data_17913 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17913 _Entry.Title ; The third SH3 domain of R85FL with ataxin-7 PRR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-02 _Entry.Accession_date 2011-09-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ya-Jun Jiang . . . 17913 2 Hong-Yu Hu . . . 17913 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17913 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CAP . 17913 ponsin . 17913 R85FL . 17913 SH3 . 17913 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17913 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 186 17913 '15N chemical shifts' 61 17913 '1H chemical shifts' 311 17913 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-26 2011-09-02 update BMRB 'update entry citation' 17913 1 . . 2012-09-04 2011-09-02 original author 'original release' 17913 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17912 'third SH3 domain of R85FL' 17913 PDB 2LJ1 'BMRB Entry Tracking System' 17913 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17913 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23892081 _Citation.Full_citation . _Citation.Title 'Structural basis for recognition of the third SH3 domain of full-length R85 (R85FL)/ponsin by ataxin-7.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 587 _Citation.Journal_issue 18 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2905 _Citation.Page_last 2911 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ya-Jun Jiang . . . 17913 1 2 Chen-Jie Zhou . . . 17913 1 3 Zi-Ren Zhou . . . 17913 1 4 Meng Wu . . . 17913 1 5 Hong-Yu Hu . . . 17913 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17913 _Assembly.ID 1 _Assembly.Name SH3C _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SH3C 1 $entity A . yes native no no . . . 17913 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17913 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SH3C _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 ; QTSQDLFSYQALYSYIPQND DELELRDGDIVDVMEKCDDG WFVGTSRRTKQFGTFPGNYV KPLY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 64 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7468.242 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17912 . "third SH3 domain of R85FL" . . . . . 100.00 65 100.00 100.00 9.16e-39 . . . . 17913 1 2 no PDB 2LJ0 . "The Third Sh3 Domain Of R85fl" . . . . . 100.00 65 100.00 100.00 9.16e-39 . . . . 17913 1 3 no PDB 2LJ1 . "The Third Sh3 Domain Of R85fl With Ataxin-7 Prr" . . . . . 98.44 64 100.00 100.00 6.18e-38 . . . . 17913 1 4 no DBJ BAA92534 . "KIAA1296 protein [Homo sapiens]" . . . . . 100.00 781 100.00 100.00 9.80e-37 . . . . 17913 1 5 no DBJ BAG58006 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 428 100.00 100.00 7.89e-37 . . . . 17913 1 6 no DBJ BAG62137 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 749 100.00 100.00 1.04e-36 . . . . 17913 1 7 no DBJ BAG65026 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 496 100.00 100.00 8.37e-37 . . . . 17913 1 8 no DBJ BAG72789 . "sorbin and SH3 domain containing 1 [synthetic construct]" . . . . . 100.00 781 100.00 100.00 9.80e-37 . . . . 17913 1 9 no EMBL CAB55947 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 816 100.00 100.00 1.24e-36 . . . . 17913 1 10 no EMBL CAD34588 . "c-Cbl associated protein [Homo sapiens]" . . . . . 100.00 846 100.00 100.00 1.49e-36 . . . . 17913 1 11 no EMBL CAE45892 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 548 100.00 100.00 1.09e-36 . . . . 17913 1 12 no EMBL CAH89601 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 816 98.44 100.00 3.13e-36 . . . . 17913 1 13 no EMBL CAH90184 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 749 98.44 100.00 2.73e-36 . . . . 17913 1 14 no GB AAD27647 . "SH3P12 protein [Homo sapiens]" . . . . . 100.00 684 100.00 100.00 7.94e-37 . . . . 17913 1 15 no GB AAF22175 . "c-Cbl-associated protein SH3P12 [Homo sapiens]" . . . . . 100.00 1004 100.00 100.00 2.20e-36 . . . . 17913 1 16 no GB AAI52464 . "Sorbin and SH3 domain containing 1 [Homo sapiens]" . . . . . 100.00 781 100.00 100.00 9.80e-37 . . . . 17913 1 17 no GB AAI60134 . "Sorbin and SH3 domain containing 1 [synthetic construct]" . . . . . 100.00 1292 100.00 100.00 1.77e-35 . . . . 17913 1 18 no GB AAK37563 . "sorbin and SH3 domain containing 1 [Homo sapiens]" . . . . . 100.00 1292 100.00 100.00 1.77e-35 . . . . 17913 1 19 no REF NP_001030126 . "sorbin and SH3 domain-containing protein 1 isoform 3 [Homo sapiens]" . . . . . 100.00 1292 100.00 100.00 1.77e-35 . . . . 17913 1 20 no REF NP_001030127 . "sorbin and SH3 domain-containing protein 1 isoform 4 [Homo sapiens]" . . . . . 100.00 1151 100.00 100.00 2.43e-36 . . . . 17913 1 21 no REF NP_001030128 . "sorbin and SH3 domain-containing protein 1 isoform 5 [Homo sapiens]" . . . . . 100.00 905 100.00 100.00 1.70e-36 . . . . 17913 1 22 no REF NP_001030129 . "sorbin and SH3 domain-containing protein 1 isoform 7 [Homo sapiens]" . . . . . 100.00 740 100.00 100.00 1.06e-36 . . . . 17913 1 23 no REF NP_001068637 . "sorbin and SH3 domain-containing protein 1 [Bos taurus]" . . . . . 100.00 750 98.44 100.00 2.27e-36 . . . . 17913 1 24 no SP Q9BX66 . "RecName: Full=Sorbin and SH3 domain-containing protein 1; AltName: Full=Ponsin; AltName: Full=SH3 domain protein 5; AltName: Fu" . . . . . 100.00 1292 100.00 100.00 1.68e-35 . . . . 17913 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 . GLN . 17913 1 2 . THR . 17913 1 3 . SER . 17913 1 4 . GLN . 17913 1 5 . ASP . 17913 1 6 . LEU . 17913 1 7 . PHE . 17913 1 8 . SER . 17913 1 9 . TYR . 17913 1 10 . GLN . 17913 1 11 . ALA . 17913 1 12 . LEU . 17913 1 13 . TYR . 17913 1 14 . SER . 17913 1 15 . TYR . 17913 1 16 . ILE . 17913 1 17 . PRO . 17913 1 18 . GLN . 17913 1 19 . ASN . 17913 1 20 . ASP . 17913 1 21 . ASP . 17913 1 22 . GLU . 17913 1 23 . LEU . 17913 1 24 . GLU . 17913 1 25 . LEU . 17913 1 26 . ARG . 17913 1 27 . ASP . 17913 1 28 . GLY . 17913 1 29 . ASP . 17913 1 30 . ILE . 17913 1 31 . VAL . 17913 1 32 . ASP . 17913 1 33 . VAL . 17913 1 34 . MET . 17913 1 35 . GLU . 17913 1 36 . LYS . 17913 1 37 . CYS . 17913 1 38 . ASP . 17913 1 39 . ASP . 17913 1 40 . GLY . 17913 1 41 . TRP . 17913 1 42 . PHE . 17913 1 43 . VAL . 17913 1 44 . GLY . 17913 1 45 . THR . 17913 1 46 . SER . 17913 1 47 . ARG . 17913 1 48 . ARG . 17913 1 49 . THR . 17913 1 50 . LYS . 17913 1 51 . GLN . 17913 1 52 . PHE . 17913 1 53 . GLY . 17913 1 54 . THR . 17913 1 55 . PHE . 17913 1 56 . PRO . 17913 1 57 . GLY . 17913 1 58 . ASN . 17913 1 59 . TYR . 17913 1 60 . VAL . 17913 1 61 . LYS . 17913 1 62 . PRO . 17913 1 63 . LEU . 17913 1 64 . TYR . 17913 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 . GLN 1 1 17913 1 . THR 2 2 17913 1 . SER 3 3 17913 1 . GLN 4 4 17913 1 . ASP 5 5 17913 1 . LEU 6 6 17913 1 . PHE 7 7 17913 1 . SER 8 8 17913 1 . TYR 9 9 17913 1 . GLN 10 10 17913 1 . ALA 11 11 17913 1 . LEU 12 12 17913 1 . TYR 13 13 17913 1 . SER 14 14 17913 1 . TYR 15 15 17913 1 . ILE 16 16 17913 1 . PRO 17 17 17913 1 . GLN 18 18 17913 1 . ASN 19 19 17913 1 . ASP 20 20 17913 1 . ASP 21 21 17913 1 . GLU 22 22 17913 1 . LEU 23 23 17913 1 . GLU 24 24 17913 1 . LEU 25 25 17913 1 . ARG 26 26 17913 1 . ASP 27 27 17913 1 . GLY 28 28 17913 1 . ASP 29 29 17913 1 . ILE 30 30 17913 1 . VAL 31 31 17913 1 . ASP 32 32 17913 1 . VAL 33 33 17913 1 . MET 34 34 17913 1 . GLU 35 35 17913 1 . LYS 36 36 17913 1 . CYS 37 37 17913 1 . ASP 38 38 17913 1 . ASP 39 39 17913 1 . GLY 40 40 17913 1 . TRP 41 41 17913 1 . PHE 42 42 17913 1 . VAL 43 43 17913 1 . GLY 44 44 17913 1 . THR 45 45 17913 1 . SER 46 46 17913 1 . ARG 47 47 17913 1 . ARG 48 48 17913 1 . THR 49 49 17913 1 . LYS 50 50 17913 1 . GLN 51 51 17913 1 . PHE 52 52 17913 1 . GLY 53 53 17913 1 . THR 54 54 17913 1 . PHE 55 55 17913 1 . PRO 56 56 17913 1 . GLY 57 57 17913 1 . ASN 58 58 17913 1 . TYR 59 59 17913 1 . VAL 60 60 17913 1 . LYS 61 61 17913 1 . PRO 62 62 17913 1 . LEU 63 63 17913 1 . TYR 64 64 17913 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17913 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17913 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 17913 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-22b . . . . . . 17913 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17913 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'sodium phosphate' 'natural abundance' . . . . . . 1 . . mM . . . . 17913 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17913 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17913 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17913 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.12 . M 17913 1 pH 6.5 . pH 17913 1 pressure 1 . atm 17913 1 temperature 298 . K 17913 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17913 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17913 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17913 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17913 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17913 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17913 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 17913 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17913 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17913 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17913 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17913 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17913 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17913 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17913 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17913 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17913 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17913 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17913 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17913 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17913 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17913 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 17913 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17913 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D CBCA(CO)NH' . . . 17913 1 3 '3D C(CO)NH' . . . 17913 1 5 '3D HNCACB' . . . 17913 1 6 '3D H(CCO)NH' . . . 17913 1 7 '3D HCCH-TOCSY' . . . 17913 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN H H 1 8.635 0.002 . 1 . . . A 1 GLN HN . 17913 1 2 . 1 1 1 1 GLN HA H 1 4.404 0.001 . 1 . . . A 1 GLN HA . 17913 1 3 . 1 1 1 1 GLN HB3 H 1 2.091 0.002 . 2 . . . A 1 GLN HB3 . 17913 1 4 . 1 1 1 1 GLN HG3 H 1 2.324 0.005 . 2 . . . A 1 GLN HG3 . 17913 1 5 . 1 1 1 1 GLN CA C 13 56.190 0.086 . 1 . . . A 1 GLN CA . 17913 1 6 . 1 1 1 1 GLN CB C 13 29.302 0.005 . 1 . . . A 1 GLN CB . 17913 1 7 . 1 1 1 1 GLN CG C 13 33.860 0.000 . 1 . . . A 1 GLN CG . 17913 1 8 . 1 1 1 1 GLN N N 15 122.327 0.000 . 1 . . . A 1 GLN N . 17913 1 9 . 1 1 2 2 THR H H 1 8.268 0.013 . 1 . . . A 2 THR HN . 17913 1 10 . 1 1 2 2 THR HA H 1 4.359 0.007 . 1 . . . A 2 THR HA . 17913 1 11 . 1 1 2 2 THR HB H 1 4.218 0.004 . 1 . . . A 2 THR HB . 17913 1 12 . 1 1 2 2 THR HG21 H 1 1.158 0.009 . 1 . . . A 2 THR HG21 . 17913 1 13 . 1 1 2 2 THR HG22 H 1 1.158 0.009 . 1 . . . A 2 THR HG22 . 17913 1 14 . 1 1 2 2 THR HG23 H 1 1.158 0.009 . 1 . . . A 2 THR HG23 . 17913 1 15 . 1 1 2 2 THR CA C 13 61.918 0.124 . 1 . . . A 2 THR CA . 17913 1 16 . 1 1 2 2 THR CB C 13 70.007 0.168 . 1 . . . A 2 THR CB . 17913 1 17 . 1 1 2 2 THR CG2 C 13 21.605 0.010 . 1 . . . A 2 THR CG2 . 17913 1 18 . 1 1 2 2 THR N N 15 115.123 0.043 . 1 . . . A 2 THR N . 17913 1 19 . 1 1 3 3 SER H H 1 8.329 0.007 . 1 . . . A 3 SER HN . 17913 1 20 . 1 1 3 3 SER HA H 1 4.393 0.006 . 1 . . . A 3 SER HA . 17913 1 21 . 1 1 3 3 SER HB3 H 1 3.831 0.008 . 2 . . . A 3 SER HB3 . 17913 1 22 . 1 1 3 3 SER CA C 13 58.538 0.128 . 1 . . . A 3 SER CA . 17913 1 23 . 1 1 3 3 SER CB C 13 63.865 0.007 . 1 . . . A 3 SER CB . 17913 1 24 . 1 1 3 3 SER N N 15 117.860 0.045 . 1 . . . A 3 SER N . 17913 1 25 . 1 1 4 4 GLN H H 1 8.359 0.005 . 1 . . . A 4 GLN HN . 17913 1 26 . 1 1 4 4 GLN HA H 1 4.287 0.007 . 1 . . . A 4 GLN HA . 17913 1 27 . 1 1 4 4 GLN HB3 H 1 2.037 0.006 . 2 . . . A 4 GLN HB3 . 17913 1 28 . 1 1 4 4 GLN HG3 H 1 2.278 0.004 . 2 . . . A 4 GLN HG3 . 17913 1 29 . 1 1 4 4 GLN CA C 13 55.929 0.095 . 1 . . . A 4 GLN CA . 17913 1 30 . 1 1 4 4 GLN CB C 13 29.431 0.123 . 1 . . . A 4 GLN CB . 17913 1 31 . 1 1 4 4 GLN CG C 13 33.812 0.021 . 1 . . . A 4 GLN CG . 17913 1 32 . 1 1 4 4 GLN N N 15 121.904 0.031 . 1 . . . A 4 GLN N . 17913 1 33 . 1 1 5 5 ASP H H 1 8.222 0.009 . 1 . . . A 5 ASP HN . 17913 1 34 . 1 1 5 5 ASP HA H 1 4.515 0.005 . 1 . . . A 5 ASP HA . 17913 1 35 . 1 1 5 5 ASP HB3 H 1 2.500 0.007 . 2 . . . A 5 ASP HB3 . 17913 1 36 . 1 1 5 5 ASP CA C 13 54.622 0.118 . 1 . . . A 5 ASP CA . 17913 1 37 . 1 1 5 5 ASP CB C 13 41.180 0.024 . 1 . . . A 5 ASP CB . 17913 1 38 . 1 1 5 5 ASP N N 15 121.274 0.032 . 1 . . . A 5 ASP N . 17913 1 39 . 1 1 6 6 LEU H H 1 7.787 0.006 . 1 . . . A 6 LEU HN . 17913 1 40 . 1 1 6 6 LEU HA H 1 4.256 0.007 . 1 . . . A 6 LEU HA . 17913 1 41 . 1 1 6 6 LEU HB3 H 1 1.377 0.006 . 2 . . . A 6 LEU HB3 . 17913 1 42 . 1 1 6 6 LEU HG H 1 1.367 0.004 . 1 . . . A 6 LEU HG . 17913 1 43 . 1 1 6 6 LEU HD11 H 1 0.721 0.009 . 2 . . . A 6 LEU HD11 . 17913 1 44 . 1 1 6 6 LEU HD12 H 1 0.721 0.009 . 2 . . . A 6 LEU HD12 . 17913 1 45 . 1 1 6 6 LEU HD13 H 1 0.721 0.009 . 2 . . . A 6 LEU HD13 . 17913 1 46 . 1 1 6 6 LEU HD21 H 1 0.649 0.005 . 2 . . . A 6 LEU HD21 . 17913 1 47 . 1 1 6 6 LEU HD22 H 1 0.649 0.005 . 2 . . . A 6 LEU HD22 . 17913 1 48 . 1 1 6 6 LEU HD23 H 1 0.649 0.005 . 2 . . . A 6 LEU HD23 . 17913 1 49 . 1 1 6 6 LEU CA C 13 55.057 0.105 . 1 . . . A 6 LEU CA . 17913 1 50 . 1 1 6 6 LEU CB C 13 42.710 0.052 . 1 . . . A 6 LEU CB . 17913 1 51 . 1 1 6 6 LEU CG C 13 26.783 0.118 . 1 . . . A 6 LEU CG . 17913 1 52 . 1 1 6 6 LEU CD1 C 13 24.920 0.029 . 2 . . . A 6 LEU CD1 . 17913 1 53 . 1 1 6 6 LEU CD2 C 13 23.618 0.101 . 2 . . . A 6 LEU CD2 . 17913 1 54 . 1 1 6 6 LEU N N 15 121.060 0.031 . 1 . . . A 6 LEU N . 17913 1 55 . 1 1 7 7 PHE H H 1 8.240 0.010 . 1 . . . A 7 PHE HN . 17913 1 56 . 1 1 7 7 PHE HA H 1 4.852 0.009 . 1 . . . A 7 PHE HA . 17913 1 57 . 1 1 7 7 PHE HB3 H 1 3.401 0.009 . 2 . . . A 7 PHE HB3 . 17913 1 58 . 1 1 7 7 PHE HD2 H 1 7.172 0.012 . 3 . . . A 7 PHE HD2 . 17913 1 59 . 1 1 7 7 PHE CA C 13 56.964 0.165 . 1 . . . A 7 PHE CA . 17913 1 60 . 1 1 7 7 PHE CB C 13 40.497 0.047 . 1 . . . A 7 PHE CB . 17913 1 61 . 1 1 7 7 PHE N N 15 119.312 0.051 . 1 . . . A 7 PHE N . 17913 1 62 . 1 1 8 8 SER H H 1 8.201 0.008 . 1 . . . A 8 SER HN . 17913 1 63 . 1 1 8 8 SER HA H 1 5.341 0.009 . 1 . . . A 8 SER HA . 17913 1 64 . 1 1 8 8 SER HB3 H 1 3.793 0.010 . 2 . . . A 8 SER HB3 . 17913 1 65 . 1 1 8 8 SER CA C 13 58.530 0.094 . 1 . . . A 8 SER CA . 17913 1 66 . 1 1 8 8 SER CB C 13 64.615 0.152 . 1 . . . A 8 SER CB . 17913 1 67 . 1 1 8 8 SER N N 15 117.645 0.035 . 1 . . . A 8 SER N . 17913 1 68 . 1 1 9 9 TYR H H 1 9.312 0.008 . 1 . . . A 9 TYR HN . 17913 1 69 . 1 1 9 9 TYR HA H 1 5.071 0.007 . 1 . . . A 9 TYR HA . 17913 1 70 . 1 1 9 9 TYR HB3 H 1 2.778 0.007 . 2 . . . A 9 TYR HB3 . 17913 1 71 . 1 1 9 9 TYR HD2 H 1 6.936 0.012 . 3 . . . A 9 TYR HD2 . 17913 1 72 . 1 1 9 9 TYR CA C 13 56.623 0.084 . 1 . . . A 9 TYR CA . 17913 1 73 . 1 1 9 9 TYR CB C 13 42.716 0.071 . 1 . . . A 9 TYR CB . 17913 1 74 . 1 1 9 9 TYR N N 15 123.973 0.027 . 1 . . . A 9 TYR N . 17913 1 75 . 1 1 10 10 GLN H H 1 9.448 0.012 . 1 . . . A 10 GLN HN . 17913 1 76 . 1 1 10 10 GLN HA H 1 5.449 0.009 . 1 . . . A 10 GLN HA . 17913 1 77 . 1 1 10 10 GLN HB3 H 1 1.986 0.006 . 2 . . . A 10 GLN HB3 . 17913 1 78 . 1 1 10 10 GLN HG3 H 1 1.999 0.010 . 2 . . . A 10 GLN HG3 . 17913 1 79 . 1 1 10 10 GLN CA C 13 53.206 0.118 . 1 . . . A 10 GLN CA . 17913 1 80 . 1 1 10 10 GLN CB C 13 32.834 0.064 . 1 . . . A 10 GLN CB . 17913 1 81 . 1 1 10 10 GLN CG C 13 33.520 0.065 . 1 . . . A 10 GLN CG . 17913 1 82 . 1 1 10 10 GLN N N 15 119.777 0.020 . 1 . . . A 10 GLN N . 17913 1 83 . 1 1 11 11 ALA H H 1 9.603 0.006 . 1 . . . A 11 ALA HN . 17913 1 84 . 1 1 11 11 ALA HA H 1 4.674 0.005 . 1 . . . A 11 ALA HA . 17913 1 85 . 1 1 11 11 ALA HB1 H 1 1.462 0.005 . 1 . . . A 11 ALA HB1 . 17913 1 86 . 1 1 11 11 ALA HB2 H 1 1.462 0.005 . 1 . . . A 11 ALA HB2 . 17913 1 87 . 1 1 11 11 ALA HB3 H 1 1.462 0.005 . 1 . . . A 11 ALA HB3 . 17913 1 88 . 1 1 11 11 ALA CA C 13 52.798 0.114 . 1 . . . A 11 ALA CA . 17913 1 89 . 1 1 11 11 ALA CB C 13 19.060 0.045 . 1 . . . A 11 ALA CB . 17913 1 90 . 1 1 11 11 ALA N N 15 128.040 0.069 . 1 . . . A 11 ALA N . 17913 1 91 . 1 1 12 12 LEU H H 1 9.231 0.008 . 1 . . . A 12 LEU HN . 17913 1 92 . 1 1 12 12 LEU HA H 1 3.959 0.008 . 1 . . . A 12 LEU HA . 17913 1 93 . 1 1 12 12 LEU HB3 H 1 0.779 0.007 . 2 . . . A 12 LEU HB3 . 17913 1 94 . 1 1 12 12 LEU HG H 1 1.255 0.007 . 1 . . . A 12 LEU HG . 17913 1 95 . 1 1 12 12 LEU HD11 H 1 0.613 0.010 . 2 . . . A 12 LEU HD11 . 17913 1 96 . 1 1 12 12 LEU HD12 H 1 0.613 0.010 . 2 . . . A 12 LEU HD12 . 17913 1 97 . 1 1 12 12 LEU HD13 H 1 0.613 0.010 . 2 . . . A 12 LEU HD13 . 17913 1 98 . 1 1 12 12 LEU HD21 H 1 0.608 0.005 . 2 . . . A 12 LEU HD21 . 17913 1 99 . 1 1 12 12 LEU HD22 H 1 0.608 0.005 . 2 . . . A 12 LEU HD22 . 17913 1 100 . 1 1 12 12 LEU HD23 H 1 0.608 0.005 . 2 . . . A 12 LEU HD23 . 17913 1 101 . 1 1 12 12 LEU CA C 13 55.132 0.122 . 1 . . . A 12 LEU CA . 17913 1 102 . 1 1 12 12 LEU CB C 13 43.791 0.101 . 1 . . . A 12 LEU CB . 17913 1 103 . 1 1 12 12 LEU CG C 13 26.848 0.054 . 1 . . . A 12 LEU CG . 17913 1 104 . 1 1 12 12 LEU CD1 C 13 25.489 0.069 . 2 . . . A 12 LEU CD1 . 17913 1 105 . 1 1 12 12 LEU CD2 C 13 22.706 0.154 . 2 . . . A 12 LEU CD2 . 17913 1 106 . 1 1 12 12 LEU N N 15 126.475 0.050 . 1 . . . A 12 LEU N . 17913 1 107 . 1 1 13 13 TYR H H 1 7.013 0.009 . 1 . . . A 13 TYR HN . 17913 1 108 . 1 1 13 13 TYR HA H 1 4.753 0.007 . 1 . . . A 13 TYR HA . 17913 1 109 . 1 1 13 13 TYR HB3 H 1 3.162 0.006 . 2 . . . A 13 TYR HB3 . 17913 1 110 . 1 1 13 13 TYR HD1 H 1 6.594 0.009 . 3 . . . A 13 TYR HD1 . 17913 1 111 . 1 1 13 13 TYR CA C 13 53.592 0.014 . 1 . . . A 13 TYR CA . 17913 1 112 . 1 1 13 13 TYR CB C 13 42.569 0.061 . 1 . . . A 13 TYR CB . 17913 1 113 . 1 1 13 13 TYR N N 15 112.484 0.063 . 1 . . . A 13 TYR N . 17913 1 114 . 1 1 14 14 SER H H 1 8.308 0.008 . 1 . . . A 14 SER HN . 17913 1 115 . 1 1 14 14 SER HA H 1 4.397 0.007 . 1 . . . A 14 SER HA . 17913 1 116 . 1 1 14 14 SER HB3 H 1 3.912 0.018 . 2 . . . A 14 SER HB3 . 17913 1 117 . 1 1 14 14 SER CA C 13 58.401 0.131 . 1 . . . A 14 SER CA . 17913 1 118 . 1 1 14 14 SER CB C 13 64.028 0.182 . 1 . . . A 14 SER CB . 17913 1 119 . 1 1 14 14 SER N N 15 113.568 0.029 . 1 . . . A 14 SER N . 17913 1 120 . 1 1 15 15 TYR H H 1 8.962 0.006 . 1 . . . A 15 TYR HN . 17913 1 121 . 1 1 15 15 TYR HA H 1 4.694 0.008 . 1 . . . A 15 TYR HA . 17913 1 122 . 1 1 15 15 TYR HB3 H 1 2.930 0.006 . 2 . . . A 15 TYR HB3 . 17913 1 123 . 1 1 15 15 TYR HD2 H 1 7.012 0.010 . 3 . . . A 15 TYR HD2 . 17913 1 124 . 1 1 15 15 TYR CA C 13 59.127 0.030 . 1 . . . A 15 TYR CA . 17913 1 125 . 1 1 15 15 TYR CB C 13 42.084 0.064 . 1 . . . A 15 TYR CB . 17913 1 126 . 1 1 15 15 TYR N N 15 122.458 0.035 . 1 . . . A 15 TYR N . 17913 1 127 . 1 1 16 16 ILE H H 1 7.426 0.007 . 1 . . . A 16 ILE HN . 17913 1 128 . 1 1 16 16 ILE HA H 1 4.333 0.007 . 1 . . . A 16 ILE HA . 17913 1 129 . 1 1 16 16 ILE HB H 1 1.534 0.008 . 1 . . . A 16 ILE HB . 17913 1 130 . 1 1 16 16 ILE HG13 H 1 1.367 0.006 . 2 . . . A 16 ILE HG13 . 17913 1 131 . 1 1 16 16 ILE HG21 H 1 0.752 0.004 . 1 . . . A 16 ILE HG21 . 17913 1 132 . 1 1 16 16 ILE HG22 H 1 0.752 0.004 . 1 . . . A 16 ILE HG22 . 17913 1 133 . 1 1 16 16 ILE HG23 H 1 0.752 0.004 . 1 . . . A 16 ILE HG23 . 17913 1 134 . 1 1 16 16 ILE HD11 H 1 0.736 0.005 . 1 . . . A 16 ILE HD11 . 17913 1 135 . 1 1 16 16 ILE HD12 H 1 0.736 0.005 . 1 . . . A 16 ILE HD12 . 17913 1 136 . 1 1 16 16 ILE HD13 H 1 0.736 0.005 . 1 . . . A 16 ILE HD13 . 17913 1 137 . 1 1 16 16 ILE CA C 13 56.360 0.147 . 1 . . . A 16 ILE CA . 17913 1 138 . 1 1 16 16 ILE CB C 13 37.998 0.063 . 1 . . . A 16 ILE CB . 17913 1 139 . 1 1 16 16 ILE CG1 C 13 27.228 0.087 . 1 . . . A 16 ILE CG1 . 17913 1 140 . 1 1 16 16 ILE CG2 C 13 16.614 0.088 . 1 . . . A 16 ILE CG2 . 17913 1 141 . 1 1 16 16 ILE CD1 C 13 11.525 0.061 . 1 . . . A 16 ILE CD1 . 17913 1 142 . 1 1 16 16 ILE N N 15 129.002 0.049 . 1 . . . A 16 ILE N . 17913 1 143 . 1 1 17 17 PRO HA H 1 4.375 0.009 . 1 . . . A 17 PRO HA . 17913 1 144 . 1 1 17 17 PRO HB2 H 1 2.389 0.005 . 2 . . . A 17 PRO HB2 . 17913 1 145 . 1 1 17 17 PRO HB3 H 1 1.940 0.006 . 2 . . . A 17 PRO HB3 . 17913 1 146 . 1 1 17 17 PRO HG3 H 1 2.129 0.005 . 2 . . . A 17 PRO HG3 . 17913 1 147 . 1 1 17 17 PRO HD3 H 1 3.813 0.008 . 2 . . . A 17 PRO HD3 . 17913 1 148 . 1 1 17 17 PRO CA C 13 63.614 0.127 . 1 . . . A 17 PRO CA . 17913 1 149 . 1 1 17 17 PRO CB C 13 34.016 0.037 . 1 . . . A 17 PRO CB . 17913 1 150 . 1 1 17 17 PRO CG C 13 27.805 0.099 . 1 . . . A 17 PRO CG . 17913 1 151 . 1 1 17 17 PRO CD C 13 51.014 0.027 . 1 . . . A 17 PRO CD . 17913 1 152 . 1 1 18 18 GLN H H 1 9.032 0.009 . 1 . . . A 18 GLN HN . 17913 1 153 . 1 1 18 18 GLN HA H 1 4.326 0.005 . 1 . . . A 18 GLN HA . 17913 1 154 . 1 1 18 18 GLN HB3 H 1 2.271 0.004 . 2 . . . A 18 GLN HB3 . 17913 1 155 . 1 1 18 18 GLN HG3 H 1 2.535 0.012 . 2 . . . A 18 GLN HG3 . 17913 1 156 . 1 1 18 18 GLN CA C 13 54.774 0.047 . 1 . . . A 18 GLN CA . 17913 1 157 . 1 1 18 18 GLN CB C 13 30.867 0.087 . 1 . . . A 18 GLN CB . 17913 1 158 . 1 1 18 18 GLN CG C 13 34.111 0.019 . 1 . . . A 18 GLN CG . 17913 1 159 . 1 1 18 18 GLN N N 15 120.610 0.024 . 1 . . . A 18 GLN N . 17913 1 160 . 1 1 19 19 ASN H H 1 7.278 0.008 . 1 . . . A 19 ASN HN . 17913 1 161 . 1 1 19 19 ASN HA H 1 4.877 0.004 . 1 . . . A 19 ASN HA . 17913 1 162 . 1 1 19 19 ASN HB3 H 1 2.676 0.006 . 2 . . . A 19 ASN HB3 . 17913 1 163 . 1 1 19 19 ASN CA C 13 52.046 0.102 . 1 . . . A 19 ASN CA . 17913 1 164 . 1 1 19 19 ASN CB C 13 44.116 0.057 . 1 . . . A 19 ASN CB . 17913 1 165 . 1 1 19 19 ASN N N 15 114.130 0.038 . 1 . . . A 19 ASN N . 17913 1 166 . 1 1 20 20 ASP H H 1 8.844 0.008 . 1 . . . A 20 ASP HN . 17913 1 167 . 1 1 20 20 ASP HA H 1 4.409 0.009 . 1 . . . A 20 ASP HA . 17913 1 168 . 1 1 20 20 ASP HB3 H 1 2.732 0.004 . 2 . . . A 20 ASP HB3 . 17913 1 169 . 1 1 20 20 ASP CA C 13 56.761 0.193 . 1 . . . A 20 ASP CA . 17913 1 170 . 1 1 20 20 ASP CB C 13 40.427 0.041 . 1 . . . A 20 ASP CB . 17913 1 171 . 1 1 20 20 ASP N N 15 119.849 0.026 . 1 . . . A 20 ASP N . 17913 1 172 . 1 1 21 21 ASP H H 1 8.259 0.009 . 1 . . . A 21 ASP HN . 17913 1 173 . 1 1 21 21 ASP HA H 1 4.716 0.006 . 1 . . . A 21 ASP HA . 17913 1 174 . 1 1 21 21 ASP HB3 H 1 3.072 0.005 . 2 . . . A 21 ASP HB3 . 17913 1 175 . 1 1 21 21 ASP CA C 13 52.903 0.006 . 1 . . . A 21 ASP CA . 17913 1 176 . 1 1 21 21 ASP CB C 13 39.519 0.050 . 1 . . . A 21 ASP CB . 17913 1 177 . 1 1 21 21 ASP N N 15 116.249 0.045 . 1 . . . A 21 ASP N . 17913 1 178 . 1 1 22 22 GLU H H 1 7.540 0.008 . 1 . . . A 22 GLU HN . 17913 1 179 . 1 1 22 22 GLU HA H 1 5.306 0.007 . 1 . . . A 22 GLU HA . 17913 1 180 . 1 1 22 22 GLU HB3 H 1 2.482 0.005 . 2 . . . A 22 GLU HB3 . 17913 1 181 . 1 1 22 22 GLU HG3 H 1 2.374 0.011 . 2 . . . A 22 GLU HG3 . 17913 1 182 . 1 1 22 22 GLU CA C 13 54.842 0.090 . 1 . . . A 22 GLU CA . 17913 1 183 . 1 1 22 22 GLU CB C 13 31.813 0.137 . 1 . . . A 22 GLU CB . 17913 1 184 . 1 1 22 22 GLU CG C 13 37.357 0.061 . 1 . . . A 22 GLU CG . 17913 1 185 . 1 1 22 22 GLU N N 15 119.836 0.019 . 1 . . . A 22 GLU N . 17913 1 186 . 1 1 23 23 LEU H H 1 8.710 0.007 . 1 . . . A 23 LEU HN . 17913 1 187 . 1 1 23 23 LEU HA H 1 4.351 0.007 . 1 . . . A 23 LEU HA . 17913 1 188 . 1 1 23 23 LEU HB3 H 1 1.623 0.005 . 2 . . . A 23 LEU HB3 . 17913 1 189 . 1 1 23 23 LEU HG H 1 1.343 0.008 . 1 . . . A 23 LEU HG . 17913 1 190 . 1 1 23 23 LEU HD11 H 1 0.694 0.006 . 2 . . . A 23 LEU HD11 . 17913 1 191 . 1 1 23 23 LEU HD12 H 1 0.694 0.006 . 2 . . . A 23 LEU HD12 . 17913 1 192 . 1 1 23 23 LEU HD13 H 1 0.694 0.006 . 2 . . . A 23 LEU HD13 . 17913 1 193 . 1 1 23 23 LEU HD21 H 1 0.493 0.007 . 2 . . . A 23 LEU HD21 . 17913 1 194 . 1 1 23 23 LEU HD22 H 1 0.493 0.007 . 2 . . . A 23 LEU HD22 . 17913 1 195 . 1 1 23 23 LEU HD23 H 1 0.493 0.007 . 2 . . . A 23 LEU HD23 . 17913 1 196 . 1 1 23 23 LEU CA C 13 53.197 0.119 . 1 . . . A 23 LEU CA . 17913 1 197 . 1 1 23 23 LEU CB C 13 45.612 0.083 . 1 . . . A 23 LEU CB . 17913 1 198 . 1 1 23 23 LEU CG C 13 26.272 0.000 . 1 . . . A 23 LEU CG . 17913 1 199 . 1 1 23 23 LEU CD1 C 13 24.941 0.143 . 2 . . . A 23 LEU CD1 . 17913 1 200 . 1 1 23 23 LEU CD2 C 13 25.666 0.089 . 2 . . . A 23 LEU CD2 . 17913 1 201 . 1 1 23 23 LEU N N 15 124.087 0.027 . 1 . . . A 23 LEU N . 17913 1 202 . 1 1 24 24 GLU H H 1 8.042 0.009 . 1 . . . A 24 GLU HN . 17913 1 203 . 1 1 24 24 GLU HA H 1 4.564 0.006 . 1 . . . A 24 GLU HA . 17913 1 204 . 1 1 24 24 GLU HB3 H 1 1.946 0.008 . 2 . . . A 24 GLU HB3 . 17913 1 205 . 1 1 24 24 GLU HG3 H 1 2.553 0.010 . 2 . . . A 24 GLU HG3 . 17913 1 206 . 1 1 24 24 GLU CA C 13 56.198 0.118 . 1 . . . A 24 GLU CA . 17913 1 207 . 1 1 24 24 GLU CB C 13 29.835 0.071 . 1 . . . A 24 GLU CB . 17913 1 208 . 1 1 24 24 GLU CG C 13 36.272 0.069 . 1 . . . A 24 GLU CG . 17913 1 209 . 1 1 24 24 GLU N N 15 122.201 0.059 . 1 . . . A 24 GLU N . 17913 1 210 . 1 1 25 25 LEU H H 1 8.733 0.009 . 1 . . . A 25 LEU HN . 17913 1 211 . 1 1 25 25 LEU HA H 1 4.611 0.012 . 1 . . . A 25 LEU HA . 17913 1 212 . 1 1 25 25 LEU HB3 H 1 1.931 0.007 . 2 . . . A 25 LEU HB3 . 17913 1 213 . 1 1 25 25 LEU HG H 1 1.660 0.006 . 1 . . . A 25 LEU HG . 17913 1 214 . 1 1 25 25 LEU HD11 H 1 0.587 0.007 . 2 . . . A 25 LEU HD11 . 17913 1 215 . 1 1 25 25 LEU HD12 H 1 0.587 0.007 . 2 . . . A 25 LEU HD12 . 17913 1 216 . 1 1 25 25 LEU HD13 H 1 0.587 0.007 . 2 . . . A 25 LEU HD13 . 17913 1 217 . 1 1 25 25 LEU HD21 H 1 0.276 0.004 . 2 . . . A 25 LEU HD21 . 17913 1 218 . 1 1 25 25 LEU HD22 H 1 0.276 0.004 . 2 . . . A 25 LEU HD22 . 17913 1 219 . 1 1 25 25 LEU HD23 H 1 0.276 0.004 . 2 . . . A 25 LEU HD23 . 17913 1 220 . 1 1 25 25 LEU CA C 13 53.546 0.091 . 1 . . . A 25 LEU CA . 17913 1 221 . 1 1 25 25 LEU CB C 13 45.114 0.083 . 1 . . . A 25 LEU CB . 17913 1 222 . 1 1 25 25 LEU CG C 13 26.119 0.053 . 1 . . . A 25 LEU CG . 17913 1 223 . 1 1 25 25 LEU CD1 C 13 25.209 0.124 . 2 . . . A 25 LEU CD1 . 17913 1 224 . 1 1 25 25 LEU CD2 C 13 22.954 0.048 . 2 . . . A 25 LEU CD2 . 17913 1 225 . 1 1 25 25 LEU N N 15 125.205 0.054 . 1 . . . A 25 LEU N . 17913 1 226 . 1 1 26 26 ARG H H 1 8.597 0.010 . 1 . . . A 26 ARG HN . 17913 1 227 . 1 1 26 26 ARG HA H 1 4.725 0.005 . 1 . . . A 26 ARG HA . 17913 1 228 . 1 1 26 26 ARG HB3 H 1 1.752 0.007 . 2 . . . A 26 ARG HB3 . 17913 1 229 . 1 1 26 26 ARG HG3 H 1 1.639 0.005 . 2 . . . A 26 ARG HG3 . 17913 1 230 . 1 1 26 26 ARG HD3 H 1 3.119 0.005 . 2 . . . A 26 ARG HD3 . 17913 1 231 . 1 1 26 26 ARG CA C 13 54.196 0.026 . 1 . . . A 26 ARG CA . 17913 1 232 . 1 1 26 26 ARG CB C 13 32.565 0.101 . 1 . . . A 26 ARG CB . 17913 1 233 . 1 1 26 26 ARG CG C 13 26.917 0.030 . 1 . . . A 26 ARG CG . 17913 1 234 . 1 1 26 26 ARG CD C 13 43.676 0.057 . 1 . . . A 26 ARG CD . 17913 1 235 . 1 1 26 26 ARG N N 15 124.847 0.035 . 1 . . . A 26 ARG N . 17913 1 236 . 1 1 27 27 ASP H H 1 8.136 0.008 . 1 . . . A 27 ASP HN . 17913 1 237 . 1 1 27 27 ASP HA H 1 3.429 0.004 . 1 . . . A 27 ASP HA . 17913 1 238 . 1 1 27 27 ASP HB3 H 1 2.334 0.008 . 2 . . . A 27 ASP HB3 . 17913 1 239 . 1 1 27 27 ASP CA C 13 56.050 0.131 . 1 . . . A 27 ASP CA . 17913 1 240 . 1 1 27 27 ASP CB C 13 40.214 0.060 . 1 . . . A 27 ASP CB . 17913 1 241 . 1 1 27 27 ASP N N 15 121.325 0.042 . 1 . . . A 27 ASP N . 17913 1 242 . 1 1 28 28 GLY H H 1 8.505 0.008 . 1 . . . A 28 GLY HN . 17913 1 243 . 1 1 28 28 GLY HA3 H 1 4.415 0.006 . 2 . . . A 28 GLY HA3 . 17913 1 244 . 1 1 28 28 GLY CA C 13 44.889 0.033 . 1 . . . A 28 GLY CA . 17913 1 245 . 1 1 28 28 GLY N N 15 113.421 0.052 . 1 . . . A 28 GLY N . 17913 1 246 . 1 1 29 29 ASP H H 1 8.441 0.009 . 1 . . . A 29 ASP HN . 17913 1 247 . 1 1 29 29 ASP HA H 1 4.456 0.008 . 1 . . . A 29 ASP HA . 17913 1 248 . 1 1 29 29 ASP HB3 H 1 2.612 0.017 . 2 . . . A 29 ASP HB3 . 17913 1 249 . 1 1 29 29 ASP CA C 13 55.528 0.104 . 1 . . . A 29 ASP CA . 17913 1 250 . 1 1 29 29 ASP CB C 13 41.558 0.072 . 1 . . . A 29 ASP CB . 17913 1 251 . 1 1 29 29 ASP N N 15 122.317 0.028 . 1 . . . A 29 ASP N . 17913 1 252 . 1 1 30 30 ILE H H 1 8.577 0.011 . 1 . . . A 30 ILE HN . 17913 1 253 . 1 1 30 30 ILE HA H 1 5.001 0.006 . 1 . . . A 30 ILE HA . 17913 1 254 . 1 1 30 30 ILE HB H 1 1.676 0.006 . 1 . . . A 30 ILE HB . 17913 1 255 . 1 1 30 30 ILE HG13 H 1 1.717 0.007 . 2 . . . A 30 ILE HG13 . 17913 1 256 . 1 1 30 30 ILE HG21 H 1 0.842 0.011 . 1 . . . A 30 ILE HG21 . 17913 1 257 . 1 1 30 30 ILE HG22 H 1 0.842 0.011 . 1 . . . A 30 ILE HG22 . 17913 1 258 . 1 1 30 30 ILE HG23 H 1 0.842 0.011 . 1 . . . A 30 ILE HG23 . 17913 1 259 . 1 1 30 30 ILE HD11 H 1 0.807 0.005 . 1 . . . A 30 ILE HD11 . 17913 1 260 . 1 1 30 30 ILE HD12 H 1 0.807 0.005 . 1 . . . A 30 ILE HD12 . 17913 1 261 . 1 1 30 30 ILE HD13 H 1 0.807 0.005 . 1 . . . A 30 ILE HD13 . 17913 1 262 . 1 1 30 30 ILE CA C 13 59.890 0.102 . 1 . . . A 30 ILE CA . 17913 1 263 . 1 1 30 30 ILE CB C 13 38.220 0.043 . 1 . . . A 30 ILE CB . 17913 1 264 . 1 1 30 30 ILE CG1 C 13 27.961 0.102 . 1 . . . A 30 ILE CG1 . 17913 1 265 . 1 1 30 30 ILE CG2 C 13 17.036 0.122 . 1 . . . A 30 ILE CG2 . 17913 1 266 . 1 1 30 30 ILE CD1 C 13 12.206 0.100 . 1 . . . A 30 ILE CD1 . 17913 1 267 . 1 1 30 30 ILE N N 15 121.394 0.067 . 1 . . . A 30 ILE N . 17913 1 268 . 1 1 31 31 VAL H H 1 9.248 0.009 . 1 . . . A 31 VAL HN . 17913 1 269 . 1 1 31 31 VAL HA H 1 4.874 0.006 . 1 . . . A 31 VAL HA . 17913 1 270 . 1 1 31 31 VAL HB H 1 1.535 0.003 . 1 . . . A 31 VAL HB . 17913 1 271 . 1 1 31 31 VAL HG11 H 1 0.462 0.008 . 2 . . . A 31 VAL HG11 . 17913 1 272 . 1 1 31 31 VAL HG12 H 1 0.462 0.008 . 2 . . . A 31 VAL HG12 . 17913 1 273 . 1 1 31 31 VAL HG13 H 1 0.462 0.008 . 2 . . . A 31 VAL HG13 . 17913 1 274 . 1 1 31 31 VAL CA C 13 58.941 0.103 . 1 . . . A 31 VAL CA . 17913 1 275 . 1 1 31 31 VAL CB C 13 35.084 0.096 . 1 . . . A 31 VAL CB . 17913 1 276 . 1 1 31 31 VAL CG1 C 13 20.827 0.161 . 2 . . . A 31 VAL CG1 . 17913 1 277 . 1 1 31 31 VAL CG2 C 13 20.352 0.076 . 2 . . . A 31 VAL CG2 . 17913 1 278 . 1 1 31 31 VAL N N 15 124.770 0.043 . 1 . . . A 31 VAL N . 17913 1 279 . 1 1 32 32 ASP H H 1 8.595 0.010 . 1 . . . A 32 ASP HN . 17913 1 280 . 1 1 32 32 ASP HA H 1 5.369 0.008 . 1 . . . A 32 ASP HA . 17913 1 281 . 1 1 32 32 ASP HB3 H 1 2.536 0.009 . 2 . . . A 32 ASP HB3 . 17913 1 282 . 1 1 32 32 ASP CA C 13 54.018 0.108 . 1 . . . A 32 ASP CA . 17913 1 283 . 1 1 32 32 ASP CB C 13 42.325 0.038 . 1 . . . A 32 ASP CB . 17913 1 284 . 1 1 32 32 ASP N N 15 124.983 0.076 . 1 . . . A 32 ASP N . 17913 1 285 . 1 1 33 33 VAL H H 1 9.377 0.009 . 1 . . . A 33 VAL HN . 17913 1 286 . 1 1 33 33 VAL HA H 1 4.155 0.005 . 1 . . . A 33 VAL HA . 17913 1 287 . 1 1 33 33 VAL HB H 1 2.230 0.009 . 1 . . . A 33 VAL HB . 17913 1 288 . 1 1 33 33 VAL HG11 H 1 0.892 0.005 . 2 . . . A 33 VAL HG11 . 17913 1 289 . 1 1 33 33 VAL HG12 H 1 0.892 0.005 . 2 . . . A 33 VAL HG12 . 17913 1 290 . 1 1 33 33 VAL HG13 H 1 0.892 0.005 . 2 . . . A 33 VAL HG13 . 17913 1 291 . 1 1 33 33 VAL HG21 H 1 0.545 0.009 . 2 . . . A 33 VAL HG21 . 17913 1 292 . 1 1 33 33 VAL HG22 H 1 0.545 0.009 . 2 . . . A 33 VAL HG22 . 17913 1 293 . 1 1 33 33 VAL HG23 H 1 0.545 0.009 . 2 . . . A 33 VAL HG23 . 17913 1 294 . 1 1 33 33 VAL CA C 13 64.228 0.171 . 1 . . . A 33 VAL CA . 17913 1 295 . 1 1 33 33 VAL CB C 13 33.262 0.061 . 1 . . . A 33 VAL CB . 17913 1 296 . 1 1 33 33 VAL CG1 C 13 24.918 0.051 . 2 . . . A 33 VAL CG1 . 17913 1 297 . 1 1 33 33 VAL CG2 C 13 21.045 0.039 . 2 . . . A 33 VAL CG2 . 17913 1 298 . 1 1 33 33 VAL N N 15 127.010 0.067 . 1 . . . A 33 VAL N . 17913 1 299 . 1 1 34 34 MET H H 1 9.404 0.011 . 1 . . . A 34 MET HN . 17913 1 300 . 1 1 34 34 MET HA H 1 4.646 0.012 . 1 . . . A 34 MET HA . 17913 1 301 . 1 1 34 34 MET HB3 H 1 2.097 0.007 . 2 . . . A 34 MET HB3 . 17913 1 302 . 1 1 34 34 MET HG3 H 1 2.615 0.006 . 2 . . . A 34 MET HG3 . 17913 1 303 . 1 1 34 34 MET CA C 13 56.039 0.134 . 1 . . . A 34 MET CA . 17913 1 304 . 1 1 34 34 MET CB C 13 35.364 0.143 . 1 . . . A 34 MET CB . 17913 1 305 . 1 1 34 34 MET CG C 13 32.068 0.038 . 1 . . . A 34 MET CG . 17913 1 306 . 1 1 34 34 MET N N 15 126.236 0.073 . 1 . . . A 34 MET N . 17913 1 307 . 1 1 35 35 GLU H H 1 7.699 0.007 . 1 . . . A 35 GLU HN . 17913 1 308 . 1 1 35 35 GLU HA H 1 4.474 0.012 . 1 . . . A 35 GLU HA . 17913 1 309 . 1 1 35 35 GLU HB3 H 1 1.842 0.011 . 2 . . . A 35 GLU HB3 . 17913 1 310 . 1 1 35 35 GLU HG3 H 1 2.088 0.004 . 2 . . . A 35 GLU HG3 . 17913 1 311 . 1 1 35 35 GLU CA C 13 55.556 0.117 . 1 . . . A 35 GLU CA . 17913 1 312 . 1 1 35 35 GLU CB C 13 33.470 0.032 . 1 . . . A 35 GLU CB . 17913 1 313 . 1 1 35 35 GLU CG C 13 35.759 0.083 . 1 . . . A 35 GLU CG . 17913 1 314 . 1 1 35 35 GLU N N 15 118.007 0.035 . 1 . . . A 35 GLU N . 17913 1 315 . 1 1 36 36 LYS H H 1 8.586 0.007 . 1 . . . A 36 LYS HN . 17913 1 316 . 1 1 36 36 LYS HA H 1 4.361 0.009 . 1 . . . A 36 LYS HA . 17913 1 317 . 1 1 36 36 LYS HB3 H 1 1.468 0.005 . 2 . . . A 36 LYS HB3 . 17913 1 318 . 1 1 36 36 LYS HG3 H 1 0.683 0.007 . 2 . . . A 36 LYS HG3 . 17913 1 319 . 1 1 36 36 LYS HD3 H 1 1.194 0.003 . 2 . . . A 36 LYS HD3 . 17913 1 320 . 1 1 36 36 LYS HE3 H 1 2.433 0.004 . 2 . . . A 36 LYS HE3 . 17913 1 321 . 1 1 36 36 LYS CA C 13 55.577 0.127 . 1 . . . A 36 LYS CA . 17913 1 322 . 1 1 36 36 LYS CB C 13 32.981 0.073 . 1 . . . A 36 LYS CB . 17913 1 323 . 1 1 36 36 LYS CG C 13 23.555 0.062 . 1 . . . A 36 LYS CG . 17913 1 324 . 1 1 36 36 LYS CD C 13 29.346 0.017 . 1 . . . A 36 LYS CD . 17913 1 325 . 1 1 36 36 LYS CE C 13 41.703 0.030 . 1 . . . A 36 LYS CE . 17913 1 326 . 1 1 36 36 LYS N N 15 124.151 0.040 . 1 . . . A 36 LYS N . 17913 1 327 . 1 1 37 37 CYS H H 1 8.689 0.008 . 1 . . . A 37 CYS HN . 17913 1 328 . 1 1 37 37 CYS HA H 1 4.592 0.007 . 1 . . . A 37 CYS HA . 17913 1 329 . 1 1 37 37 CYS HB3 H 1 3.504 0.008 . 2 . . . A 37 CYS HB3 . 17913 1 330 . 1 1 37 37 CYS CA C 13 58.377 0.090 . 1 . . . A 37 CYS CA . 17913 1 331 . 1 1 37 37 CYS CB C 13 29.217 0.117 . 1 . . . A 37 CYS CB . 17913 1 332 . 1 1 37 37 CYS N N 15 122.385 0.043 . 1 . . . A 37 CYS N . 17913 1 333 . 1 1 38 38 ASP H H 1 9.056 0.009 . 1 . . . A 38 ASP HN . 17913 1 334 . 1 1 38 38 ASP HA H 1 4.355 0.009 . 1 . . . A 38 ASP HA . 17913 1 335 . 1 1 38 38 ASP HB3 H 1 2.698 0.009 . 2 . . . A 38 ASP HB3 . 17913 1 336 . 1 1 38 38 ASP CA C 13 56.755 0.073 . 1 . . . A 38 ASP CA . 17913 1 337 . 1 1 38 38 ASP CB C 13 40.300 0.047 . 1 . . . A 38 ASP CB . 17913 1 338 . 1 1 38 38 ASP N N 15 123.591 0.032 . 1 . . . A 38 ASP N . 17913 1 339 . 1 1 39 39 ASP H H 1 7.885 0.008 . 1 . . . A 39 ASP HN . 17913 1 340 . 1 1 39 39 ASP HA H 1 4.472 0.006 . 1 . . . A 39 ASP HA . 17913 1 341 . 1 1 39 39 ASP HB3 H 1 3.421 0.005 . 2 . . . A 39 ASP HB3 . 17913 1 342 . 1 1 39 39 ASP CA C 13 53.216 0.112 . 1 . . . A 39 ASP CA . 17913 1 343 . 1 1 39 39 ASP CB C 13 40.130 0.061 . 1 . . . A 39 ASP CB . 17913 1 344 . 1 1 39 39 ASP N N 15 117.190 0.010 . 1 . . . A 39 ASP N . 17913 1 345 . 1 1 40 40 GLY H H 1 8.032 0.007 . 1 . . . A 40 GLY HN . 17913 1 346 . 1 1 40 40 GLY HA3 H 1 4.243 0.006 . 2 . . . A 40 GLY HA3 . 17913 1 347 . 1 1 40 40 GLY CA C 13 44.975 0.052 . 1 . . . A 40 GLY CA . 17913 1 348 . 1 1 40 40 GLY N N 15 105.575 0.059 . 1 . . . A 40 GLY N . 17913 1 349 . 1 1 41 41 TRP H H 1 8.319 0.006 . 1 . . . A 41 TRP HN . 17913 1 350 . 1 1 41 41 TRP HA H 1 4.057 0.006 . 1 . . . A 41 TRP HA . 17913 1 351 . 1 1 41 41 TRP HB3 H 1 3.208 0.004 . 2 . . . A 41 TRP HB3 . 17913 1 352 . 1 1 41 41 TRP HD1 H 1 7.458 0.007 . 1 . . . A 41 TRP HD1 . 17913 1 353 . 1 1 41 41 TRP CA C 13 58.452 0.132 . 1 . . . A 41 TRP CA . 17913 1 354 . 1 1 41 41 TRP CB C 13 27.230 0.103 . 1 . . . A 41 TRP CB . 17913 1 355 . 1 1 41 41 TRP N N 15 123.669 0.050 . 1 . . . A 41 TRP N . 17913 1 356 . 1 1 42 42 PHE H H 1 8.567 0.007 . 1 . . . A 42 PHE HN . 17913 1 357 . 1 1 42 42 PHE HA H 1 5.342 0.006 . 1 . . . A 42 PHE HA . 17913 1 358 . 1 1 42 42 PHE HB3 H 1 2.594 0.007 . 2 . . . A 42 PHE HB3 . 17913 1 359 . 1 1 42 42 PHE HD1 H 1 6.634 0.013 . 3 . . . A 42 PHE HD1 . 17913 1 360 . 1 1 42 42 PHE CA C 13 51.448 0.075 . 1 . . . A 42 PHE CA . 17913 1 361 . 1 1 42 42 PHE CB C 13 40.630 0.055 . 1 . . . A 42 PHE CB . 17913 1 362 . 1 1 42 42 PHE N N 15 120.474 0.057 . 1 . . . A 42 PHE N . 17913 1 363 . 1 1 43 43 VAL H H 1 8.915 0.007 . 1 . . . A 43 VAL HN . 17913 1 364 . 1 1 43 43 VAL HA H 1 4.623 0.007 . 1 . . . A 43 VAL HA . 17913 1 365 . 1 1 43 43 VAL HB H 1 1.833 0.004 . 1 . . . A 43 VAL HB . 17913 1 366 . 1 1 43 43 VAL HG11 H 1 0.688 0.007 . 2 . . . A 43 VAL HG11 . 17913 1 367 . 1 1 43 43 VAL HG12 H 1 0.688 0.007 . 2 . . . A 43 VAL HG12 . 17913 1 368 . 1 1 43 43 VAL HG13 H 1 0.688 0.007 . 2 . . . A 43 VAL HG13 . 17913 1 369 . 1 1 43 43 VAL HG21 H 1 0.737 0.011 . 2 . . . A 43 VAL HG21 . 17913 1 370 . 1 1 43 43 VAL HG22 H 1 0.737 0.011 . 2 . . . A 43 VAL HG22 . 17913 1 371 . 1 1 43 43 VAL HG23 H 1 0.737 0.011 . 2 . . . A 43 VAL HG23 . 17913 1 372 . 1 1 43 43 VAL CA C 13 61.175 0.180 . 1 . . . A 43 VAL CA . 17913 1 373 . 1 1 43 43 VAL CB C 13 34.518 0.122 . 1 . . . A 43 VAL CB . 17913 1 374 . 1 1 43 43 VAL CG1 C 13 22.633 0.044 . 2 . . . A 43 VAL CG1 . 17913 1 375 . 1 1 43 43 VAL CG2 C 13 20.659 0.100 . 2 . . . A 43 VAL CG2 . 17913 1 376 . 1 1 43 43 VAL N N 15 121.847 0.042 . 1 . . . A 43 VAL N . 17913 1 377 . 1 1 44 44 GLY H H 1 8.897 0.008 . 1 . . . A 44 GLY HN . 17913 1 378 . 1 1 44 44 GLY HA3 H 1 4.530 0.008 . . . . . A 44 GLY HA3 . 17913 1 379 . 1 1 44 44 GLY CA C 13 46.888 0.045 . 1 . . . A 44 GLY CA . 17913 1 380 . 1 1 44 44 GLY N N 15 113.784 0.039 . 1 . . . A 44 GLY N . 17913 1 381 . 1 1 45 45 THR H H 1 8.424 0.008 . 1 . . . A 45 THR HN . 17913 1 382 . 1 1 45 45 THR HA H 1 5.506 0.009 . 1 . . . A 45 THR HA . 17913 1 383 . 1 1 45 45 THR HB H 1 3.970 0.008 . 1 . . . A 45 THR HB . 17913 1 384 . 1 1 45 45 THR HG21 H 1 1.085 0.003 . 1 . . . A 45 THR HG21 . 17913 1 385 . 1 1 45 45 THR HG22 H 1 1.085 0.003 . 1 . . . A 45 THR HG22 . 17913 1 386 . 1 1 45 45 THR HG23 H 1 1.085 0.003 . 1 . . . A 45 THR HG23 . 17913 1 387 . 1 1 45 45 THR CA C 13 60.396 0.108 . 1 . . . A 45 THR CA . 17913 1 388 . 1 1 45 45 THR CB C 13 71.151 0.135 . 1 . . . A 45 THR CB . 17913 1 389 . 1 1 45 45 THR CG2 C 13 21.366 0.027 . 1 . . . A 45 THR CG2 . 17913 1 390 . 1 1 45 45 THR N N 15 112.652 0.038 . 1 . . . A 45 THR N . 17913 1 391 . 1 1 46 46 SER H H 1 8.540 0.016 . 1 . . . A 46 SER HN . 17913 1 392 . 1 1 46 46 SER HA H 1 4.496 0.009 . 1 . . . A 46 SER HA . 17913 1 393 . 1 1 46 46 SER HB3 H 1 4.075 0.006 . 2 . . . A 46 SER HB3 . 17913 1 394 . 1 1 46 46 SER CA C 13 57.007 0.012 . 1 . . . A 46 SER CA . 17913 1 395 . 1 1 46 46 SER CB C 13 63.816 0.121 . 1 . . . A 46 SER CB . 17913 1 396 . 1 1 46 46 SER N N 15 119.945 0.033 . 1 . . . A 46 SER N . 17913 1 397 . 1 1 47 47 ARG H H 1 9.019 0.004 . 1 . . . A 47 ARG HN . 17913 1 398 . 1 1 47 47 ARG HA H 1 4.217 0.005 . 1 . . . A 47 ARG HA . 17913 1 399 . 1 1 47 47 ARG HB3 H 1 1.845 0.008 . 2 . . . A 47 ARG HB3 . 17913 1 400 . 1 1 47 47 ARG HG3 H 1 1.644 0.008 . 2 . . . A 47 ARG HG3 . 17913 1 401 . 1 1 47 47 ARG HD3 H 1 3.149 0.003 . 2 . . . A 47 ARG HD3 . 17913 1 402 . 1 1 47 47 ARG CA C 13 59.482 0.155 . 1 . . . A 47 ARG CA . 17913 1 403 . 1 1 47 47 ARG CB C 13 29.995 0.109 . 1 . . . A 47 ARG CB . 17913 1 404 . 1 1 47 47 ARG CG C 13 28.280 0.031 . 1 . . . A 47 ARG CG . 17913 1 405 . 1 1 47 47 ARG CD C 13 43.774 0.113 . 1 . . . A 47 ARG CD . 17913 1 406 . 1 1 47 47 ARG N N 15 128.825 0.059 . 1 . . . A 47 ARG N . 17913 1 407 . 1 1 48 48 ARG H H 1 8.498 0.008 . 1 . . . A 48 ARG HN . 17913 1 408 . 1 1 48 48 ARG HA H 1 4.216 0.005 . 1 . . . A 48 ARG HA . 17913 1 409 . 1 1 48 48 ARG HB3 H 1 1.798 0.010 . 2 . . . A 48 ARG HB3 . 17913 1 410 . 1 1 48 48 ARG HG3 H 1 1.436 0.015 . 2 . . . A 48 ARG HG3 . 17913 1 411 . 1 1 48 48 ARG HD3 H 1 3.386 0.005 . 2 . . . A 48 ARG HD3 . 17913 1 412 . 1 1 48 48 ARG CA C 13 59.206 0.075 . 1 . . . A 48 ARG CA . 17913 1 413 . 1 1 48 48 ARG CB C 13 30.978 0.156 . 1 . . . A 48 ARG CB . 17913 1 414 . 1 1 48 48 ARG CG C 13 26.888 0.000 . 1 . . . A 48 ARG CG . 17913 1 415 . 1 1 48 48 ARG CD C 13 42.050 0.081 . 1 . . . A 48 ARG CD . 17913 1 416 . 1 1 48 48 ARG N N 15 118.813 0.029 . 1 . . . A 48 ARG N . 17913 1 417 . 1 1 49 49 THR H H 1 7.720 0.007 . 1 . . . A 49 THR HN . 17913 1 418 . 1 1 49 49 THR HA H 1 4.320 0.008 . 1 . . . A 49 THR HA . 17913 1 419 . 1 1 49 49 THR HB H 1 4.435 0.008 . 1 . . . A 49 THR HB . 17913 1 420 . 1 1 49 49 THR HG21 H 1 1.151 0.007 . 1 . . . A 49 THR HG21 . 17913 1 421 . 1 1 49 49 THR HG22 H 1 1.151 0.007 . 1 . . . A 49 THR HG22 . 17913 1 422 . 1 1 49 49 THR HG23 H 1 1.151 0.007 . 1 . . . A 49 THR HG23 . 17913 1 423 . 1 1 49 49 THR CA C 13 61.456 0.131 . 1 . . . A 49 THR CA . 17913 1 424 . 1 1 49 49 THR CB C 13 70.527 0.101 . 1 . . . A 49 THR CB . 17913 1 425 . 1 1 49 49 THR CG2 C 13 21.472 0.035 . 1 . . . A 49 THR CG2 . 17913 1 426 . 1 1 49 49 THR N N 15 105.015 0.090 . 1 . . . A 49 THR N . 17913 1 427 . 1 1 50 50 LYS H H 1 7.977 0.008 . 1 . . . A 50 LYS HN . 17913 1 428 . 1 1 50 50 LYS HA H 1 4.045 0.009 . 1 . . . A 50 LYS HA . 17913 1 429 . 1 1 50 50 LYS HB3 H 1 2.193 0.010 . 2 . . . A 50 LYS HB3 . 17913 1 430 . 1 1 50 50 LYS HG3 H 1 1.379 0.009 . 2 . . . A 50 LYS HG3 . 17913 1 431 . 1 1 50 50 LYS HD3 H 1 1.633 0.007 . 2 . . . A 50 LYS HD3 . 17913 1 432 . 1 1 50 50 LYS HE3 H 1 3.006 0.004 . 2 . . . A 50 LYS HE3 . 17913 1 433 . 1 1 50 50 LYS CA C 13 57.858 0.125 . 1 . . . A 50 LYS CA . 17913 1 434 . 1 1 50 50 LYS CB C 13 29.040 0.090 . 1 . . . A 50 LYS CB . 17913 1 435 . 1 1 50 50 LYS CG C 13 25.283 0.102 . 1 . . . A 50 LYS CG . 17913 1 436 . 1 1 50 50 LYS CD C 13 28.706 0.014 . 1 . . . A 50 LYS CD . 17913 1 437 . 1 1 50 50 LYS CE C 13 42.343 0.019 . 1 . . . A 50 LYS CE . 17913 1 438 . 1 1 50 50 LYS N N 15 115.674 0.027 . 1 . . . A 50 LYS N . 17913 1 439 . 1 1 51 51 GLN H H 1 7.672 0.005 . 1 . . . A 51 GLN HN . 17913 1 440 . 1 1 51 51 GLN HA H 1 4.402 0.006 . 1 . . . A 51 GLN HA . 17913 1 441 . 1 1 51 51 GLN HB3 H 1 2.125 0.004 . 2 . . . A 51 GLN HB3 . 17913 1 442 . 1 1 51 51 GLN HG3 H 1 2.396 0.009 . 2 . . . A 51 GLN HG3 . 17913 1 443 . 1 1 51 51 GLN CA C 13 55.577 0.032 . 1 . . . A 51 GLN CA . 17913 1 444 . 1 1 51 51 GLN CB C 13 29.802 0.005 . 1 . . . A 51 GLN CB . 17913 1 445 . 1 1 51 51 GLN CG C 13 34.072 0.032 . 1 . . . A 51 GLN CG . 17913 1 446 . 1 1 51 51 GLN N N 15 118.027 0.034 . 1 . . . A 51 GLN N . 17913 1 447 . 1 1 52 52 PHE H H 1 8.506 0.006 . 1 . . . A 52 PHE HN . 17913 1 448 . 1 1 52 52 PHE HA H 1 5.577 0.013 . 1 . . . A 52 PHE HA . 17913 1 449 . 1 1 52 52 PHE HB3 H 1 3.056 0.010 . 2 . . . A 52 PHE HB3 . 17913 1 450 . 1 1 52 52 PHE HD1 H 1 7.197 0.001 . 3 . . . A 52 PHE HD1 . 17913 1 451 . 1 1 52 52 PHE CA C 13 55.515 0.121 . 1 . . . A 52 PHE CA . 17913 1 452 . 1 1 52 52 PHE CB C 13 42.919 0.026 . 1 . . . A 52 PHE CB . 17913 1 453 . 1 1 52 52 PHE N N 15 122.149 0.040 . 1 . . . A 52 PHE N . 17913 1 454 . 1 1 53 53 GLY H H 1 8.493 0.009 . 1 . . . A 53 GLY HN . 17913 1 455 . 1 1 53 53 GLY HA3 H 1 3.903 0.015 . . . . . A 53 GLY HA3 . 17913 1 456 . 1 1 53 53 GLY CA C 13 45.554 0.039 . 1 . . . A 53 GLY CA . 17913 1 457 . 1 1 53 53 GLY N N 15 113.270 0.059 . 1 . . . A 53 GLY N . 17913 1 458 . 1 1 54 54 THR H H 1 8.530 0.007 . 1 . . . A 54 THR HN . 17913 1 459 . 1 1 54 54 THR HA H 1 6.034 0.007 . 1 . . . A 54 THR HA . 17913 1 460 . 1 1 54 54 THR HB H 1 3.937 0.011 . 1 . . . A 54 THR HB . 17913 1 461 . 1 1 54 54 THR HG21 H 1 1.096 0.003 . 1 . . . A 54 THR HG21 . 17913 1 462 . 1 1 54 54 THR HG22 H 1 1.096 0.003 . 1 . . . A 54 THR HG22 . 17913 1 463 . 1 1 54 54 THR HG23 H 1 1.096 0.003 . 1 . . . A 54 THR HG23 . 17913 1 464 . 1 1 54 54 THR CA C 13 57.841 0.055 . 1 . . . A 54 THR CA . 17913 1 465 . 1 1 54 54 THR CB C 13 71.605 0.172 . 1 . . . A 54 THR CB . 17913 1 466 . 1 1 54 54 THR CG2 C 13 19.543 0.063 . 1 . . . A 54 THR CG2 . 17913 1 467 . 1 1 54 54 THR N N 15 113.615 0.035 . 1 . . . A 54 THR N . 17913 1 468 . 1 1 55 55 PHE H H 1 8.339 0.009 . 1 . . . A 55 PHE HN . 17913 1 469 . 1 1 55 55 PHE HA H 1 4.850 0.007 . 1 . . . A 55 PHE HA . 17913 1 470 . 1 1 55 55 PHE HB3 H 1 3.124 0.005 . 2 . . . A 55 PHE HB3 . 17913 1 471 . 1 1 55 55 PHE HD1 H 1 6.709 0.011 . 3 . . . A 55 PHE HD1 . 17913 1 472 . 1 1 55 55 PHE CA C 13 55.052 0.127 . 1 . . . A 55 PHE CA . 17913 1 473 . 1 1 55 55 PHE CB C 13 37.218 0.063 . 1 . . . A 55 PHE CB . 17913 1 474 . 1 1 55 55 PHE N N 15 123.708 0.032 . 1 . . . A 55 PHE N . 17913 1 475 . 1 1 56 56 PRO HA H 1 2.269 0.004 . 1 . . . A 56 PRO HA . 17913 1 476 . 1 1 56 56 PRO HB2 H 1 1.443 0.005 . 2 . . . A 56 PRO HB2 . 17913 1 477 . 1 1 56 56 PRO HB3 H 1 0.634 0.008 . 2 . . . A 56 PRO HB3 . 17913 1 478 . 1 1 56 56 PRO HG3 H 1 0.313 0.004 . 2 . . . A 56 PRO HG3 . 17913 1 479 . 1 1 56 56 PRO HD3 H 1 2.061 0.005 . 2 . . . A 56 PRO HD3 . 17913 1 480 . 1 1 56 56 PRO CA C 13 61.844 0.138 . 1 . . . A 56 PRO CA . 17913 1 481 . 1 1 56 56 PRO CB C 13 31.045 0.065 . 1 . . . A 56 PRO CB . 17913 1 482 . 1 1 56 56 PRO CG C 13 26.832 0.058 . 1 . . . A 56 PRO CG . 17913 1 483 . 1 1 56 56 PRO CD C 13 48.490 0.051 . 1 . . . A 56 PRO CD . 17913 1 484 . 1 1 57 57 GLY H H 1 7.808 0.005 . 1 . . . A 57 GLY HN . 17913 1 485 . 1 1 57 57 GLY HA3 H 1 2.231 0.020 . 2 . . . A 57 GLY HA3 . 17913 1 486 . 1 1 57 57 GLY CA C 13 44.596 0.065 . 1 . . . A 57 GLY CA . 17913 1 487 . 1 1 57 57 GLY N N 15 112.583 0.064 . 1 . . . A 57 GLY N . 17913 1 488 . 1 1 58 58 ASN H H 1 7.962 0.004 . 1 . . . A 58 ASN HN . 17913 1 489 . 1 1 58 58 ASN HA H 1 4.623 0.006 . 1 . . . A 58 ASN HA . 17913 1 490 . 1 1 58 58 ASN HB3 H 1 3.015 0.009 . 2 . . . A 58 ASN HB3 . 17913 1 491 . 1 1 58 58 ASN CA C 13 52.873 0.141 . 1 . . . A 58 ASN CA . 17913 1 492 . 1 1 58 58 ASN CB C 13 35.033 0.048 . 1 . . . A 58 ASN CB . 17913 1 493 . 1 1 58 58 ASN N N 15 112.820 0.040 . 1 . . . A 58 ASN N . 17913 1 494 . 1 1 59 59 TYR H H 1 7.649 0.005 . 1 . . . A 59 TYR HN . 17913 1 495 . 1 1 59 59 TYR HA H 1 4.656 0.008 . 1 . . . A 59 TYR HA . 17913 1 496 . 1 1 59 59 TYR HB3 H 1 3.234 0.005 . 2 . . . A 59 TYR HB3 . 17913 1 497 . 1 1 59 59 TYR HD1 H 1 6.977 0.005 . 3 . . . A 59 TYR HD1 . 17913 1 498 . 1 1 59 59 TYR CA C 13 58.197 0.107 . 1 . . . A 59 TYR CA . 17913 1 499 . 1 1 59 59 TYR CB C 13 37.501 0.033 . 1 . . . A 59 TYR CB . 17913 1 500 . 1 1 59 59 TYR N N 15 119.700 0.027 . 1 . . . A 59 TYR N . 17913 1 501 . 1 1 60 60 VAL H H 1 7.300 0.004 . 1 . . . A 60 VAL HN . 17913 1 502 . 1 1 60 60 VAL HA H 1 5.454 0.006 . 1 . . . A 60 VAL HA . 17913 1 503 . 1 1 60 60 VAL HB H 1 2.164 0.007 . 1 . . . A 60 VAL HB . 17913 1 504 . 1 1 60 60 VAL HG11 H 1 0.896 0.005 . 2 . . . A 60 VAL HG11 . 17913 1 505 . 1 1 60 60 VAL HG12 H 1 0.896 0.005 . 2 . . . A 60 VAL HG12 . 17913 1 506 . 1 1 60 60 VAL HG13 H 1 0.896 0.005 . 2 . . . A 60 VAL HG13 . 17913 1 507 . 1 1 60 60 VAL HG21 H 1 0.622 0.006 . 2 . . . A 60 VAL HG21 . 17913 1 508 . 1 1 60 60 VAL HG22 H 1 0.622 0.006 . 2 . . . A 60 VAL HG22 . 17913 1 509 . 1 1 60 60 VAL HG23 H 1 0.622 0.006 . 2 . . . A 60 VAL HG23 . 17913 1 510 . 1 1 60 60 VAL CA C 13 58.191 0.092 . 1 . . . A 60 VAL CA . 17913 1 511 . 1 1 60 60 VAL CB C 13 36.682 0.069 . 1 . . . A 60 VAL CB . 17913 1 512 . 1 1 60 60 VAL CG1 C 13 20.694 0.058 . 2 . . . A 60 VAL CG1 . 17913 1 513 . 1 1 60 60 VAL CG2 C 13 21.133 0.066 . 2 . . . A 60 VAL CG2 . 17913 1 514 . 1 1 60 60 VAL N N 15 108.984 0.033 . 1 . . . A 60 VAL N . 17913 1 515 . 1 1 61 61 LYS H H 1 8.995 0.008 . 1 . . . A 61 LYS HN . 17913 1 516 . 1 1 61 61 LYS HA H 1 5.247 0.006 . 1 . . . A 61 LYS HA . 17913 1 517 . 1 1 61 61 LYS HB3 H 1 1.880 0.004 . 2 . . . A 61 LYS HB3 . 17913 1 518 . 1 1 61 61 LYS HG3 H 1 1.375 0.008 . 2 . . . A 61 LYS HG3 . 17913 1 519 . 1 1 61 61 LYS HD3 H 1 1.610 0.006 . 2 . . . A 61 LYS HD3 . 17913 1 520 . 1 1 61 61 LYS HE3 H 1 2.814 0.004 . 2 . . . A 61 LYS HE3 . 17913 1 521 . 1 1 61 61 LYS CA C 13 52.652 0.130 . 1 . . . A 61 LYS CA . 17913 1 522 . 1 1 61 61 LYS CB C 13 34.744 0.059 . 1 . . . A 61 LYS CB . 17913 1 523 . 1 1 61 61 LYS CG C 13 23.519 0.018 . 1 . . . A 61 LYS CG . 17913 1 524 . 1 1 61 61 LYS CD C 13 29.639 0.103 . 1 . . . A 61 LYS CD . 17913 1 525 . 1 1 61 61 LYS CE C 13 42.332 0.137 . 1 . . . A 61 LYS CE . 17913 1 526 . 1 1 61 61 LYS N N 15 118.836 0.032 . 1 . . . A 61 LYS N . 17913 1 527 . 1 1 62 62 PRO HA H 1 3.516 0.007 . 1 . . . A 62 PRO HA . 17913 1 528 . 1 1 62 62 PRO HB2 H 1 1.669 0.007 . 2 . . . A 62 PRO HB2 . 17913 1 529 . 1 1 62 62 PRO HB3 H 1 1.345 0.004 . 2 . . . A 62 PRO HB3 . 17913 1 530 . 1 1 62 62 PRO HG3 H 1 2.007 0.004 . 2 . . . A 62 PRO HG3 . 17913 1 531 . 1 1 62 62 PRO HD3 H 1 3.880 0.009 . 2 . . . A 62 PRO HD3 . 17913 1 532 . 1 1 62 62 PRO CA C 13 62.930 0.063 . 1 . . . A 62 PRO CA . 17913 1 533 . 1 1 62 62 PRO CB C 13 31.833 0.090 . 1 . . . A 62 PRO CB . 17913 1 534 . 1 1 62 62 PRO CG C 13 27.403 0.087 . 1 . . . A 62 PRO CG . 17913 1 535 . 1 1 62 62 PRO CD C 13 50.608 0.023 . 1 . . . A 62 PRO CD . 17913 1 536 . 1 1 63 63 LEU H H 1 7.933 0.009 . 1 . . . A 63 LEU HN . 17913 1 537 . 1 1 63 63 LEU HA H 1 4.194 0.008 . 1 . . . A 63 LEU HA . 17913 1 538 . 1 1 63 63 LEU HB3 H 1 1.245 0.014 . 2 . . . A 63 LEU HB3 . 17913 1 539 . 1 1 63 63 LEU HG H 1 1.200 0.008 . 1 . . . A 63 LEU HG . 17913 1 540 . 1 1 63 63 LEU HD11 H 1 0.795 0.008 . 2 . . . A 63 LEU HD11 . 17913 1 541 . 1 1 63 63 LEU HD12 H 1 0.795 0.008 . 2 . . . A 63 LEU HD12 . 17913 1 542 . 1 1 63 63 LEU HD13 H 1 0.795 0.008 . 2 . . . A 63 LEU HD13 . 17913 1 543 . 1 1 63 63 LEU HD21 H 1 0.742 0.010 . 2 . . . A 63 LEU HD21 . 17913 1 544 . 1 1 63 63 LEU HD22 H 1 0.742 0.010 . 2 . . . A 63 LEU HD22 . 17913 1 545 . 1 1 63 63 LEU HD23 H 1 0.742 0.010 . 2 . . . A 63 LEU HD23 . 17913 1 546 . 1 1 63 63 LEU CA C 13 54.689 0.054 . 1 . . . A 63 LEU CA . 17913 1 547 . 1 1 63 63 LEU CB C 13 42.768 0.043 . 1 . . . A 63 LEU CB . 17913 1 548 . 1 1 63 63 LEU CG C 13 26.870 0.000 . 1 . . . A 63 LEU CG . 17913 1 549 . 1 1 63 63 LEU CD1 C 13 24.635 0.156 . 2 . . . A 63 LEU CD1 . 17913 1 550 . 1 1 63 63 LEU CD2 C 13 24.128 0.050 . 2 . . . A 63 LEU CD2 . 17913 1 551 . 1 1 63 63 LEU N N 15 122.539 0.063 . 1 . . . A 63 LEU N . 17913 1 552 . 1 1 64 64 TYR H H 1 8.010 0.014 . 1 . . . A 64 TYR HN . 17913 1 553 . 1 1 64 64 TYR HA H 1 4.488 0.006 . 1 . . . A 64 TYR HA . 17913 1 554 . 1 1 64 64 TYR HB3 H 1 2.900 0.014 . 2 . . . A 64 TYR HB3 . 17913 1 555 . 1 1 64 64 TYR HD1 H 1 6.977 0.003 . 3 . . . A 64 TYR HD1 . 17913 1 556 . 1 1 64 64 TYR CA C 13 57.263 0.120 . 1 . . . A 64 TYR CA . 17913 1 557 . 1 1 64 64 TYR CB C 13 38.535 0.046 . 1 . . . A 64 TYR CB . 17913 1 558 . 1 1 64 64 TYR N N 15 120.151 0.029 . 1 . . . A 64 TYR N . 17913 1 stop_ save_