAL HA H 1 4.512 0.020 . 1 . . . . A 60 VAL HA . 34079 1 590 . 1 1 60 60 VAL HB H 1 1.658 0.020 . 1 . . . . A 60 VAL HB . 34079 1 591 . 1 1 60 60 VAL HG11 H 1 0.247 0.020 . 2 . . . . A 60 VAL HG11 . 34079 1 592 . 1 1 60 60 VAL HG12 H 1 0.247 0.020 . 2 . . . . A 60 VAL HG12 . 34079 1 593 . 1 1 60 60 VAL HG13 H 1 0.247 0.020 . 2 . . . . A 60 VAL HG13 . 34079 1 594 . 1 1 60 60 VAL HG21 H 1 0.482 0.020 . 2 . . . . A 60 VAL HG21 . 34079 1 595 . 1 1 60 60 VAL HG22 H 1 0.482 0.020 . 2 . . . . A 60 VAL HG22 . 34079 1 596 . 1 1 60 60 VAL HG23 H 1 0.482 0.020 . 2 . . . . A 60 VAL HG23 . 34079 1 597 . 1 1 60 60 VAL CA C 13 59.475 0.300 . 1 . . . . A 60 VAL CA . 34079 1 598 . 1 1 60 60 VAL CB C 13 34.530 0.300 . 1 . . . . A 60 VAL CB . 34079 1 599 . 1 1 60 60 VAL CG1 C 13 19.751 0.300 . 1 . . . . A 60 VAL CG1 . 34079 1 600 . 1 1 60 60 VAL CG2 C 13 22.147 0.300 . 1 . . . . A 60 VAL CG2 . 34079 1 601 . 1 1 60 60 VAL N N 15 114.127 0.300 . 1 . . . . A 60 VAL N . 34079 1 602 . 1 1 61 61 THR H H 1 8.074 0.020 . 1 . . . . A 61 THR H . 34079 1 603 . 1 1 61 61 THR HA H 1 5.115 0.020 . 1 . . . . A 61 THR HA . 34079 1 604 . 1 1 61 61 THR HB H 1 3.735 0.020 . 1 . . . . A 61 THR HB . 34079 1 605 . 1 1 61 61 THR HG21 H 1 1.080 0.020 . 1 . . . . A 61 THR HG21 . 34079 1 606 . 1 1 61 61 THR HG22 H 1 1.080 0.020 . 1 . . . . A 61 THR HG22 . 34079 1 607 . 1 1 61 61 THR HG23 H 1 1.080 0.020 . 1 . . . . A 61 THR HG23 . 34079 1 608 . 1 1 61 61 THR CA C 13 61.055 0.300 . 1 . . . . A 61 THR CA . 34079 1 609 . 1 1 61 61 THR CB C 13 70.119 0.300 . 1 . . . . A 61 THR CB . 34079 1 610 . 1 1 61 61 THR CG2 C 13 22.525 0.300 . 1 . . . . A 61 THR CG2 . 34079 1 611 . 1 1 61 61 THR N N 15 119.640 0.300 . 1 . . . . A 61 THR N . 34079 1 612 . 1 1 62 62 TYR HA H 1 5.395 0.020 . 1 . . . . A 62 TYR HA . 34079 1 613 . 1 1 62 62 TYR HB2 H 1 2.799 0.020 . 1 . . . . A 62 TYR HB2 . 34079 1 614 . 1 1 62 62 TYR HB3 H 1 3.749 0.020 . 1 . . . . A 62 TYR HB3 . 34079 1 615 . 1 1 62 62 TYR HD1 H 1 6.925 0.020 . 1 . . . . A 62 TYR HD1 . 34079 1 616 . 1 1 62 62 TYR HD2 H 1 6.925 0.020 . 1 . . . . A 62 TYR HD2 . 34079 1 617 . 1 1 62 62 TYR HE1 H 1 6.444 0.020 . 1 . . . . A 62 TYR HE1 . 34079 1 618 . 1 1 62 62 TYR HE2 H 1 6.444 0.020 . 1 . . . . A 62 TYR HE2 . 34079 1 619 . 1 1 62 62 TYR CA C 13 58.215 0.300 . 1 . . . . A 62 TYR CA . 34079 1 620 . 1 1 62 62 TYR CB C 13 42.279 0.300 . 1 . . . . A 62 TYR CB . 34079 1 621 . 1 1 62 62 TYR CD1 C 13 133.132 0.300 . 1 . . . . A 62 TYR CD1 . 34079 1 622 . 1 1 62 62 TYR CD2 C 13 133.132 0.300 . 1 . . . . A 62 TYR CD2 . 34079 1 623 . 1 1 62 62 TYR CE1 C 13 117.846 0.300 . 1 . . . . A 62 TYR CE1 . 34079 1 624 . 1 1 62 62 TYR CE2 C 13 117.846 0.300 . 1 . . . . A 62 TYR CE2 . 34079 1 625 . 1 1 63 63 ALA H H 1 8.742 0.020 . 1 . . . . A 63 ALA H . 34079 1 626 . 1 1 63 63 ALA HA H 1 4.078 0.020 . 1 . . . . A 63 ALA HA . 34079 1 627 . 1 1 63 63 ALA HB1 H 1 1.669 0.020 . 1 . . . . A 63 ALA HB1 . 34079 1 628 . 1 1 63 63 ALA HB2 H 1 1.669 0.020 . 1 . . . . A 63 ALA HB2 . 34079 1 629 . 1 1 63 63 ALA HB3 H 1 1.669 0.020 . 1 . . . . A 63 ALA HB3 . 34079 1 630 . 1 1 63 63 ALA CA C 13 55.223 0.300 . 1 . . . . A 63 ALA CA . 34079 1 631 . 1 1 63 63 ALA CB C 13 19.091 0.300 . 1 . . . . A 63 ALA CB . 34079 1 632 . 1 1 63 63 ALA N N 15 121.462 0.300 . 1 . . . . A 63 ALA N . 34079 1 633 . 1 1 64 64 THR H H 1 7.974 0.020 . 1 . . . . A 64 THR H . 34079 1 634 . 1 1 64 64 THR HA H 1 4.923 0.020 . 1 . . . . A 64 THR HA . 34079 1 635 . 1 1 64 64 THR HB H 1 4.706 0.020 . 1 . . . . A 64 THR HB . 34079 1 636 . 1 1 64 64 THR HG21 H 1 1.215 0.020 . 1 . . . . A 64 THR HG21 . 34079 1 637 . 1 1 64 64 THR HG22 H 1 1.215 0.020 . 1 . . . . A 64 THR HG22 . 34079 1 638 . 1 1 64 64 THR HG23 H 1 1.215 0.020 . 1 . . . . A 64 THR HG23 . 34079 1 639 . 1 1 64 64 THR CA C 13 59.177 0.300 . 1 . . . . A 64 THR CA . 34079 1 640 . 1 1 64 64 THR CB C 13 73.198 0.300 . 1 . . . . A 64 THR CB . 34079 1 641 . 1 1 64 64 THR CG2 C 13 21.758 0.300 . 1 . . . . A 64 THR CG2 . 34079 1 642 . 1 1 64 64 THR N N 15 105.145 0.300 . 1 . . . . A 64 THR N . 34079 1 643 . 1 1 65 65 VAL H H 1 8.956 0.020 . 1 . . . . A 65 VAL H . 34079 1 644 . 1 1 65 65 VAL HA H 1 3.721 0.020 . 1 . . . . A 65 VAL HA . 34079 1 645 . 1 1 65 65 VAL HB H 1 2.047 0.020 . 1 . . . . A 65 VAL HB . 34079 1 646 . 1 1 65 65 VAL HG11 H 1 0.939 0.020 . 2 . . . . A 65 VAL HG11 . 34079 1 647 . 1 1 65 65 VAL HG12 H 1 0.939 0.020 . 2 . . . . A 65 VAL HG12 . 34079 1 648 . 1 1 65 65 VAL HG13 H 1 0.939 0.020 . 2 . . . . A 65 VAL HG13 . 34079 1 649 . 1 1 65 65 VAL CA C 13 65.424 0.300 . 1 . . . . A 65 VAL CA . 34079 1 650 . 1 1 65 65 VAL CB C 13 31.553 0.300 . 1 . . . . A 65 VAL CB . 34079 1 651 . 1 1 65 65 VAL CG1 C 13 22.461 0.300 . 1 . . . . A 65 VAL CG1 . 34079 1 652 . 1 1 65 65 VAL CG2 C 13 21.760 0.300 . 1 . . . . A 65 VAL CG2 . 34079 1 653 . 1 1 65 65 VAL N N 15 120.802 0.300 . 1 . . . . A 65 VAL N . 34079 1 654 . 1 1 66 66 GLU H H 1 8.672 0.020 . 1 . . . . A 66 GLU H . 34079 1 655 . 1 1 66 66 GLU HA H 1 4.059 0.020 . 1 . . . . A 66 GLU HA . 34079 1 656 . 1 1 66 66 GLU HB2 H 1 1.960 0.020 . 2 . . . . A 66 GLU HB2 . 34079 1 657 . 1 1 66 66 GLU HB3 H 1 2.105 0.020 . 2 . . . . A 66 GLU HB3 . 34079 1 658 . 1 1 66 66 GLU HG2 H 1 2.321 0.020 . 2 . . . . A 66 GLU HG2 . 34079 1 659 . 1 1 66 66 GLU HG3 H 1 2.417 0.020 . 2 . . . . A 66 GLU HG3 . 34079 1 660 . 1 1 66 66 GLU CA C 13 60.435 0.300 . 1 . . . . A 66 GLU CA . 34079 1 661 . 1 1 66 66 GLU CB C 13 28.828 0.300 . 1 . . . . A 66 GLU CB . 34079 1 662 . 1 1 66 66 GLU CG C 13 37.165 0.300 . 1 . . . . A 66 GLU CG . 34079 1 663 . 1 1 66 66 GLU N N 15 120.869 0.300 . 1 . . . . A 66 GLU N . 34079 1 664 . 1 1 67 67 GLU H H 1 7.515 0.020 . 1 . . . . A 67 GLU H . 34079 1 665 . 1 1 67 67 GLU HA H 1 3.849 0.020 . 1 . . . . A 67 GLU HA . 34079 1 666 . 1 1 67 67 GLU HB2 H 1 1.777 0.020 . 2 . . . . A 67 GLU HB2 . 34079 1 667 . 1 1 67 67 GLU HB3 H 1 1.777 0.020 . 2 . . . . A 67 GLU HB3 . 34079 1 668 . 1 1 67 67 GLU HG2 H 1 2.285 0.020 . 1 . . . . A 67 GLU HG2 . 34079 1 669 . 1 1 67 67 GLU HG3 H 1 2.658 0.020 . 1 . . . . A 67 GLU HG3 . 34079 1 670 . 1 1 67 67 GLU CA C 13 59.446 0.300 . 1 . . . . A 67 GLU CA . 34079 1 671 . 1 1 67 67 GLU CB C 13 29.539 0.300 . 1 . . . . A 67 GLU CB . 34079 1 672 . 1 1 67 67 GLU CG C 13 38.035 0.300 . 1 . . . . A 67 GLU CG . 34079 1 673 . 1 1 67 67 GLU N N 15 120.916 0.300 . 1 . . . . A 67 GLU N . 34079 1 674 . 1 1 68 68 VAL H H 1 6.887 0.020 . 1 . . . . A 68 VAL H . 34079 1 675 . 1 1 68 68 VAL HA H 1 3.205 0.020 . 1 . . . . A 68 VAL HA . 34079 1 676 . 1 1 68 68 VAL HB H 1 2.399 0.020 . 1 . . . . A 68 VAL HB . 34079 1 677 . 1 1 68 68 VAL HG11 H 1 1.240 0.020 . 2 . . . . A 68 VAL HG11 . 34079 1 678 . 1 1 68 68 VAL HG12 H 1 1.240 0.020 . 2 . . . . A 68 VAL HG12 . 34079 1 679 . 1 1 68 68 VAL HG13 H 1 1.240 0.020 . 2 . . . . A 68 VAL HG13 . 34079 1 680 . 1 1 68 68 VAL HG21 H 1 1.016 0.020 . 2 . . . . A 68 VAL HG21 . 34079 1 681 . 1 1 68 68 VAL HG22 H 1 1.016 0.020 . 2 . . . . A 68 VAL HG22 . 34079 1 682 . 1 1 68 68 VAL HG23 H 1 1.016 0.020 . 2 . . . . A 68 VAL HG23 . 34079 1 683 . 1 1 68 68 VAL CA C 13 66.353 0.300 . 1 . . . . A 68 VAL CA . 34079 1 684 . 1 1 68 68 VAL CB C 13 31.126 0.300 . 1 . . . . A 68 VAL CB . 34079 1 685 . 1 1 68 68 VAL CG1 C 13 24.521 0.300 . 1 . . . . A 68 VAL CG1 . 34079 1 686 . 1 1 68 68 VAL CG2 C 13 21.836 0.300 . 1 . . . . A 68 VAL CG2 . 34079 1 687 . 1 1 68 68 VAL N N 15 118.418 0.300 . 1 . . . . A 68 VAL N . 34079 1 688 . 1 1 69 69 ASP H H 1 8.074 0.020 . 1 . . . . A 69 ASP H . 34079 1 689 . 1 1 69 69 ASP HA H 1 4.178 0.020 . 1 . . . . A 69 ASP HA . 34079 1 690 . 1 1 69 69 ASP HB2 H 1 2.699 0.020 . 2 . . . . A 69 ASP HB2 . 34079 1 691 . 1 1 69 69 ASP HB3 H 1 2.509 0.020 . 2 . . . . A 69 ASP HB3 . 34079 1 692 . 1 1 69 69 ASP CA C 13 57.389 0.300 . 1 . . . . A 69 ASP CA . 34079 1 693 . 1 1 69 69 ASP CB C 13 39.960 0.300 . 1 . . . . A 69 ASP CB . 34079 1 694 . 1 1 69 69 ASP N N 15 119.640 0.300 . 1 . . . . A 69 ASP N . 34079 1 695 . 1 1 70 70 ALA H H 1 7.740 0.020 . 1 . . . . A 70 ALA H . 34079 1 696 . 1 1 70 70 ALA HA H 1 4.078 0.020 . 1 . . . . A 70 ALA HA . 34079 1 697 . 1 1 70 70 ALA HB1 H 1 1.711 0.020 . 1 . . . . A 70 ALA HB1 . 34079 1 698 . 1 1 70 70 ALA HB2 H 1 1.711 0.020 . 1 . . . . A 70 ALA HB2 . 34079 1 699 . 1 1 70 70 ALA HB3 H 1 1.711 0.020 . 1 . . . . A 70 ALA HB3 . 34079 1 700 . 1 1 70 70 ALA CA C 13 55.223 0.300 . 1 . . . . A 70 ALA CA . 34079 1 701 . 1 1 70 70 ALA CB C 13 18.078 0.300 . 1 . . . . A 70 ALA CB . 34079 1 702 . 1 1 70 70 ALA N N 15 123.070 0.300 . 1 . . . . A 70 ALA N . 34079 1 703 . 1 1 71 71 ALA H H 1 8.095 0.020 . 1 . . . . A 71 ALA H . 34079 1 704 . 1 1 71 71 ALA HA H 1 3.045 0.020 . 1 . . . . A 71 ALA HA . 34079 1 705 . 1 1 71 71 ALA HB1 H 1 1.384 0.020 . 1 . . . . A 71 ALA HB1 . 34079 1 706 . 1 1 71 71 ALA HB2 H 1 1.384 0.020 . 1 . . . . A 71 ALA HB2 . 34079 1 707 . 1 1 71 71 ALA HB3 H 1 1.384 0.020 . 1 . . . . A 71 ALA HB3 . 34079 1 708 . 1 1 71 71 ALA CA C 13 55.300 0.300 . 1 . . . . A 71 ALA CA . 34079 1 709 . 1 1 71 71 ALA CB C 13 17.870 0.300 . 1 . . . . A 71 ALA CB . 34079 1 710 . 1 1 71 71 ALA N N 15 121.446 0.300 . 1 . . . . A 71 ALA N . 34079 1 711 . 1 1 72 72 MET H H 1 8.718 0.020 . 1 . . . . A 72 MET H . 34079 1 712 . 1 1 72 72 MET HA H 1 4.324 0.020 . 1 . . . . A 72 MET HA . 34079 1 713 . 1 1 72 72 MET HB2 H 1 1.992 0.020 . 1 . . . . A 72 MET HB2 . 34079 1 714 . 1 1 72 72 MET HB3 H 1 2.240 0.020 . 1 . . . . A 72 MET HB3 . 34079 1 715 . 1 1 72 72 MET HG2 H 1 2.572 0.020 . 1 . . . . A 72 MET HG2 . 34079 1 716 . 1 1 72 72 MET HG3 H 1 2.454 0.020 . 1 . . . . A 72 MET HG3 . 34079 1 717 . 1 1 72 72 MET HE1 H 1 2.008 0.020 . 1 . . . . A 72 MET HE1 . 34079 1 718 . 1 1 72 72 MET HE2 H 1 2.008 0.020 . 1 . . . . A 72 MET HE2 . 34079 1 719 . 1 1 72 72 MET HE3 H 1 2.008 0.020 . 1 . . . . A 72 MET HE3 . 34079 1 720 . 1 1 72 72 MET CA C 13 56.913 0.300 . 1 . . . . A 72 MET CA . 34079 1 721 . 1 1 72 72 MET CB C 13 31.216 0.300 . 1 . . . . A 72 MET CB . 34079 1 722 . 1 1 72 72 MET CG C 13 33.524 0.300 . 1 . . . . A 72 MET CG . 34079 1 723 . 1 1 72 72 MET CE C 13 16.423 0.300 . 1 . . . . A 72 MET CE . 34079 1 724 . 1 1 72 72 MET N N 15 118.450 0.300 . 1 . . . . A 72 MET N . 34079 1 725 . 1 1 73 73 ASN H H 1 8.140 0.020 . 1 . . . . A 73 ASN H . 34079 1 726 . 1 1 73 73 ASN HA H 1 4.541 0.020 . 1 . . . . A 73 ASN HA . 34079 1 727 . 1 1 73 73 ASN HB2 H 1 2.784 0.020 . 2 . . . . A 73 ASN HB2 . 34079 1 728 . 1 1 73 73 ASN HB3 H 1 2.864 0.020 . 2 . . . . A 73 ASN HB3 . 34079 1 729 . 1 1 73 73 ASN HD21 H 1 6.862 0.020 . 2 . . . . A 73 ASN HD21 . 34079 1 730 . 1 1 73 73 ASN HD22 H 1 7.507 0.020 . 2 . . . . A 73 ASN HD22 . 34079 1 731 . 1 1 73 73 ASN CA C 13 54.848 0.300 . 1 . . . . A 73 ASN CA . 34079 1 732 . 1 1 73 73 ASN CB C 13 38.448 0.300 . 1 . . . . A 73 ASN CB . 34079 1 733 . 1 1 73 73 ASN N N 15 119.035 0.300 . 1 . . . . A 73 ASN N . 34079 1 734 . 1 1 73 73 ASN ND2 N 15 112.734 0.300 . 1 . . . . A 73 ASN ND2 . 34079 1 735 . 1 1 74 74 ALA H H 1 6.990 0.020 . 1 . . . . A 74 ALA H . 34079 1 736 . 1 1 74 74 ALA HA H 1 4.302 0.020 . 1 . . . . A 74 ALA HA . 34079 1 737 . 1 1 74 74 ALA HB1 H 1 0.882 0.020 . 1 . . . . A 74 ALA HB1 . 34079 1 738 . 1 1 74 74 ALA HB2 H 1 0.882 0.020 . 1 . . . . A 74 ALA HB2 . 34079 1 739 . 1 1 74 74 ALA HB3 H 1 0.882 0.020 . 1 . . . . A 74 ALA HB3 . 34079 1 740 . 1 1 74 74 ALA CA C 13 51.257 0.300 . 1 . . . . A 74 ALA CA . 34079 1 741 . 1 1 74 74 ALA CB C 13 18.848 0.300 . 1 . . . . A 74 ALA CB . 34079 1 742 . 1 1 74 74 ALA N N 15 122.267 0.300 . 1 . . . . A 74 ALA N . 34079 1 743 . 1 1 75 75 ARG H H 1 6.754 0.020 . 1 . . . . A 75 ARG H . 34079 1 744 . 1 1 75 75 ARG HA H 1 3.600 0.020 . 1 . . . . A 75 ARG HA . 34079 1 745 . 1 1 75 75 ARG CA C 13 55.232 0.300 . 1 . . . . A 75 ARG CA . 34079 1 746 . 1 1 75 75 ARG N N 15 116.831 0.300 . 1 . . . . A 75 ARG N . 34079 1 747 . 1 1 76 76 PRO HA H 1 4.462 0.020 . 1 . . . . A 76 PRO HA . 34079 1 748 . 1 1 76 76 PRO HB2 H 1 2.379 0.020 . 1 . . . . A 76 PRO HB2 . 34079 1 749 . 1 1 76 76 PRO HB3 H 1 1.852 0.020 . 1 . . . . A 76 PRO HB3 . 34079 1 750 . 1 1 76 76 PRO HD2 H 1 3.559 0.020 . 2 . . . . A 76 PRO HD2 . 34079 1 751 . 1 1 76 76 PRO HD3 H 1 3.445 0.020 . 2 . . . . A 76 PRO HD3 . 34079 1 752 . 1 1 76 76 PRO CA C 13 61.623 0.300 . 1 . . . . A 76 PRO CA . 34079 1 753 . 1 1 76 76 PRO CB C 13 35.002 0.300 . 1 . . . . A 76 PRO CB . 34079 1 754 . 1 1 76 76 PRO CD C 13 50.556 0.300 . 1 . . . . A 76 PRO CD . 34079 1 755 . 1 1 77 77 HIS H H 1 9.444 0.020 . 1 . . . . A 77 HIS H . 34079 1 756 . 1 1 77 77 HIS HA H 1 4.506 0.020 . 1 . . . . A 77 HIS HA . 34079 1 757 . 1 1 77 77 HIS HB2 H 1 2.767 0.020 . 1 . . . . A 77 HIS HB2 . 34079 1 758 . 1 1 77 77 HIS HB3 H 1 2.345 0.020 . 1 . . . . A 77 HIS HB3 . 34079 1 759 . 1 1 77 77 HIS HD2 H 1 6.707 0.020 . 1 . . . . A 77 HIS HD2 . 34079 1 760 . 1 1 77 77 HIS HE1 H 1 8.178 0.020 . 1 . . . . A 77 HIS HE1 . 34079 1 761 . 1 1 77 77 HIS CA C 13 56.355 0.300 . 1 . . . . A 77 HIS CA . 34079 1 762 . 1 1 77 77 HIS CB C 13 33.055 0.300 . 1 . . . . A 77 HIS CB . 34079 1 763 . 1 1 77 77 HIS CD2 C 13 115.818 0.300 . 1 . . . . A 77 HIS CD2 . 34079 1 764 . 1 1 77 77 HIS CE1 C 13 138.654 0.300 . 1 . . . . A 77 HIS CE1 . 34079 1 765 . 1 1 77 77 HIS N N 15 122.063 0.300 . 1 . . . . A 77 HIS N . 34079 1 766 . 1 1 78 78 LYS H H 1 8.503 0.020 . 1 . . . . A 78 LYS H . 34079 1 767 . 1 1 78 78 LYS HA H 1 4.845 0.020 . 1 . . . . A 78 LYS HA . 34079 1 768 . 1 1 78 78 LYS HB2 H 1 1.411 0.020 . 2 . . . . A 78 LYS HB2 . 34079 1 769 . 1 1 78 78 LYS HB3 H 1 1.608 0.020 . 2 . . . . A 78 LYS HB3 . 34079 1 770 . 1 1 78 78 LYS HG2 H 1 0.977 0.020 . 2 . . . . A 78 LYS HG2 . 34079 1 771 . 1 1 78 78 LYS HG3 H 1 0.977 0.020 . 2 . . . . A 78 LYS HG3 . 34079 1 772 . 1 1 78 78 LYS HD2 H 1 1.526 0.020 . 2 . . . . A 78 LYS HD2 . 34079 1 773 . 1 1 78 78 LYS HD3 H 1 1.526 0.020 . 2 . . . . A 78 LYS HD3 . 34079 1 774 . 1 1 78 78 LYS HE2 H 1 2.773 0.020 . 2 . . . . A 78 LYS HE2 . 34079 1 775 . 1 1 78 78 LYS HE3 H 1 2.773 0.020 . 2 . . . . A 78 LYS HE3 . 34079 1 776 . 1 1 78 78 LYS CA C 13 54.740 0.300 . 1 . . . . A 78 LYS CA . 34079 1 777 . 1 1 78 78 LYS CB C 13 33.421 0.300 . 1 . . . . A 78 LYS CB . 34079 1 778 . 1 1 78 78 LYS CG C 13 25.230 0.300 . 1 . . . . A 78 LYS CG . 34079 1 779 . 1 1 78 78 LYS CD C 13 29.470 0.300 . 1 . . . . A 78 LYS CD . 34079 1 780 . 1 1 78 78 LYS CE C 13 41.704 0.300 . 1 . . . . A 78 LYS CE . 34079 1 781 . 1 1 78 78 LYS N N 15 125.556 0.300 . 1 . . . . A 78 LYS N . 34079 1 782 . 1 1 79 79 VAL H H 1 8.542 0.020 . 1 . . . . A 79 VAL H . 34079 1 783 . 1 1 79 79 VAL HA H 1 3.920 0.020 . 1 . . . . A 79 VAL HA . 34079 1 784 . 1 1 79 79 VAL HB H 1 1.688 0.020 . 1 . . . . A 79 VAL HB . 34079 1 785 . 1 1 79 79 VAL HG11 H 1 0.636 0.020 . 2 . . . . A 79 VAL HG11 . 34079 1 786 . 1 1 79 79 VAL HG12 H 1 0.636 0.020 . 2 . . . . A 79 VAL HG12 . 34079 1 787 . 1 1 79 79 VAL HG13 H 1 0.636 0.020 . 2 . . . . A 79 VAL HG13 . 34079 1 788 . 1 1 79 79 VAL HG21 H 1 0.013 0.020 . 2 . . . . A 79 VAL HG21 . 34079 1 789 . 1 1 79 79 VAL HG22 H 1 0.013 0.020 . 2 . . . . A 79 VAL HG22 . 34079 1 790 . 1 1 79 79 VAL HG23 H 1 0.013 0.020 . 2 . . . . A 79 VAL HG23 . 34079 1 791 . 1 1 79 79 VAL CA C 13 60.736 0.300 . 1 . . . . A 79 VAL CA . 34079 1 792 . 1 1 79 79 VAL CB C 13 32.999 0.300 . 1 . . . . A 79 VAL CB . 34079 1 793 . 1 1 79 79 VAL CG1 C 13 21.149 0.300 . 1 . . . . A 79 VAL CG1 . 34079 1 794 . 1 1 79 79 VAL CG2 C 13 20.470 0.300 . 1 . . . . A 79 VAL CG2 . 34079 1 795 . 1 1 79 79 VAL N N 15 124.898 0.300 . 1 . . . . A 79 VAL N . 34079 1 796 . 1 1 80 80 ASP H H 1 9.520 0.020 . 1 . . . . A 80 ASP H . 34079 1 797 . 1 1 80 80 ASP HA H 1 4.191 0.020 . 1 . . . . A 80 ASP HA . 34079 1 798 . 1 1 80 80 ASP HB2 H 1 2.699 0.020 . 1 . . . . A 80 ASP HB2 . 34079 1 799 . 1 1 80 80 ASP HB3 H 1 2.439 0.020 . 1 . . . . A 80 ASP HB3 . 34079 1 800 . 1 1 80 80 ASP CA C 13 55.862 0.300 . 1 . . . . A 80 ASP CA . 34079 1 801 . 1 1 80 80 ASP CB C 13 39.662 0.300 . 1 . . . . A 80 ASP CB . 34079 1 802 . 1 1 80 80 ASP N N 15 128.304 0.300 . 1 . . . . A 80 ASP N . 34079 1 803 . 1 1 81 81 GLY H H 1 8.457 0.020 . 1 . . . . A 81 GLY H . 34079 1 804 . 1 1 81 81 GLY HA2 H 1 3.420 0.020 . 1 . . . . A 81 GLY HA2 . 34079 1 805 . 1 1 81 81 GLY HA3 H 1 4.132 0.020 . 1 . . . . A 81 GLY HA3 . 34079 1 806 . 1 1 81 81 GLY CA C 13 45.483 0.300 . 1 . . . . A 81 GLY CA . 34079 1 807 . 1 1 81 81 GLY N N 15 101.552 0.300 . 1 . . . . A 81 GLY N . 34079 1 808 . 1 1 82 82 ARG H H 1 7.515 0.020 . 1 . . . . A 82 ARG H . 34079 1 809 . 1 1 82 82 ARG HA H 1 4.614 0.020 . 1 . . . . A 82 ARG HA . 34079 1 810 . 1 1 82 82 ARG HB2 H 1 1.740 0.020 . 2 . . . . A 82 ARG HB2 . 34079 1 811 . 1 1 82 82 ARG HB3 H 1 1.740 0.020 . 2 . . . . A 82 ARG HB3 . 34079 1 812 . 1 1 82 82 ARG HG2 H 1 1.582 0.020 . 1 . . . . A 82 ARG HG2 . 34079 1 813 . 1 1 82 82 ARG HG3 H 1 1.451 0.020 . 1 . . . . A 82 ARG HG3 . 34079 1 814 . 1 1 82 82 ARG HD2 H 1 3.128 0.020 . 2 . . . . A 82 ARG HD2 . 34079 1 815 . 1 1 82 82 ARG HD3 H 1 3.128 0.020 . 2 . . . . A 82 ARG HD3 . 34079 1 816 . 1 1 82 82 ARG CA C 13 53.383 0.300 . 1 . . . . A 82 ARG CA . 34079 1 817 . 1 1 82 82 ARG CB C 13 32.948 0.300 . 1 . . . . A 82 ARG CB . 34079 1 818 . 1 1 82 82 ARG CG C 13 26.358 0.300 . 1 . . . . A 82 ARG CG . 34079 1 819 . 1 1 82 82 ARG CD C 13 42.687 0.300 . 1 . . . . A 82 ARG CD . 34079 1 820 . 1 1 82 82 ARG N N 15 120.916 0.300 . 1 . . . . A 82 ARG N . 34079 1 821 . 1 1 83 83 VAL H H 1 8.627 0.020 . 1 . . . . A 83 VAL H . 34079 1 822 . 1 1 83 83 VAL HA H 1 4.435 0.020 . 1 . . . . A 83 VAL HA . 34079 1 823 . 1 1 83 83 VAL HB H 1 1.950 0.020 . 1 . . . . A 83 VAL HB . 34079 1 824 . 1 1 83 83 VAL HG11 H 1 0.896 0.020 . 2 . . . . A 83 VAL HG11 . 34079 1 825 . 1 1 83 83 VAL HG12 H 1 0.896 0.020 . 2 . . . . A 83 VAL HG12 . 34079 1 826 . 1 1 83 83 VAL HG13 H 1 0.896 0.020 . 2 . . . . A 83 VAL HG13 . 34079 1 827 . 1 1 83 83 VAL HG21 H 1 0.944 0.020 . 2 . . . . A 83 VAL HG21 . 34079 1 828 . 1 1 83 83 VAL HG22 H 1 0.944 0.020 . 2 . . . . A 83 VAL HG22 . 34079 1 829 . 1 1 83 83 VAL HG23 H 1 0.944 0.020 . 2 . . . . A 83 VAL HG23 . 34079 1 830 . 1 1 83 83 VAL CA C 13 63.256 0.300 . 1 . . . . A 83 VAL CA . 34079 1 831 . 1 1 83 83 VAL CB C 13 30.803 0.300 . 1 . . . . A 83 VAL CB . 34079 1 832 . 1 1 83 83 VAL CG1 C 13 21.998 0.300 . 1 . . . . A 83 VAL CG1 . 34079 1 833 . 1 1 83 83 VAL CG2 C 13 21.589 0.300 . 1 . . . . A 83 VAL CG2 . 34079 1 834 . 1 1 83 83 VAL N N 15 125.403 0.300 . 1 . . . . A 83 VAL N . 34079 1 835 . 1 1 84 84 VAL H H 1 8.214 0.020 . 1 . . . . A 84 VAL H . 34079 1 836 . 1 1 84 84 VAL HA H 1 4.577 0.020 . 1 . . . . A 84 VAL HA . 34079 1 837 . 1 1 84 84 VAL HB H 1 2.003 0.020 . 1 . . . . A 84 VAL HB . 34079 1 838 . 1 1 84 84 VAL HG11 H 1 0.610 0.020 . 2 . . . . A 84 VAL HG11 . 34079 1 839 . 1 1 84 84 VAL HG12 H 1 0.610 0.020 . 2 . . . . A 84 VAL HG12 . 34079 1 840 . 1 1 84 84 VAL HG13 H 1 0.610 0.020 . 2 . . . . A 84 VAL HG13 . 34079 1 841 . 1 1 84 84 VAL HG21 H 1 0.733 0.020 . 2 . . . . A 84 VAL HG21 . 34079 1 842 . 1 1 84 84 VAL HG22 H 1 0.733 0.020 . 2 . . . . A 84 VAL HG22 . 34079 1 843 . 1 1 84 84 VAL HG23 H 1 0.733 0.020 . 2 . . . . A 84 VAL HG23 . 34079 1 844 . 1 1 84 84 VAL CA C 13 59.367 0.300 . 1 . . . . A 84 VAL CA . 34079 1 845 . 1 1 84 84 VAL CB C 13 32.708 0.300 . 1 . . . . A 84 VAL CB . 34079 1 846 . 1 1 84 84 VAL CG1 C 13 18.812 0.300 . 1 . . . . A 84 VAL CG1 . 34079 1 847 . 1 1 84 84 VAL CG2 C 13 22.308 0.300 . 1 . . . . A 84 VAL CG2 . 34079 1 848 . 1 1 84 84 VAL N N 15 122.845 0.300 . 1 . . . . A 84 VAL N . 34079 1 849 . 1 1 85 85 GLU H H 1 8.776 0.020 . 1 . . . . A 85 GLU H . 34079 1 850 . 1 1 85 85 GLU HA H 1 5.017 0.020 . 1 . . . . A 85 GLU HA . 34079 1 851 . 1 1 85 85 GLU CA C 13 53.052 0.300 . 1 . . . . A 85 GLU CA . 34079 1 852 . 1 1 85 85 GLU N N 15 121.627 0.300 . 1 . . . . A 85 GLU N . 34079 1 853 . 1 1 86 86 PRO HA H 1 5.479 0.020 . 1 . . . . A 86 PRO HA . 34079 1 854 . 1 1 86 86 PRO HB2 H 1 1.816 0.020 . 1 . . . . A 86 PRO HB2 . 34079 1 855 . 1 1 86 86 PRO HB3 H 1 2.031 0.020 . 1 . . . . A 86 PRO HB3 . 34079 1 856 . 1 1 86 86 PRO HG2 H 1 1.683 0.020 . 1 . . . . A 86 PRO HG2 . 34079 1 857 . 1 1 86 86 PRO HG3 H 1 2.176 0.020 . 1 . . . . A 86 PRO HG3 . 34079 1 858 . 1 1 86 86 PRO HD2 H 1 3.877 0.020 . 2 . . . . A 86 PRO HD2 . 34079 1 859 . 1 1 86 86 PRO HD3 H 1 3.877 0.020 . 2 . . . . A 86 PRO HD3 . 34079 1 860 . 1 1 86 86 PRO CA C 13 61.036 0.300 . 1 . . . . A 86 PRO CA . 34079 1 861 . 1 1 86 86 PRO CB C 13 32.247 0.300 . 1 . . . . A 86 PRO CB . 34079 1 862 . 1 1 86 86 PRO CG C 13 27.882 0.300 . 1 . . . . A 86 PRO CG . 34079 1 863 . 1 1 86 86 PRO CD C 13 50.868 0.300 . 1 . . . . A 86 PRO CD . 34079 1 864 . 1 1 87 87 LYS H H 1 9.766 0.020 . 1 . . . . A 87 LYS H . 34079 1 865 . 1 1 87 87 LYS HA H 1 4.700 0.020 . 1 . . . . A 87 LYS HA . 34079 1 866 . 1 1 87 87 LYS HB2 H 1 1.730 0.020 . 2 . . . . A 87 LYS HB2 . 34079 1 867 . 1 1 87 87 LYS HB3 H 1 2.003 0.020 . 2 . . . . A 87 LYS HB3 . 34079 1 868 . 1 1 87 87 LYS HG2 H 1 1.492 0.020 . 2 . . . . A 87 LYS HG2 . 34079 1 869 . 1 1 87 87 LYS HG3 H 1 1.492 0.020 . 2 . . . . A 87 LYS HG3 . 34079 1 870 . 1 1 87 87 LYS HE2 H 1 3.094 0.020 . 2 . . . . A 87 LYS HE2 . 34079 1 871 . 1 1 87 87 LYS HE3 H 1 2.906 0.020 . 2 . . . . A 87 LYS HE3 . 34079 1 872 . 1 1 87 87 LYS CA C 13 54.733 0.300 . 1 . . . . A 87 LYS CA . 34079 1 873 . 1 1 87 87 LYS CB C 13 37.183 0.300 . 1 . . . . A 87 LYS CB . 34079 1 874 . 1 1 87 87 LYS CG C 13 25.372 0.300 . 1 . . . . A 87 LYS CG . 34079 1 875 . 1 1 87 87 LYS CE C 13 42.423 0.300 . 1 . . . . A 87 LYS CE . 34079 1 876 . 1 1 87 87 LYS N N 15 121.634 0.300 . 1 . . . . A 87 LYS N . 34079 1 877 . 1 1 88 88 ARG H H 1 8.825 0.020 . 1 . . . . A 88 ARG H . 34079 1 878 . 1 1 88 88 ARG HA H 1 4.302 0.020 . 1 . . . . A 88 ARG HA . 34079 1 879 . 1 1 88 88 ARG HB2 H 1 1.734 0.020 . 1 . . . . A 88 ARG HB2 . 34079 1 880 . 1 1 88 88 ARG HB3 H 1 1.823 0.020 . 1 . . . . A 88 ARG HB3 . 34079 1 881 . 1 1 88 88 ARG HG2 H 1 1.519 0.020 . 2 . . . . A 88 ARG HG2 . 34079 1 882 . 1 1 88 88 ARG HG3 H 1 1.590 0.020 . 2 . . . . A 88 ARG HG3 . 34079 1 883 . 1 1 88 88 ARG HD2 H 1 3.175 0.020 . 1 . . . . A 88 ARG HD2 . 34079 1 884 . 1 1 88 88 ARG HD3 H 1 3.261 0.020 . 1 . . . . A 88 ARG HD3 . 34079 1 885 . 1 1 88 88 ARG CA C 13 57.692 0.300 . 1 . . . . A 88 ARG CA . 34079 1 886 . 1 1 88 88 ARG CB C 13 28.623 0.300 . 1 . . . . A 88 ARG CB . 34079 1 887 . 1 1 88 88 ARG CG C 13 28.500 0.300 . 1 . . . . A 88 ARG CG . 34079 1 888 . 1 1 88 88 ARG CD C 13 42.444 0.300 . 1 . . . . A 88 ARG CD . 34079 1 889 . 1 1 88 88 ARG N N 15 121.765 0.300 . 1 . . . . A 88 ARG N . 34079 1 890 . 1 1 89 89 ALA H H 1 8.217 0.020 . 1 . . . . A 89 ALA H . 34079 1 891 . 1 1 89 89 ALA HA H 1 5.431 0.020 . 1 . . . . A 89 ALA HA . 34079 1 892 . 1 1 89 89 ALA HB1 H 1 1.573 0.020 . 1 . . . . A 89 ALA HB1 . 34079 1 893 . 1 1 89 89 ALA HB2 H 1 1.573 0.020 . 1 . . . . A 89 ALA HB2 . 34079 1 894 . 1 1 89 89 ALA HB3 H 1 1.573 0.020 . 1 . . . . A 89 ALA HB3 . 34079 1 895 . 1 1 89 89 ALA CA C 13 52.544 0.300 . 1 . . . . A 89 ALA CA . 34079 1 896 . 1 1 89 89 ALA CB C 13 18.915 0.300 . 1 . . . . A 89 ALA CB . 34079 1 897 . 1 1 89 89 ALA N N 15 126.721 0.300 . 1 . . . . A 89 ALA N . 34079 1 898 . 1 1 90 90 VAL H H 1 9.717 0.020 . 1 . . . . A 90 VAL H . 34079 1 899 . 1 1 90 90 VAL HA H 1 4.267 0.020 . 1 . . . . A 90 VAL HA . 34079 1 900 . 1 1 90 90 VAL HB H 1 1.486 0.020 . 1 . . . . A 90 VAL HB . 34079 1 901 . 1 1 90 90 VAL HG11 H 1 0.755 0.020 . 2 . . . . A 90 VAL HG11 . 34079 1 902 . 1 1 90 90 VAL HG12 H 1 0.755 0.020 . 2 . . . . A 90 VAL HG12 . 34079 1 903 . 1 1 90 90 VAL HG13 H 1 0.755 0.020 . 2 . . . . A 90 VAL HG13 . 34079 1 904 . 1 1 90 90 VAL HG21 H 1 0.803 0.020 . 2 . . . . A 90 VAL HG21 . 34079 1 905 . 1 1 90 90 VAL HG22 H 1 0.803 0.020 . 2 . . . . A 90 VAL HG22 . 34079 1 906 . 1 1 90 90 VAL HG23 H 1 0.803 0.020 . 2 . . . . A 90 VAL HG23 . 34079 1 907 . 1 1 90 90 VAL CA C 13 61.145 0.300 . 1 . . . . A 90 VAL CA . 34079 1 908 . 1 1 90 90 VAL CB C 13 33.270 0.300 . 1 . . . . A 90 VAL CB . 34079 1 909 . 1 1 90 90 VAL CG1 C 13 20.422 0.300 . 1 . . . . A 90 VAL CG1 . 34079 1 910 . 1 1 90 90 VAL CG2 C 13 21.208 0.300 . 1 . . . . A 90 VAL CG2 . 34079 1 911 . 1 1 90 90 VAL N N 15 126.610 0.300 . 1 . . . . A 90 VAL N . 34079 1 912 . 1 1 91 91 SER H H 1 9.002 0.020 . 1 . . . . A 91 SER H . 34079 1 913 . 1 1 91 91 SER HA H 1 4.273 0.020 . 1 . . . . A 91 SER HA . 34079 1 914 . 1 1 91 91 SER HB2 H 1 3.970 0.020 . 2 . . . . A 91 SER HB2 . 34079 1 915 . 1 1 91 91 SER HB3 H 1 3.970 0.020 . 2 . . . . A 91 SER HB3 . 34079 1 916 . 1 1 91 91 SER CA C 13 58.772 0.300 . 1 . . . . A 91 SER CA . 34079 1 917 . 1 1 91 91 SER CB C 13 64.101 0.300 . 1 . . . . A 91 SER CB . 34079 1 918 . 1 1 91 91 SER N N 15 123.676 0.300 . 1 . . . . A 91 SER N . 34079 1 919 . 1 1 92 92 ARG H H 1 8.796 0.020 . 1 . . . . A 92 ARG H . 34079 1 920 . 1 1 92 92 ARG HA H 1 4.079 0.020 . 1 . . . . A 92 ARG HA . 34079 1 921 . 1 1 92 92 ARG HB2 H 1 1.526 0.020 . 2 . . . . A 92 ARG HB2 . 34079 1 922 . 1 1 92 92 ARG HB3 H 1 1.526 0.020 . 2 . . . . A 92 ARG HB3 . 34079 1 923 . 1 1 92 92 ARG HG2 H 1 1.409 0.020 . 2 . . . . A 92 ARG HG2 . 34079 1 924 . 1 1 92 92 ARG HG3 H 1 1.683 0.020 . 2 . . . . A 92 ARG HG3 . 34079 1 925 . 1 1 92 92 ARG HD2 H 1 3.029 0.020 . 2 . . . . A 92 ARG HD2 . 34079 1 926 . 1 1 92 92 ARG HD3 H 1 3.029 0.020 . 2 . . . . A 92 ARG HD3 . 34079 1 927 . 1 1 92 92 ARG CA C 13 58.426 0.300 . 1 . . . . A 92 ARG CA . 34079 1 928 . 1 1 92 92 ARG CB C 13 30.472 0.300 . 1 . . . . A 92 ARG CB . 34079 1 929 . 1 1 92 92 ARG CG C 13 27.890 0.300 . 1 . . . . A 92 ARG CG . 34079 1 930 . 1 1 92 92 ARG CD C 13 43.476 0.300 . 1 . . . . A 92 ARG CD . 34079 1 931 . 1 1 92 92 ARG N N 15 124.222 0.300 . 1 . . . . A 92 ARG N . 34079 1 932 . 1 1 93 93 GLU H H 1 8.630 0.020 . 1 . . . . A 93 GLU H . 34079 1 933 . 1 1 93 93 GLU HA H 1 4.046 0.020 . 1 . . . . A 93 GLU HA . 34079 1 934 . 1 1 93 93 GLU HB2 H 1 1.930 0.020 . 2 . . . . A 93 GLU HB2 . 34079 1 935 . 1 1 93 93 GLU HB3 H 1 1.867 0.020 . 2 . . . . A 93 GLU HB3 . 34079 1 936 . 1 1 93 93 GLU HG2 H 1 2.231 0.020 . 2 . . . . A 93 GLU HG2 . 34079 1 937 . 1 1 93 93 GLU HG3 H 1 2.231 0.020 . 2 . . . . A 93 GLU HG3 . 34079 1 938 . 1 1 93 93 GLU CA C 13 58.079 0.300 . 1 . . . . A 93 GLU CA . 34079 1 939 . 1 1 93 93 GLU CB C 13 29.573 0.300 . 1 . . . . A 93 GLU CB . 34079 1 940 . 1 1 93 93 GLU CG C 13 36.527 0.300 . 1 . . . . A 93 GLU CG . 34079 1 941 . 1 1 93 93 GLU N N 15 120.282 0.300 . 1 . . . . A 93 GLU N . 34079 1 942 . 1 1 94 94 ASP H H 1 7.938 0.020 . 1 . . . . A 94 ASP H . 34079 1 943 . 1 1 94 94 ASP HA H 1 4.541 0.020 . 1 . . . . A 94 ASP HA . 34079 1 944 . 1 1 94 94 ASP HB2 H 1 2.620 0.020 . 1 . . . . A 94 ASP HB2 . 34079 1 945 . 1 1 94 94 ASP HB3 H 1 2.558 0.020 . 1 . . . . A 94 ASP HB3 . 34079 1 946 . 1 1 94 94 ASP CA C 13 54.848 0.300 . 1 . . . . A 94 ASP CA . 34079 1 947 . 1 1 94 94 ASP CB C 13 41.139 0.300 . 1 . . . . A 94 ASP CB . 34079 1 948 . 1 1 94 94 ASP N N 15 120.869 0.300 . 1 . . . . A 94 ASP N . 34079 1 949 . 1 1 95 95 SER H H 1 7.891 0.020 . 1 . . . . A 95 SER H . 34079 1 950 . 1 1 95 95 SER HA H 1 4.242 0.020 . 1 . . . . A 95 SER HA . 34079 1 951 . 1 1 95 95 SER HB2 H 1 3.883 0.020 . 2 . . . . A 95 SER HB2 . 34079 1 952 . 1 1 95 95 SER HB3 H 1 3.883 0.020 . 2 . . . . A 95 SER HB3 . 34079 1 953 . 1 1 95 95 SER CA C 13 58.897 0.300 . 1 . . . . A 95 SER CA . 34079 1 954 . 1 1 95 95 SER CB C 13 63.880 0.300 . 1 . . . . A 95 SER CB . 34079 1 955 . 1 1 95 95 SER N N 15 115.604 0.300 . 1 . . . . A 95 SER N . 34079 1 956 . 1 1 96 96 GLN H H 1 7.981 0.020 . 1 . . . . A 96 GLN H . 34079 1 957 . 1 1 96 96 GLN HA H 1 4.263 0.020 . 1 . . . . A 96 GLN HA . 34079 1 958 . 1 1 96 96 GLN HB2 H 1 2.035 0.020 . 2 . . . . A 96 GLN HB2 . 34079 1 959 . 1 1 96 96 GLN HB3 H 1 1.927 0.020 . 2 . . . . A 96 GLN HB3 . 34079 1 960 . 1 1 96 96 GLN HG2 H 1 2.301 0.020 . 2 . . . . A 96 GLN HG2 . 34079 1 961 . 1 1 96 96 GLN HG3 H 1 2.301 0.020 . 2 . . . . A 96 GLN HG3 . 34079 1 962 . 1 1 96 96 GLN HE21 H 1 6.751 0.020 . 2 . . . . A 96 GLN HE21 . 34079 1 963 . 1 1 96 96 GLN HE22 H 1 7.507 0.020 . 2 . . . . A 96 GLN HE22 . 34079 1 964 . 1 1 96 96 GLN CA C 13 55.864 0.300 . 1 . . . . A 96 GLN CA . 34079 1 965 . 1 1 96 96 GLN CB C 13 29.106 0.300 . 1 . . . . A 96 GLN CB . 34079 1 966 . 1 1 96 96 GLN CG C 13 33.867 0.300 . 1 . . . . A 96 GLN CG . 34079 1 967 . 1 1 96 96 GLN N N 15 121.523 0.300 . 1 . . . . A 96 GLN N . 34079 1 968 . 1 1 96 96 GLN NE2 N 15 112.591 0.300 . 1 . . . . A 96 GLN NE2 . 34079 1 969 . 1 1 97 97 ARG H H 1 7.803 0.020 . 1 . . . . A 97 ARG H . 34079 1 970 . 1 1 97 97 ARG HA H 1 4.118 0.020 . 1 . . . . A 97 ARG HA . 34079 1 971 . 1 1 97 97 ARG CA C 13 57.409 0.300 . 1 . . . . A 97 ARG CA . 34079 1 972 . 1 1 97 97 ARG N N 15 127.484 0.300 . 1 . . . . A 97 ARG N . 34079 1 973 . 2 2 1 1 U H1' H 1 5.899 0.020 . 1 . . . . B 1 U H1' . 34079 1 974 . 2 2 1 1 U H2' H 1 4.481 0.020 . 1 . . . . B 1 U H2' . 34079 1 975 . 2 2 1 1 U H3' H 1 4.688 0.020 . 1 . . . . B 1 U H3' . 34079 1 976 . 2 2 1 1 U H4' H 1 4.325 0.020 . 1 . . . . B 1 U H4' . 34079 1 977 . 2 2 1 1 U H5 H 1 5.800 0.020 . 1 . . . . B 1 U H5 . 34079 1 978 . 2 2 1 1 U H5' H 1 3.844 0.020 . 2 . . . . B 1 U H5' . 34079 1 979 . 2 2 1 1 U H5'' H 1 3.908 0.020 . 2 . . . . B 1 U H5'' . 34079 1 980 . 2 2 1 1 U H6 H 1 7.833 0.020 . 1 . . . . B 1 U H6 . 34079 1 981 . 2 2 2 2 U H1' H 1 6.338 0.020 . 1 . . . . B 2 U H1' . 34079 1 982 . 2 2 2 2 U H2' H 1 4.517 0.020 . 1 . . . . B 2 U H2' . 34079 1 983 . 2 2 2 2 U H3' H 1 4.944 0.020 . 1 . . . . B 2 U H3' . 34079 1 984 . 2 2 2 2 U H4' H 1 4.234 0.020 . 1 . . . . B 2 U H4' . 34079 1 985 . 2 2 2 2 U H5 H 1 6.064 0.020 . 1 . . . . B 2 U H5 . 34079 1 986 . 2 2 2 2 U H5' H 1 4.155 0.020 . 2 . . . . B 2 U H5' . 34079 1 987 . 2 2 2 2 U H5'' H 1 4.333 0.020 . 2 . . . . B 2 U H5'' . 34079 1 988 . 2 2 2 2 U H6 H 1 8.043 0.020 . 1 . . . . B 2 U H6 . 34079 1 989 . 2 2 3 3 A H1' H 1 6.168 0.020 . 1 . . . . B 3 A H1' . 34079 1 990 . 2 2 3 3 A H2 H 1 8.440 0.020 . 1 . . . . B 3 A H2 . 34079 1 991 . 2 2 3 3 A H2' H 1 4.864 0.020 . 1 . . . . B 3 A H2' . 34079 1 992 . 2 2 3 3 A H3' H 1 4.718 0.020 . 1 . . . . B 3 A H3' . 34079 1 993 . 2 2 3 3 A H4' H 1 4.242 0.020 . 1 . . . . B 3 A H4' . 34079 1 994 . 2 2 3 3 A H5' H 1 3.551 0.020 . 2 . . . . B 3 A H5' . 34079 1 995 . 2 2 3 3 A H5'' H 1 3.663 0.020 . 2 . . . . B 3 A H5'' . 34079 1 996 . 2 2 3 3 A H8 H 1 7.903 0.020 . 1 . . . . B 3 A H8 . 34079 1 997 . 2 2 4 4 G H1 H 1 11.120 0.020 . 1 . . . . B 4 G H1 . 34079 1 998 . 2 2 4 4 G H1' H 1 5.988 0.020 . 1 . . . . B 4 G H1' . 34079 1 999 . 2 2 4 4 G H2' H 1 5.093 0.020 . 1 . . . . B 4 G H2' . 34079 1 1000 . 2 2 4 4 G H3' H 1 4.761 0.020 . 1 . . . . B 4 G H3' . 34079 1 1001 . 2 2 4 4 G H4' H 1 4.591 0.020 . 1 . . . . B 4 G H4' . 34079 1 1002 . 2 2 4 4 G H8 H 1 8.001 0.020 . 1 . . . . B 4 G H8 . 34079 1 1003 . 2 2 5 5 G H1' H 1 5.913 0.020 . 1 . . . . B 5 G H1' . 34079 1 1004 . 2 2 5 5 G H2' H 1 4.779 0.020 . 1 . . . . B 5 G H2' . 34079 1 1005 . 2 2 5 5 G H3' H 1 4.602 0.020 . 1 . . . . B 5 G H3' . 34079 1 1006 . 2 2 5 5 G H4' H 1 4.424 0.020 . 1 . . . . B 5 G H4' . 34079 1 1007 . 2 2 5 5 G H5' H 1 4.350 0.020 . 2 . . . . B 5 G H5' . 34079 1 1008 . 2 2 5 5 G H5'' H 1 4.158 0.020 . 2 . . . . B 5 G H5'' . 34079 1 1009 . 2 2 5 5 G H8 H 1 8.073 0.020 . 1 . . . . B 5 G H8 . 34079 1 1010 . 2 2 6 6 U H1' H 1 5.843 0.020 . 1 . . . . B 6 U H1' . 34079 1 1011 . 2 2 6 6 U H2' H 1 4.338 0.020 . 1 . . . . B 6 U H2' . 34079 1 1012 . 2 2 6 6 U H3' H 1 4.559 0.020 . 1 . . . . B 6 U H3' . 34079 1 1013 . 2 2 6 6 U H4' H 1 4.418 0.020 . 1 . . . . B 6 U H4' . 34079 1 1014 . 2 2 6 6 U H5 H 1 5.660 0.020 . 1 . . . . B 6 U H5 . 34079 1 1015 . 2 2 6 6 U H5' H 1 4.089 0.020 . 2 . . . . B 6 U H5' . 34079 1 1016 . 2 2 6 6 U H5'' H 1 4.226 0.020 . 2 . . . . B 6 U H5'' . 34079 1 1017 . 2 2 6 6 U H6 H 1 7.767 0.020 . 1 . . . . B 6 U H6 . 34079 1 1018 . 2 2 7 7 C H1' H 1 5.890 0.020 . 1 . . . . B 7 C H1' . 34079 1 1019 . 2 2 7 7 C H2' H 1 4.173 0.020 . 1 . . . . B 7 C H2' . 34079 1 1020 . 2 2 7 7 C H3' H 1 4.232 0.020 . 1 . . . . B 7 C H3' . 34079 1 1021 . 2 2 7 7 C H4' H 1 4.191 0.020 . 1 . . . . B 7 C H4' . 34079 1 1022 . 2 2 7 7 C H5 H 1 5.989 0.020 . 1 . . . . B 7 C H5 . 34079 1 1023 . 2 2 7 7 C H6 H 1 7.850 0.020 . 1 . . . . B 7 C H6 . 34079 1 stop_ save_