data_5933 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5933 _Entry.Title ; Sequence-specific backbone and sidechain resonance assignments of the Ste50 binding domain of the MAPKKK Ste11 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-09-05 _Entry.Accession_date 2003-09-05 _Entry.Last_release_date 2005-03-01 _Entry.Original_release_date 2005-03-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Surajit Bhattacharjya . . . 5933 2 Ping Xu . . . 5933 3 Rustem Shaykhutdinov . . . 5933 4 Richard Gingras . . . 5933 5 Feng Ni . . . 5933 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5933 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 474 5933 '13C chemical shifts' 299 5933 '15N chemical shifts' 72 5933 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 . . 2005-03-01 2003-09-05 original author . 5933 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5933 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15544813 _Citation.Full_citation . _Citation.Title ; Solution structure of the dimeric SAM domain of MAPKKK Ste11 and its interactions with the adaptor protein Ste50 from the budding yeast: implications for Ste11 activation and signal transmission through the Ste50-Ste11 complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 344 _Citation.Journal_issue 4 _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 1071 _Citation.Page_last 1087 _Citation.Year 2004 _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 Surajit Bhattacharjya . . . 5933 1 2 Ping Xu . . . 5933 1 3 R. Gingras . . . 5933 1 4 R. Shaykhutdinov . . . 5933 1 5 C. Wu . . . 5933 1 6 M. Whiteway . . . 5933 1 7 Feng Ni . . . 5933 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Ste11 5933 1 'SAM domain' 5933 1 Ste50 5933 1 'heteronuclear NMR' 5933 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Ste11 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Ste11 _Assembly.Entry_ID 5933 _Assembly.ID 1 _Assembly.Name 'Ste11 Regulatory Domain' _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 'all free' _Assembly.Molecular_mass 15900 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 5933 1 stop_ 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 'Ste11 SAM, chain 1' 1 $Ste11_SAM . . . native . . 1 . . 5933 1 2 'Ste11 SAM, chain 2' 1 $Ste11_SAM . . . native . . 1 . . 5933 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Ste11 Regulatory Domain' system 5933 1 'Ste11 SAM' abbreviation 5933 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Regulatory role and Binding domain to Adaptor Ste50' 5933 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ste11_SAM _Entity.Sf_category entity _Entity.Sf_framecode Ste11_SAM _Entity.Entry_ID 5933 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SAM domain of Ste11' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DEKTNDLPFVQLFLEEIGCT QYLDSFIQCNLVTEEEIKYL DKDILIALGVNKIGDRLKIL RKSKSFQR ; _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 PDB 1OW5 . "Nmr Structure Of The Saccharomyces Cerevisiae Sam (Sterile Alpha Motif) Domain" . . . . . 100.00 85 100.00 100.00 5.71e-40 . . . . 5933 1 2 no PDB 1X9X . "Solution Structure Of Dimeric Sam Domain From Mapkkk Ste11" . . . . . 100.00 68 100.00 100.00 1.55e-39 . . . . 5933 1 3 no DBJ GAA25223 . "K7_Ste11p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 717 100.00 100.00 5.53e-37 . . . . 5933 1 4 no EMBL CAA37522 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 100.00 717 100.00 100.00 5.53e-37 . . . . 5933 1 5 no EMBL CAY81586 . "Ste11p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 727 100.00 100.00 5.94e-37 . . . . 5933 1 6 no GB AAB67571 . "Ste11p: Ser/Thr protein kinase [Saccharomyces cerevisiae]" . . . . . 100.00 738 100.00 100.00 5.45e-37 . . . . 5933 1 7 no GB AHY78717 . "Ste11p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 717 100.00 100.00 5.70e-37 . . . . 5933 1 8 no GB EDN59268 . "MEK kinase [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 717 100.00 100.00 6.38e-37 . . . . 5933 1 9 no GB EDZ70440 . "YLR362Wp-like protein [Saccharomyces cerevisiae AWRI1631]" . . . . . 100.00 738 100.00 100.00 5.73e-37 . . . . 5933 1 10 no GB EEU06456 . "Ste11p [Saccharomyces cerevisiae JAY291]" . . . . . 100.00 717 100.00 100.00 5.16e-37 . . . . 5933 1 11 no REF NP_013466 . "Ste11p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 717 100.00 100.00 5.53e-37 . . . . 5933 1 12 no SP A7A1P0 . "RecName: Full=Serine/threonine-protein kinase STE11 [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 717 100.00 100.00 6.38e-37 . . . . 5933 1 13 no SP B5VNQ3 . "RecName: Full=Serine/threonine-protein kinase STE11 [Saccharomyces cerevisiae AWRI1631]" . . . . . 100.00 717 100.00 100.00 5.70e-37 . . . . 5933 1 14 no SP P23561 . "RecName: Full=Serine/threonine-protein kinase STE11 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 717 100.00 100.00 5.53e-37 . . . . 5933 1 15 no TPG DAA09666 . "TPA: mitogen-activated protein kinase kinase kinase STE11 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 717 100.00 100.00 5.53e-37 . . . . 5933 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SAM domain of Ste11' common 5933 1 'Ste11 SAM' abbreviation 5933 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 . ASP . 5933 1 2 . GLU . 5933 1 3 . LYS . 5933 1 4 . THR . 5933 1 5 . ASN . 5933 1 6 . ASP . 5933 1 7 . LEU . 5933 1 8 . PRO . 5933 1 9 . PHE . 5933 1 10 . VAL . 5933 1 11 . GLN . 5933 1 12 . LEU . 5933 1 13 . PHE . 5933 1 14 . LEU . 5933 1 15 . GLU . 5933 1 16 . GLU . 5933 1 17 . ILE . 5933 1 18 . GLY . 5933 1 19 . CYS . 5933 1 20 . THR . 5933 1 21 . GLN . 5933 1 22 . TYR . 5933 1 23 . LEU . 5933 1 24 . ASP . 5933 1 25 . SER . 5933 1 26 . PHE . 5933 1 27 . ILE . 5933 1 28 . GLN . 5933 1 29 . CYS . 5933 1 30 . ASN . 5933 1 31 . LEU . 5933 1 32 . VAL . 5933 1 33 . THR . 5933 1 34 . GLU . 5933 1 35 . GLU . 5933 1 36 . GLU . 5933 1 37 . ILE . 5933 1 38 . LYS . 5933 1 39 . TYR . 5933 1 40 . LEU . 5933 1 41 . ASP . 5933 1 42 . LYS . 5933 1 43 . ASP . 5933 1 44 . ILE . 5933 1 45 . LEU . 5933 1 46 . ILE . 5933 1 47 . ALA . 5933 1 48 . LEU . 5933 1 49 . GLY . 5933 1 50 . VAL . 5933 1 51 . ASN . 5933 1 52 . LYS . 5933 1 53 . ILE . 5933 1 54 . GLY . 5933 1 55 . ASP . 5933 1 56 . ARG . 5933 1 57 . LEU . 5933 1 58 . LYS . 5933 1 59 . ILE . 5933 1 60 . LEU . 5933 1 61 . ARG . 5933 1 62 . LYS . 5933 1 63 . SER . 5933 1 64 . LYS . 5933 1 65 . SER . 5933 1 66 . PHE . 5933 1 67 . GLN . 5933 1 68 . ARG . 5933 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 . ASP 1 1 5933 1 . GLU 2 2 5933 1 . LYS 3 3 5933 1 . THR 4 4 5933 1 . ASN 5 5 5933 1 . ASP 6 6 5933 1 . LEU 7 7 5933 1 . PRO 8 8 5933 1 . PHE 9 9 5933 1 . VAL 10 10 5933 1 . GLN 11 11 5933 1 . LEU 12 12 5933 1 . PHE 13 13 5933 1 . LEU 14 14 5933 1 . GLU 15 15 5933 1 . GLU 16 16 5933 1 . ILE 17 17 5933 1 . GLY 18 18 5933 1 . CYS 19 19 5933 1 . THR 20 20 5933 1 . GLN 21 21 5933 1 . TYR 22 22 5933 1 . LEU 23 23 5933 1 . ASP 24 24 5933 1 . SER 25 25 5933 1 . PHE 26 26 5933 1 . ILE 27 27 5933 1 . GLN 28 28 5933 1 . CYS 29 29 5933 1 . ASN 30 30 5933 1 . LEU 31 31 5933 1 . VAL 32 32 5933 1 . THR 33 33 5933 1 . GLU 34 34 5933 1 . GLU 35 35 5933 1 . GLU 36 36 5933 1 . ILE 37 37 5933 1 . LYS 38 38 5933 1 . TYR 39 39 5933 1 . LEU 40 40 5933 1 . ASP 41 41 5933 1 . LYS 42 42 5933 1 . ASP 43 43 5933 1 . ILE 44 44 5933 1 . LEU 45 45 5933 1 . ILE 46 46 5933 1 . ALA 47 47 5933 1 . LEU 48 48 5933 1 . GLY 49 49 5933 1 . VAL 50 50 5933 1 . ASN 51 51 5933 1 . LYS 52 52 5933 1 . ILE 53 53 5933 1 . GLY 54 54 5933 1 . ASP 55 55 5933 1 . ARG 56 56 5933 1 . LEU 57 57 5933 1 . LYS 58 58 5933 1 . ILE 59 59 5933 1 . LEU 60 60 5933 1 . ARG 61 61 5933 1 . LYS 62 62 5933 1 . SER 63 63 5933 1 . LYS 64 64 5933 1 . SER 65 65 5933 1 . PHE 66 66 5933 1 . GLN 67 67 5933 1 . ARG 68 68 5933 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 5933 _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 $Ste11_SAM . 4932 . . 'Saccharomyces cerevisiae' 'Budding yeast' . . Eucaryote Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 5933 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 5933 _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 $Ste11_SAM . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET24b(+) . Novagen . . . . 5933 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5933 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'SAM domain of Ste11' [U-15N] . . 1 $Ste11_SAM . . 0.8 . . mM . . . . 5933 1 2 'K-phosphate buffer' . . . . . . . 10 . . mM . . . . 5933 1 3 NaCl . . . . . . . 300 . . mM . . . . 5933 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5933 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'SAM domain of Ste11' '[U-15N; U-13C]' . . 1 $Ste11_SAM . . 0.8 . . mM . . . . 5933 2 2 'K-phosphate buffer' . . . . . . . 10 . . mM . . . . 5933 2 3 NaCl . . . . . . . 300 . . mM . . . . 5933 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_set_1 _Sample_condition_list.Entry_ID 5933 _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 pH 5.8 0.1 n/a 5933 1 temperature 288 1.0 K 5933 1 'ionic strength' 0.01 0.3 M 5933 1 stop_ save_ ############################# # Purity of the molecules # ############################# save_molecule_purity_list _Entity_purity_list.Sf_category molecule_purity _Entity_purity_list.Sf_framecode molecule_purity_list _Entity_purity_list.Entry_ID 5933 _Entity_purity_list.ID 1 _Entity_purity_list.Details . loop_ _Entity_purity.ID _Entity_purity.Sample_ID _Entity_purity.Sample_label _Entity_purity.Entity_ID _Entity_purity.Entity_label _Entity_purity.Val _Entity_purity.Val_units _Entity_purity.Measurement_method _Entity_purity.Details _Entity_purity.Entry_ID _Entity_purity.Entity_purity_list_ID 1 1 $sample_1 1 $Ste11_SAM 98 % 'SDS gel electrophoresis and mass spectrometry' . 5933 1 stop_ save_ ############################ # Computer software used # ############################ save_NMR_PIPE _Software.Sf_category software _Software.Sf_framecode NMR_PIPE _Software.Entry_ID 5933 _Software.ID 1 _Software.Name NMR-PIPE _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'FID transformations' 5933 1 stop_ save_ save_NMR_View _Software.Sf_category software _Software.Sf_framecode NMR_View _Software.Entry_ID 5933 _Software.ID 2 _Software.Name NMR-View _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis' 5933 2 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 5933 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5933 _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 DRX . 800 . . . 5933 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 5933 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5933 1 2 '2D (1H-1H) NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5933 1 3 '3D (1H-15N) NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5933 1 4 '3D (1H-15N) TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5933 1 5 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5933 1 6 '3D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5933 1 7 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5933 1 8 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5933 1 9 '3D HBHA(C0)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5933 1 10 '3D (H)CCH-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5933 1 11 '3D (1H-13C) NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5933 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5933 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D (1H-15N) HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5933 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D (1H-1H) NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5933 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D (1H-15N) NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5933 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D (1H-15N) TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5933 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5933 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5933 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5933 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5933 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HBHA(C0)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5933 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D (H)CCH-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5933 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D (1H-13C) NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_set_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_set_1 _Chem_shift_reference.Entry_ID 5933 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5933 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329 . . . . . . . . . 5933 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449 . . . . . . . . . 5933 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_set_1 _Assigned_chem_shift_list.Entry_ID 5933 _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_set_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_set_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 $sample_1 . 5933 1 . . 2 $sample_2 . 5933 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 ASP N N 15 120.75 0.1 . 1 . . . . . . . . 5933 1 2 . 1 1 1 1 ASP H H 1 8.572 0.02 . 1 . . . . . . . . 5933 1 3 . 1 1 1 1 ASP CA C 13 54.50 0.2 . 1 . . . . . . . . 5933 1 4 . 1 1 1 1 ASP HA H 1 4.657 0.02 . 1 . . . . . . . . 5933 1 5 . 1 1 1 1 ASP CB C 13 41.24 0.2 . 1 . . . . . . . . 5933 1 6 . 1 1 1 1 ASP HB2 H 1 2.65 0.02 . 1 . . . . . . . . 5933 1 7 . 1 1 1 1 ASP HB3 H 1 2.77 0.02 . 1 . . . . . . . . 5933 1 8 . 1 1 1 1 ASP C C 13 176.2 0.2 . 1 . . . . . . . . 5933 1 9 . 1 1 2 2 GLU N N 15 120.75 0.1 . 1 . . . . . . . . 5933 1 10 . 1 1 2 2 GLU H H 1 8.47 0.02 . 1 . . . . . . . . 5933 1 11 . 1 1 2 2 GLU CA C 13 56.9 0.2 . 1 . . . . . . . . 5933 1 12 . 1 1 2 2 GLU HA H 1 4.34 0.02 . 1 . . . . . . . . 5933 1 13 . 1 1 2 2 GLU CB C 13 30.5 0.2 . 1 . . . . . . . . 5933 1 14 . 1 1 2 2 GLU HB2 H 1 1.97 0.02 . 1 . . . . . . . . 5933 1 15 . 1 1 2 2 GLU HB3 H 1 2.09 0.02 . 1 . . . . . . . . 5933 1 16 . 1 1 2 2 GLU CG C 13 36.3 0.2 . 1 . . . . . . . . 5933 1 17 . 1 1 2 2 GLU HG2 H 1 2.31 0.02 . 1 . . . . . . . . 5933 1 18 . 1 1 2 2 GLU HG3 H 1 2.37 0.02 . 1 . . . . . . . . 5933 1 19 . 1 1 2 2 GLU C C 13 176.68 0.2 . 1 . . . . . . . . 5933 1 20 . 1 1 3 3 LYS N N 15 121.57 0.1 . 1 . . . . . . . . 5933 1 21 . 1 1 3 3 LYS H H 1 8.49 0.02 . 1 . . . . . . . . 5933 1 22 . 1 1 3 3 LYS CA C 13 56.7 0.2 . 1 . . . . . . . . 5933 1 23 . 1 1 3 3 LYS HA H 1 4.42 0.02 . 1 . . . . . . . . 5933 1 24 . 1 1 3 3 LYS CB C 13 33.0 0.2 . 1 . . . . . . . . 5933 1 25 . 1 1 3 3 LYS HB2 H 1 1.88 0.02 . 1 . . . . . . . . 5933 1 26 . 1 1 3 3 LYS HB3 H 1 1.94 0.02 . 1 . . . . . . . . 5933 1 27 . 1 1 3 3 LYS CG C 13 24.9 0.2 . 1 . . . . . . . . 5933 1 28 . 1 1 3 3 LYS HG2 H 1 1.47 0.02 . 1 . . . . . . . . 5933 1 29 . 1 1 3 3 LYS HG3 H 1 1.50 0.02 . 1 . . . . . . . . 5933 1 30 . 1 1 3 3 LYS CD C 13 29.20 0.2 . 1 . . . . . . . . 5933 1 31 . 1 1 3 3 LYS HD2 H 1 1.74 0.02 . 1 . . . . . . . . 5933 1 32 . 1 1 3 3 LYS HD3 H 1 1.77 0.02 . 1 . . . . . . . . 5933 1 33 . 1 1 3 3 LYS CE C 13 42.3 0.2 . 1 . . . . . . . . 5933 1 34 . 1 1 3 3 LYS HE2 H 1 3.05 0.02 . 1 . . . . . . . . 5933 1 35 . 1 1 3 3 LYS HE3 H 1 3.10 0.02 . 1 . . . . . . . . 5933 1 36 . 1 1 3 3 LYS C C 13 176.83 0.2 . 1 . . . . . . . . 5933 1 37 . 1 1 4 4 THR N N 15 114.19 0.1 . 1 . . . . . . . . 5933 1 38 . 1 1 4 4 THR CA C 13 62.08 0.2 . 1 . . . . . . . . 5933 1 39 . 1 1 4 4 THR HA H 1 4.39 0.02 . 1 . . . . . . . . 5933 1 40 . 1 1 4 4 THR CB C 13 70.0 0.2 . 1 . . . . . . . . 5933 1 41 . 1 1 4 4 THR HB H 1 4.25 0.02 . 1 . . . . . . . . 5933 1 42 . 1 1 4 4 THR CG2 C 13 21.7 0.2 . 1 . . . . . . . . 5933 1 43 . 1 1 4 4 THR HG21 H 1 1.26 0.02 . 1 . . . . . . . . 5933 1 44 . 1 1 4 4 THR HG22 H 1 1.26 0.02 . 1 . . . . . . . . 5933 1 45 . 1 1 4 4 THR HG23 H 1 1.26 0.02 . 1 . . . . . . . . 5933 1 46 . 1 1 4 4 THR C C 13 174.2 0.2 . 1 . . . . . . . . 5933 1 47 . 1 1 5 5 ASN N N 15 122.53 0.1 . 1 . . . . . . . . 5933 1 48 . 1 1 5 5 ASN H H 1 8.46 0.02 . 1 . . . . . . . . 5933 1 49 . 1 1 5 5 ASN CA C 13 54.3 0.2 . 1 . . . . . . . . 5933 1 50 . 1 1 5 5 ASN HA H 1 4.73 0.02 . 1 . . . . . . . . 5933 1 51 . 1 1 5 5 ASN CB C 13 41.5 0.2 . 1 . . . . . . . . 5933 1 52 . 1 1 5 5 ASN HB2 H 1 2.63 0.02 . 1 . . . . . . . . 5933 1 53 . 1 1 5 5 ASN HB3 H 1 2.73 0.02 . 1 . . . . . . . . 5933 1 54 . 1 1 5 5 ASN C C 13 175.7 0.2 . 1 . . . . . . . . 5933 1 55 . 1 1 6 6 ASP N N 15 122.67 0.1 . 1 . . . . . . . . 5933 1 56 . 1 1 6 6 ASP H H 1 8.17 0.02 . 1 . . . . . . . . 5933 1 57 . 1 1 6 6 ASP CA C 13 53.2 0.2 . 1 . . . . . . . . 5933 1 58 . 1 1 6 6 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 5933 1 59 . 1 1 6 6 ASP CB C 13 42.00 0.2 . 1 . . . . . . . . 5933 1 60 . 1 1 6 6 ASP HB2 H 1 2.77 0.02 . 1 . . . . . . . . 5933 1 61 . 1 1 6 6 ASP HB3 H 1 2.76 0.02 . 1 . . . . . . . . 5933 1 62 . 1 1 6 6 ASP C C 13 175.7 0.2 . 1 . . . . . . . . 5933 1 63 . 1 1 8 8 PRO CA C 13 62.8 0.2 . 1 . . . . . . . . 5933 1 64 . 1 1 8 8 PRO HA H 1 4.58 0.02 . 1 . . . . . . . . 5933 1 65 . 1 1 8 8 PRO CB C 13 32.54 0.2 . 1 . . . . . . . . 5933 1 66 . 1 1 8 8 PRO HB2 H 1 1.98 0.02 . 1 . . . . . . . . 5933 1 67 . 1 1 8 8 PRO HB3 H 1 2.46 0.02 . 1 . . . . . . . . 5933 1 68 . 1 1 8 8 PRO CG C 13 27.67 0.2 . 1 . . . . . . . . 5933 1 69 . 1 1 8 8 PRO HG2 H 1 2.20 0.02 . 1 . . . . . . . . 5933 1 70 . 1 1 8 8 PRO HG3 H 1 2.14 0.02 . 1 . . . . . . . . 5933 1 71 . 1 1 8 8 PRO CD C 13 50.3 0.2 . 1 . . . . . . . . 5933 1 72 . 1 1 8 8 PRO HD2 H 1 3.90 0.02 . 1 . . . . . . . . 5933 1 73 . 1 1 8 8 PRO HD3 H 1 3.83 0.02 . 1 . . . . . . . . 5933 1 74 . 1 1 8 8 PRO C C 13 177.7 0.2 . 1 . . . . . . . . 5933 1 75 . 1 1 9 9 PHE N N 15 124.86 0.1 . 1 . . . . . . . . 5933 1 76 . 1 1 9 9 PHE H H 1 9.14 0.02 . 1 . . . . . . . . 5933 1 77 . 1 1 9 9 PHE CA C 13 62.7 0.2 . 1 . . . . . . . . 5933 1 78 . 1 1 9 9 PHE HA H 1 4.07 0.02 . 1 . . . . . . . . 5933 1 79 . 1 1 9 9 PHE CB C 13 38.9 0.2 . 1 . . . . . . . . 5933 1 80 . 1 1 9 9 PHE HB2 H 1 3.35 0.02 . 1 . . . . . . . . 5933 1 81 . 1 1 9 9 PHE HB3 H 1 3.45 0.02 . 1 . . . . . . . . 5933 1 82 . 1 1 9 9 PHE CD1 C 13 127.3 0.2 . 3 . . . . . . . . 5933 1 83 . 1 1 9 9 PHE HD1 H 1 7.44 0.02 . 3 . . . . . . . . 5933 1 84 . 1 1 9 9 PHE CE1 C 13 128.2 0.2 . 3 . . . . . . . . 5933 1 85 . 1 1 9 9 PHE HE1 H 1 7.00 0.02 . 3 . . . . . . . . 5933 1 86 . 1 1 9 9 PHE C C 13 177.65 0.2 . 1 . . . . . . . . 5933 1 87 . 1 1 10 10 VAL N N 15 114.19 0.1 . 1 . . . . . . . . 5933 1 88 . 1 1 10 10 VAL H H 1 8.31 0.02 . 1 . . . . . . . . 5933 1 89 . 1 1 10 10 VAL CA C 13 64.80 0.2 . 1 . . . . . . . . 5933 1 90 . 1 1 10 10 VAL HA H 1 3.59 0.02 . 1 . . . . . . . . 5933 1 91 . 1 1 10 10 VAL CB C 13 30.8 0.2 . 1 . . . . . . . . 5933 1 92 . 1 1 10 10 VAL HB H 1 2.34 0.02 . 1 . . . . . . . . 5933 1 93 . 1 1 10 10 VAL CG1 C 13 19.5 0.2 . 1 . . . . . . . . 5933 1 94 . 1 1 10 10 VAL CG2 C 13 22.7 0.2 . 1 . . . . . . . . 5933 1 95 . 1 1 10 10 VAL HG11 H 1 1.07 0.02 . 1 . . . . . . . . 5933 1 96 . 1 1 10 10 VAL HG12 H 1 1.07 0.02 . 1 . . . . . . . . 5933 1 97 . 1 1 10 10 VAL HG13 H 1 1.07 0.02 . 1 . . . . . . . . 5933 1 98 . 1 1 10 10 VAL HG21 H 1 0.92 0.02 . 1 . . . . . . . . 5933 1 99 . 1 1 10 10 VAL HG22 H 1 0.92 0.02 . 1 . . . . . . . . 5933 1 100 . 1 1 10 10 VAL HG23 H 1 0.92 0.02 . 1 . . . . . . . . 5933 1 101 . 1 1 10 10 VAL C C 13 174.9 0.2 . 1 . . . . . . . . 5933 1 102 . 1 1 11 11 GLN N N 15 120.48 0.1 . 1 . . . . . . . . 5933 1 103 . 1 1 11 11 GLN H H 1 7.28 0.02 . 1 . . . . . . . . 5933 1 104 . 1 1 11 11 GLN CA C 13 59.75 0.2 . 1 . . . . . . . . 5933 1 105 . 1 1 11 11 GLN HA H 1 3.91 0.02 . 1 . . . . . . . . 5933 1 106 . 1 1 11 11 GLN CB C 13 28.3 0.2 . 1 . . . . . . . . 5933 1 107 . 1 1 11 11 GLN HB2 H 1 2.12 0.02 . 1 . . . . . . . . 5933 1 108 . 1 1 11 11 GLN HB3 H 1 2.14 0.02 . 1 . . . . . . . . 5933 1 109 . 1 1 11 11 GLN CG C 13 33.3 0.2 . 1 . . . . . . . . 5933 1 110 . 1 1 11 11 GLN HG2 H 1 2.26 0.02 . 1 . . . . . . . . 5933 1 111 . 1 1 11 11 GLN HG3 H 1 2.36 0.02 . 1 . . . . . . . . 5933 1 112 . 1 1 11 11 GLN NE2 N 15 109.6 0.1 . 1 . . . . . . . . 5933 1 113 . 1 1 11 11 GLN HE21 H 1 7.70 0.02 . 1 . . . . . . . . 5933 1 114 . 1 1 11 11 GLN HE22 H 1 6.71 0.02 . 1 . . . . . . . . 5933 1 115 . 1 1 11 11 GLN C C 13 177.47 0.2 . 1 . . . . . . . . 5933 1 116 . 1 1 12 12 LEU N N 15 119.52 0.1 . 1 . . . . . . . . 5933 1 117 . 1 1 12 12 LEU H H 1 7.14 0.02 . 1 . . . . . . . . 5933 1 118 . 1 1 12 12 LEU CA C 13 58.1 0.2 . 1 . . . . . . . . 5933 1 119 . 1 1 12 12 LEU HA H 1 3.96 0.02 . 1 . . . . . . . . 5933 1 120 . 1 1 12 12 LEU CB C 13 41.50 0.2 . 1 . . . . . . . . 5933 1 121 . 1 1 12 12 LEU HB2 H 1 1.54 0.02 . 1 . . . . . . . . 5933 1 122 . 1 1 12 12 LEU HB3 H 1 1.63 0.02 . 1 . . . . . . . . 5933 1 123 . 1 1 12 12 LEU CG C 13 27.00 0.2 . 1 . . . . . . . . 5933 1 124 . 1 1 12 12 LEU HG H 1 1.57 0.02 . 1 . . . . . . . . 5933 1 125 . 1 1 12 12 LEU CD1 C 13 24.0 0.2 . 1 . . . . . . . . 5933 1 126 . 1 1 12 12 LEU CD2 C 13 25.2 0.2 . 1 . . . . . . . . 5933 1 127 . 1 1 12 12 LEU HD11 H 1 0.9 0.02 . 1 . . . . . . . . 5933 1 128 . 1 1 12 12 LEU HD12 H 1 0.9 0.02 . 1 . . . . . . . . 5933 1 129 . 1 1 12 12 LEU HD13 H 1 0.9 0.02 . 1 . . . . . . . . 5933 1 130 . 1 1 12 12 LEU HD21 H 1 0.94 0.02 . 1 . . . . . . . . 5933 1 131 . 1 1 12 12 LEU HD22 H 1 0.94 0.02 . 1 . . . . . . . . 5933 1 132 . 1 1 12 12 LEU HD23 H 1 0.94 0.02 . 1 . . . . . . . . 5933 1 133 . 1 1 12 12 LEU C C 13 179.07 0.2 . 1 . . . . . . . . 5933 1 134 . 1 1 13 13 PHE N N 15 119.25 0.1 . 1 . . . . . . . . 5933 1 135 . 1 1 13 13 PHE H H 1 8.14 0.02 . 1 . . . . . . . . 5933 1 136 . 1 1 13 13 PHE CA C 13 60.5 0.2 . 1 . . . . . . . . 5933 1 137 . 1 1 13 13 PHE HA H 1 3.87 0.02 . 1 . . . . . . . . 5933 1 138 . 1 1 13 13 PHE CB C 13 39.5 0.2 . 1 . . . . . . . . 5933 1 139 . 1 1 13 13 PHE HB2 H 1 2.31 0.02 . 1 . . . . . . . . 5933 1 140 . 1 1 13 13 PHE HB3 H 1 2.72 0.02 . 1 . . . . . . . . 5933 1 141 . 1 1 13 13 PHE CD1 C 13 129.68 0.2 . 3 . . . . . . . . 5933 1 142 . 1 1 13 13 PHE HD1 H 1 6.99 0.02 . 2 . . . . . . . . 5933 1 143 . 1 1 13 13 PHE CE1 C 13 128.46 0.2 . 3 . . . . . . . . 5933 1 144 . 1 1 13 13 PHE HE1 H 1 6.89 0.02 . 2 . . . . . . . . 5933 1 145 . 1 1 13 13 PHE C C 13 177.36 0.2 . 1 . . . . . . . . 5933 1 146 . 1 1 14 14 LEU N N 15 114.05 0.1 . 1 . . . . . . . . 5933 1 147 . 1 1 14 14 LEU H H 1 7.97 0.02 . 1 . . . . . . . . 5933 1 148 . 1 1 14 14 LEU CA C 13 57.13 0.2 . 1 . . . . . . . . 5933 1 149 . 1 1 14 14 LEU HA H 1 3.62 0.02 . 1 . . . . . . . . 5933 1 150 . 1 1 14 14 LEU CB C 13 40.94 0.2 . 1 . . . . . . . . 5933 1 151 . 1 1 14 14 LEU HB2 H 1 0.78 0.02 . 1 . . . . . . . . 5933 1 152 . 1 1 14 14 LEU HB3 H 1 1.68 0.02 . 1 . . . . . . . . 5933 1 153 . 1 1 14 14 LEU CG C 13 26.77 0.2 . 1 . . . . . . . . 5933 1 154 . 1 1 14 14 LEU HG H 1 1.86 0.02 . 1 . . . . . . . . 5933 1 155 . 1 1 14 14 LEU CD1 C 13 23.03 0.2 . 1 . . . . . . . . 5933 1 156 . 1 1 14 14 LEU CD2 C 13 25.40 0.2 . 1 . . . . . . . . 5933 1 157 . 1 1 14 14 LEU HD11 H 1 0.91 0.02 . 1 . . . . . . . . 5933 1 158 . 1 1 14 14 LEU HD12 H 1 0.91 0.02 . 1 . . . . . . . . 5933 1 159 . 1 1 14 14 LEU HD13 H 1 0.91 0.02 . 1 . . . . . . . . 5933 1 160 . 1 1 14 14 LEU HD21 H 1 0.48 0.02 . 1 . . . . . . . . 5933 1 161 . 1 1 14 14 LEU HD22 H 1 0.48 0.02 . 1 . . . . . . . . 5933 1 162 . 1 1 14 14 LEU HD23 H 1 0.48 0.02 . 1 . . . . . . . . 5933 1 163 . 1 1 14 14 LEU C C 13 180.3 0.2 . 1 . . . . . . . . 5933 1 164 . 1 1 15 15 GLU N N 15 119.8 0.1 . 1 . . . . . . . . 5933 1 165 . 1 1 15 15 GLU H H 1 8.33 0.02 . 1 . . . . . . . . 5933 1 166 . 1 1 15 15 GLU CA C 13 59.5 0.2 . 1 . . . . . . . . 5933 1 167 . 1 1 15 15 GLU HA H 1 3.96 0.02 . 1 . . . . . . . . 5933 1 168 . 1 1 15 15 GLU CB C 13 29.05 0.2 . 1 . . . . . . . . 5933 1 169 . 1 1 15 15 GLU HB2 H 1 2.04 0.02 . 1 . . . . . . . . 5933 1 170 . 1 1 15 15 GLU HB3 H 1 2.23 0.02 . 1 . . . . . . . . 5933 1 171 . 1 1 15 15 GLU CG C 13 36.56 0.2 . 1 . . . . . . . . 5933 1 172 . 1 1 15 15 GLU HG2 H 1 2.24 0.02 . 1 . . . . . . . . 5933 1 173 . 1 1 15 15 GLU HG3 H 1 2.40 0.02 . 1 . . . . . . . . 5933 1 174 . 1 1 15 15 GLU C C 13 177.7 0.2 . 1 . . . . . . . . 5933 1 175 . 1 1 16 16 GLU N N 15 118.84 0.1 . 1 . . . . . . . . 5933 1 176 . 1 1 16 16 GLU H H 1 7.80 0.02 . 1 . . . . . . . . 5933 1 177 . 1 1 16 16 GLU CA C 13 59.45 0.2 . 1 . . . . . . . . 5933 1 178 . 1 1 16 16 GLU HA H 1 4.03 0.02 . 1 . . . . . . . . 5933 1 179 . 1 1 16 16 GLU CB C 13 29.72 0.2 . 1 . . . . . . . . 5933 1 180 . 1 1 16 16 GLU HB2 H 1 2.00 0.02 . 1 . . . . . . . . 5933 1 181 . 1 1 16 16 GLU HB3 H 1 2.18 0.02 . 1 . . . . . . . . 5933 1 182 . 1 1 16 16 GLU CG C 13 36.33 0.2 . 1 . . . . . . . . 5933 1 183 . 1 1 16 16 GLU HG2 H 1 2.49 0.02 . 1 . . . . . . . . 5933 1 184 . 1 1 16 16 GLU HG3 H 1 2.24 0.02 . 1 . . . . . . . . 5933 1 185 . 1 1 16 16 GLU C C 13 178.0 0.2 . 1 . . . . . . . . 5933 1 186 . 1 1 17 17 ILE N N 15 105.64 0.1 . 1 . . . . . . . . 5933 1 187 . 1 1 17 17 ILE H H 1 6.77 0.02 . 1 . . . . . . . . 5933 1 188 . 1 1 17 17 ILE CA C 13 60.45 0.2 . 1 . . . . . . . . 5933 1 189 . 1 1 17 17 ILE HA H 1 4.55 0.02 . 1 . . . . . . . . 5933 1 190 . 1 1 17 17 ILE CB C 13 38.24 0.2 . 1 . . . . . . . . 5933 1 191 . 1 1 17 17 ILE HB H 1 2.14 0.02 . 1 . . . . . . . . 5933 1 192 . 1 1 17 17 ILE CG1 C 13 25.69 0.2 . 1 . . . . . . . . 5933 1 193 . 1 1 17 17 ILE CG2 C 13 18.08 0.2 . 1 . . . . . . . . 5933 1 194 . 1 1 17 17 ILE HG12 H 1 0.99 0.02 . 1 . . . . . . . . 5933 1 195 . 1 1 17 17 ILE HG13 H 1 1.24 0.02 . 1 . . . . . . . . 5933 1 196 . 1 1 17 17 ILE HG21 H 1 0.73 0.02 . 1 . . . . . . . . 5933 1 197 . 1 1 17 17 ILE HG22 H 1 0.73 0.02 . 1 . . . . . . . . 5933 1 198 . 1 1 17 17 ILE HG23 H 1 0.73 0.02 . 1 . . . . . . . . 5933 1 199 . 1 1 17 17 ILE CD1 C 13 15.05 0.2 . 1 . . . . . . . . 5933 1 200 . 1 1 17 17 ILE HD11 H 1 0.44 0.02 . 1 . . . . . . . . 5933 1 201 . 1 1 17 17 ILE HD12 H 1 0.44 0.02 . 1 . . . . . . . . 5933 1 202 . 1 1 17 17 ILE HD13 H 1 0.44 0.02 . 1 . . . . . . . . 5933 1 203 . 1 1 17 17 ILE C C 13 176.0 0.2 . 1 . . . . . . . . 5933 1 204 . 1 1 18 18 GLY N N 15 110.5 0.1 . 1 . . . . . . . . 5933 1 205 . 1 1 18 18 GLY H H 1 7.65 0.02 . 1 . . . . . . . . 5933 1 206 . 1 1 18 18 GLY CA C 13 47.82 0.2 . 1 . . . . . . . . 5933 1 207 . 1 1 18 18 GLY HA2 H 1 4.11 0.02 . 2 . . . . . . . . 5933 1 208 . 1 1 18 18 GLY C C 13 176.47 0.2 . 1 . . . . . . . . 5933 1 209 . 1 1 19 19 CYS N N 15 115.14 0.1 . 1 . . . . . . . . 5933 1 210 . 1 1 19 19 CYS H H 1 8.36 0.02 . 1 . . . . . . . . 5933 1 211 . 1 1 19 19 CYS CA C 13 59.2 0.2 . 1 . . . . . . . . 5933 1 212 . 1 1 19 19 CYS HA H 1 5.22 0.02 . 1 . . . . . . . . 5933 1 213 . 1 1 19 19 CYS CB C 13 30.3 0.2 . 1 . . . . . . . . 5933 1 214 . 1 1 19 19 CYS HB2 H 1 2.40 0.02 . 1 . . . . . . . . 5933 1 215 . 1 1 19 19 CYS HB3 H 1 3.55 0.02 . 1 . . . . . . . . 5933 1 216 . 1 1 19 19 CYS C C 13 174.9 0.2 . 1 . . . . . . . . 5933 1 217 . 1 1 20 20 THR N N 15 112.1 0.1 . 1 . . . . . . . . 5933 1 218 . 1 1 20 20 THR H H 1 8.00 0.02 . 1 . . . . . . . . 5933 1 219 . 1 1 20 20 THR CA C 13 65.81 0.2 . 1 . . . . . . . . 5933 1 220 . 1 1 20 20 THR HA H 1 4.32 0.02 . 1 . . . . . . . . 5933 1 221 . 1 1 20 20 THR CB C 13 68.62 0.2 . 1 . . . . . . . . 5933 1 222 . 1 1 20 20 THR HB H 1 3.67 0.02 . 1 . . . . . . . . 5933 1 223 . 1 1 20 20 THR CG2 C 13 22.97 0.2 . 1 . . . . . . . . 5933 1 224 . 1 1 20 20 THR HG21 H 1 1.29 0.02 . 1 . . . . . . . . 5933 1 225 . 1 1 20 20 THR HG22 H 1 1.29 0.02 . 1 . . . . . . . . 5933 1 226 . 1 1 20 20 THR HG23 H 1 1.29 0.02 . 1 . . . . . . . . 5933 1 227 . 1 1 20 20 THR C C 13 175.9 0.2 . 1 . . . . . . . . 5933 1 228 . 1 1 21 21 GLN N N 15 122.94 0.1 . 1 . . . . . . . . 5933 1 229 . 1 1 21 21 GLN H H 1 9.81 0.02 . 1 . . . . . . . . 5933 1 230 . 1 1 21 21 GLN CA C 13 58.31 0.2 . 1 . . . . . . . . 5933 1 231 . 1 1 21 21 GLN HA H 1 4.26 0.02 . 1 . . . . . . . . 5933 1 232 . 1 1 21 21 GLN CB C 13 27.02 0.2 . 1 . . . . . . . . 5933 1 233 . 1 1 21 21 GLN HB2 H 1 1.76 0.02 . 1 . . . . . . . . 5933 1 234 . 1 1 21 21 GLN HB3 H 1 1.94 0.02 . 1 . . . . . . . . 5933 1 235 . 1 1 21 21 GLN CG C 13 31.50 0.2 . 1 . . . . . . . . 5933 1 236 . 1 1 21 21 GLN HG2 H 1 1.93 0.02 . 1 . . . . . . . . 5933 1 237 . 1 1 21 21 GLN HG3 H 1 1.79 0.02 . 1 . . . . . . . . 5933 1 238 . 1 1 21 21 GLN NE2 N 15 112.47 0.1 . 1 . . . . . . . . 5933 1 239 . 1 1 21 21 GLN HE22 H 1 7.18 0.02 . 1 . . . . . . . . 5933 1 240 . 1 1 21 21 GLN HE21 H 1 7.25 0.02 . 1 . . . . . . . . 5933 1 241 . 1 1 21 21 GLN C C 13 176.64 0.2 . 1 . . . . . . . . 5933 1 242 . 1 1 22 22 TYR N N 15 118.02 0.1 . 1 . . . . . . . . 5933 1 243 . 1 1 22 22 TYR H H 1 7.11 0.02 . 1 . . . . . . . . 5933 1 244 . 1 1 22 22 TYR CA C 13 57.00 0.2 . 1 . . . . . . . . 5933 1 245 . 1 1 22 22 TYR HA H 1 5.07 0.02 . 1 . . . . . . . . 5933 1 246 . 1 1 22 22 TYR CB C 13 39.24 0.2 . 1 . . . . . . . . 5933 1 247 . 1 1 22 22 TYR HB2 H 1 2.65 0.02 . 1 . . . . . . . . 5933 1 248 . 1 1 22 22 TYR HB3 H 1 3.76 0.02 . 1 . . . . . . . . 5933 1 249 . 1 1 22 22 TYR CD1 C 13 131.0 0.2 . 3 . . . . . . . . 5933 1 250 . 1 1 22 22 TYR HD1 H 1 7.36 0.02 . 2 . . . . . . . . 5933 1 251 . 1 1 22 22 TYR CE1 C 13 116.27 0.2 . 3 . . . . . . . . 5933 1 252 . 1 1 22 22 TYR HE1 H 1 6.97 0.02 . 2 . . . . . . . . 5933 1 253 . 1 1 22 22 TYR C C 13 175.65 0.2 . 1 . . . . . . . . 5933 1 254 . 1 1 23 23 LEU N N 15 121.43 0.1 . 1 . . . . . . . . 5933 1 255 . 1 1 23 23 LEU H H 1 7.86 0.02 . 1 . . . . . . . . 5933 1 256 . 1 1 23 23 LEU CA C 13 59.75 0.2 . 1 . . . . . . . . 5933 1 257 . 1 1 23 23 LEU HA H 1 3.82 0.02 . 1 . . . . . . . . 5933 1 258 . 1 1 23 23 LEU CB C 13 42.65 0.2 . 1 . . . . . . . . 5933 1 259 . 1 1 23 23 LEU HB2 H 1 1.63 0.02 . 1 . . . . . . . . 5933 1 260 . 1 1 23 23 LEU HB3 H 1 2.05 0.02 . 1 . . . . . . . . 5933 1 261 . 1 1 23 23 LEU CG C 13 27.01 0.2 . 1 . . . . . . . . 5933 1 262 . 1 1 23 23 LEU HG H 1 1.60 0.02 . 2 . . . . . . . . 5933 1 263 . 1 1 23 23 LEU CD1 C 13 25.25 0.2 . 1 . . . . . . . . 5933 1 264 . 1 1 23 23 LEU CD2 C 13 23.70 0.2 . 1 . . . . . . . . 5933 1 265 . 1 1 23 23 LEU HD11 H 1 0.91 0.02 . 1 . . . . . . . . 5933 1 266 . 1 1 23 23 LEU HD12 H 1 0.91 0.02 . 1 . . . . . . . . 5933 1 267 . 1 1 23 23 LEU HD13 H 1 0.91 0.02 . 1 . . . . . . . . 5933 1 268 . 1 1 23 23 LEU HD21 H 1 0.96 0.02 . 1 . . . . . . . . 5933 1 269 . 1 1 23 23 LEU HD22 H 1 0.96 0.02 . 1 . . . . . . . . 5933 1 270 . 1 1 23 23 LEU HD23 H 1 0.96 0.02 . 1 . . . . . . . . 5933 1 271 . 1 1 23 23 LEU C C 13 177.48 0.2 . 1 . . . . . . . . 5933 1 272 . 1 1 24 24 ASP N N 15 116.24 0.1 . 1 . . . . . . . . 5933 1 273 . 1 1 24 24 ASP H H 1 8.85 0.02 . 1 . . . . . . . . 5933 1 274 . 1 1 24 24 ASP CA C 13 58.28 0.2 . 1 . . . . . . . . 5933 1 275 . 1 1 24 24 ASP HA H 1 4.45 0.02 . 1 . . . . . . . . 5933 1 276 . 1 1 24 24 ASP CB C 13 40.24 0.2 . 1 . . . . . . . . 5933 1 277 . 1 1 24 24 ASP HB2 H 1 2.75 0.02 . 2 . . . . . . . . 5933 1 278 . 1 1 24 24 ASP C C 13 178.86 0.2 . 1 . . . . . . . . 5933 1 279 . 1 1 25 25 SER N N 15 115.56 0.1 . 1 . . . . . . . . 5933 1 280 . 1 1 25 25 SER H H 1 8.17 0.02 . 1 . . . . . . . . 5933 1 281 . 1 1 25 25 SER CA C 13 62.10 0.2 . 1 . . . . . . . . 5933 1 282 . 1 1 25 25 SER HA H 1 4.38 0.02 . 1 . . . . . . . . 5933 1 283 . 1 1 25 25 SER CB C 13 63.39 0.2 . 1 . . . . . . . . 5933 1 284 . 1 1 25 25 SER HB2 H 1 4.19 0.02 . 1 . . . . . . . . 5933 1 285 . 1 1 25 25 SER HB3 H 1 4.28 0.02 . 1 . . . . . . . . 5933 1 286 . 1 1 25 25 SER C C 13 177.58 0.2 . 1 . . . . . . . . 5933 1 287 . 1 1 26 26 PHE N N 15 121.16 0.1 . 1 . . . . . . . . 5933 1 288 . 1 1 26 26 PHE H H 1 8.23 0.02 . 1 . . . . . . . . 5933 1 289 . 1 1 26 26 PHE CA C 13 62.9 0.2 . 1 . . . . . . . . 5933 1 290 . 1 1 26 26 PHE HA H 1 4.02 0.02 . 1 . . . . . . . . 5933 1 291 . 1 1 26 26 PHE CB C 13 38.3 0.2 . 1 . . . . . . . . 5933 1 292 . 1 1 26 26 PHE HB2 H 1 3.4 0.02 . 1 . . . . . . . . 5933 1 293 . 1 1 26 26 PHE HB3 H 1 3.5 0.02 . 1 . . . . . . . . 5933 1 294 . 1 1 26 26 PHE CD1 C 13 130.6 0.2 . 3 . . . . . . . . 5933 1 295 . 1 1 26 26 PHE HD1 H 1 7.73 0.02 . 2 . . . . . . . . 5933 1 296 . 1 1 26 26 PHE CE1 C 13 127.82 0.2 . 3 . . . . . . . . 5933 1 297 . 1 1 26 26 PHE HE1 H 1 7.02 0.02 . 2 . . . . . . . . 5933 1 298 . 1 1 26 26 PHE C C 13 178.88 0.2 . 1 . . . . . . . . 5933 1 299 . 1 1 27 27 ILE N N 15 118.02 0.1 . 1 . . . . . . . . 5933 1 300 . 1 1 27 27 ILE H H 1 8.46 0.02 . 1 . . . . . . . . 5933 1 301 . 1 1 27 27 ILE CA C 13 65.33 0.2 . 1 . . . . . . . . 5933 1 302 . 1 1 27 27 ILE HA H 1 3.58 0.02 . 1 . . . . . . . . 5933 1 303 . 1 1 27 27 ILE CB C 13 37.42 0.2 . 1 . . . . . . . . 5933 1 304 . 1 1 27 27 ILE HB H 1 2.09 0.02 . 1 . . . . . . . . 5933 1 305 . 1 1 27 27 ILE CG1 C 13 29.02 0.2 . 1 . . . . . . . . 5933 1 306 . 1 1 27 27 ILE CG2 C 13 17.23 0.2 . 1 . . . . . . . . 5933 1 307 . 1 1 27 27 ILE HG12 H 1 1.79 0.02 . 1 . . . . . . . . 5933 1 308 . 1 1 27 27 ILE HG13 H 1 1.26 0.02 . 1 . . . . . . . . 5933 1 309 . 1 1 27 27 ILE HG21 H 1 0.99 0.02 . 1 . . . . . . . . 5933 1 310 . 1 1 27 27 ILE HG22 H 1 0.99 0.02 . 1 . . . . . . . . 5933 1 311 . 1 1 27 27 ILE HG23 H 1 0.99 0.02 . 1 . . . . . . . . 5933 1 312 . 1 1 27 27 ILE CD1 C 13 12.60 0.2 . 1 . . . . . . . . 5933 1 313 . 1 1 27 27 ILE HD11 H 1 0.92 0.02 . 1 . . . . . . . . 5933 1 314 . 1 1 27 27 ILE HD12 H 1 0.92 0.02 . 1 . . . . . . . . 5933 1 315 . 1 1 27 27 ILE HD13 H 1 0.92 0.02 . 1 . . . . . . . . 5933 1 316 . 1 1 27 27 ILE C C 13 177.0 0.2 . 1 . . . . . . . . 5933 1 317 . 1 1 28 28 GLN N N 15 120.48 0.1 . 1 . . . . . . . . 5933 1 318 . 1 1 28 28 GLN H H 1 8.69 0.02 . 1 . . . . . . . . 5933 1 319 . 1 1 28 28 GLN CA C 13 58.86 0.2 . 1 . . . . . . . . 5933 1 320 . 1 1 28 28 GLN HA H 1 4.15 0.02 . 1 . . . . . . . . 5933 1 321 . 1 1 28 28 GLN CB C 13 28.66 0.2 . 1 . . . . . . . . 5933 1 322 . 1 1 28 28 GLN HB2 H 1 2.27 0.02 . 2 . . . . . . . . 5933 1 323 . 1 1 28 28 GLN CG C 13 33.13 0.2 . 1 . . . . . . . . 5933 1 324 . 1 1 28 28 GLN HG2 H 1 2.59 0.02 . 2 . . . . . . . . 5933 1 325 . 1 1 28 28 GLN NE2 N 15 111.79 0.1 . 1 . . . . . . . . 5933 1 326 . 1 1 28 28 GLN HE21 H 1 7.63 0.02 . 1 . . . . . . . . 5933 1 327 . 1 1 28 28 GLN HE22 H 1 6.90 0.02 . 1 . . . . . . . . 5933 1 328 . 1 1 28 28 GLN C C 13 177.34 0.2 . 1 . . . . . . . . 5933 1 329 . 1 1 29 29 CYS N N 15 113.78 0.1 . 1 . . . . . . . . 5933 1 330 . 1 1 29 29 CYS H H 1 7.37 0.02 . 1 . . . . . . . . 5933 1 331 . 1 1 29 29 CYS CA C 13 58.22 0.2 . 1 . . . . . . . . 5933 1 332 . 1 1 29 29 CYS HA H 1 4.59 0.02 . 1 . . . . . . . . 5933 1 333 . 1 1 29 29 CYS CB C 13 27.83 0.2 . 1 . . . . . . . . 5933 1 334 . 1 1 29 29 CYS HB2 H 1 2.7 0.02 . 1 . . . . . . . . 5933 1 335 . 1 1 29 29 CYS HB3 H 1 3.09 0.02 . 1 . . . . . . . . 5933 1 336 . 1 1 29 29 CYS C C 13 174.0 0.2 . 1 . . . . . . . . 5933 1 337 . 1 1 30 30 ASN N N 15 115.8 0.1 . 1 . . . . . . . . 5933 1 338 . 1 1 30 30 ASN H H 1 8.18 0.02 . 1 . . . . . . . . 5933 1 339 . 1 1 30 30 ASN CA C 13 54.7 0.2 . 1 . . . . . . . . 5933 1 340 . 1 1 30 30 ASN HA H 1 4.28 0.02 . 1 . . . . . . . . 5933 1 341 . 1 1 30 30 ASN CB C 13 37.65 0.2 . 1 . . . . . . . . 5933 1 342 . 1 1 30 30 ASN HB2 H 1 2.76 0.02 . 1 . . . . . . . . 5933 1 343 . 1 1 30 30 ASN HB3 H 1 3.25 0.02 . 1 . . . . . . . . 5933 1 344 . 1 1 30 30 ASN ND2 N 15 112.16 0.1 . 1 . . . . . . . . 5933 1 345 . 1 1 30 30 ASN HD21 H 1 7.67 0.02 . 1 . . . . . . . . 5933 1 346 . 1 1 30 30 ASN HD22 H 1 6.89 0.02 . 1 . . . . . . . . 5933 1 347 . 1 1 30 30 ASN C C 13 176.0 0.2 . 1 . . . . . . . . 5933 1 348 . 1 1 31 31 LEU N N 15 122.26 0.1 . 1 . . . . . . . . 5933 1 349 . 1 1 31 31 LEU H H 1 8.25 0.02 . 1 . . . . . . . . 5933 1 350 . 1 1 31 31 LEU CA C 13 53.5 0.2 . 1 . . . . . . . . 5933 1 351 . 1 1 31 31 LEU HA H 1 4.57 0.02 . 1 . . . . . . . . 5933 1 352 . 1 1 31 31 LEU CB C 13 42.00 0.2 . 1 . . . . . . . . 5933 1 353 . 1 1 31 31 LEU HB2 H 1 1.35 0.02 . 1 . . . . . . . . 5933 1 354 . 1 1 31 31 LEU HB3 H 1 1.85 0.02 . 1 . . . . . . . . 5933 1 355 . 1 1 31 31 LEU CG C 13 26.75 0.2 . 1 . . . . . . . . 5933 1 356 . 1 1 31 31 LEU HG H 1 1.75 0.02 . 2 . . . . . . . . 5933 1 357 . 1 1 31 31 LEU CD1 C 13 23.5 0.2 . 1 . . . . . . . . 5933 1 358 . 1 1 31 31 LEU CD2 C 13 25.3 0.2 . 1 . . . . . . . . 5933 1 359 . 1 1 31 31 LEU HD11 H 1 0.93 0.02 . 1 . . . . . . . . 5933 1 360 . 1 1 31 31 LEU HD12 H 1 0.93 0.02 . 1 . . . . . . . . 5933 1 361 . 1 1 31 31 LEU HD13 H 1 0.93 0.02 . 1 . . . . . . . . 5933 1 362 . 1 1 31 31 LEU HD21 H 1 0.98 0.02 . 1 . . . . . . . . 5933 1 363 . 1 1 31 31 LEU HD22 H 1 0.98 0.02 . 1 . . . . . . . . 5933 1 364 . 1 1 31 31 LEU HD23 H 1 0.98 0.02 . 1 . . . . . . . . 5933 1 365 . 1 1 32 32 VAL N N 15 109.40 0.1 . 1 . . . . . . . . 5933 1 366 . 1 1 32 32 VAL H H 1 7.63 0.02 . 1 . . . . . . . . 5933 1 367 . 1 1 32 32 VAL CA C 13 61.86 0.2 . 1 . . . . . . . . 5933 1 368 . 1 1 32 32 VAL HA H 1 4.58 0.02 . 1 . . . . . . . . 5933 1 369 . 1 1 32 32 VAL CB C 13 35.07 0.2 . 1 . . . . . . . . 5933 1 370 . 1 1 32 32 VAL HB H 1 2.35 0.02 . 1 . . . . . . . . 5933 1 371 . 1 1 32 32 VAL CG1 C 13 19.99 0.2 . 1 . . . . . . . . 5933 1 372 . 1 1 32 32 VAL CG2 C 13 22.52 0.2 . 1 . . . . . . . . 5933 1 373 . 1 1 32 32 VAL HG11 H 1 1.00 0.02 . 1 . . . . . . . . 5933 1 374 . 1 1 32 32 VAL HG12 H 1 1.00 0.02 . 1 . . . . . . . . 5933 1 375 . 1 1 32 32 VAL HG13 H 1 1.00 0.02 . 1 . . . . . . . . 5933 1 376 . 1 1 32 32 VAL HG21 H 1 1.07 0.02 . 1 . . . . . . . . 5933 1 377 . 1 1 32 32 VAL HG22 H 1 1.07 0.02 . 1 . . . . . . . . 5933 1 378 . 1 1 32 32 VAL HG23 H 1 1.07 0.02 . 1 . . . . . . . . 5933 1 379 . 1 1 32 32 VAL C C 13 178.4 0.2 . 1 . . . . . . . . 5933 1 380 . 1 1 33 33 THR N N 15 110.22 0.1 . 1 . . . . . . . . 5933 1 381 . 1 1 33 33 THR H H 1 8.19 0.02 . 1 . . . . . . . . 5933 1 382 . 1 1 33 33 THR CA C 13 60.28 0.2 . 1 . . . . . . . . 5933 1 383 . 1 1 33 33 THR HA H 1 4.71 0.02 . 1 . . . . . . . . 5933 1 384 . 1 1 33 33 THR CB C 13 72.14 0.2 . 1 . . . . . . . . 5933 1 385 . 1 1 33 33 THR HB H 1 4.55 0.02 . 1 . . . . . . . . 5933 1 386 . 1 1 33 33 THR CG2 C 13 22.0 0.2 . 1 . . . . . . . . 5933 1 387 . 1 1 33 33 THR HG21 H 1 1.34 0.02 . 1 . . . . . . . . 5933 1 388 . 1 1 33 33 THR HG22 H 1 1.34 0.02 . 1 . . . . . . . . 5933 1 389 . 1 1 33 33 THR HG23 H 1 1.34 0.02 . 1 . . . . . . . . 5933 1 390 . 1 1 33 33 THR C C 13 175.0 0.2 . 1 . . . . . . . . 5933 1 391 . 1 1 34 34 GLU N N 15 121.98 0.1 . 1 . . . . . . . . 5933 1 392 . 1 1 34 34 GLU H H 1 8.76 0.02 . 1 . . . . . . . . 5933 1 393 . 1 1 34 34 GLU CA C 13 60.12 0.2 . 1 . . . . . . . . 5933 1 394 . 1 1 34 34 GLU HA H 1 2.85 0.02 . 1 . . . . . . . . 5933 1 395 . 1 1 34 34 GLU CB C 13 29.08 0.2 . 1 . . . . . . . . 5933 1 396 . 1 1 34 34 GLU HB2 H 1 0.83 0.02 . 1 . . . . . . . . 5933 1 397 . 1 1 34 34 GLU HB3 H 1 1.30 0.02 . 1 . . . . . . . . 5933 1 398 . 1 1 34 34 GLU CG C 13 35.15 0.2 . 1 . . . . . . . . 5933 1 399 . 1 1 34 34 GLU HG2 H 1 1.20 0.02 . 1 . . . . . . . . 5933 1 400 . 1 1 34 34 GLU HG3 H 1 1.54 0.02 . 1 . . . . . . . . 5933 1 401 . 1 1 34 34 GLU C C 13 177.78 0.2 . 1 . . . . . . . . 5933 1 402 . 1 1 35 35 GLU N N 15 115.28 0.1 . 1 . . . . . . . . 5933 1 403 . 1 1 35 35 GLU H H 1 7.95 0.02 . 1 . . . . . . . . 5933 1 404 . 1 1 35 35 GLU CA C 13 59.28 0.2 . 1 . . . . . . . . 5933 1 405 . 1 1 35 35 GLU HA H 1 3.84 0.02 . 1 . . . . . . . . 5933 1 406 . 1 1 35 35 GLU CB C 13 29.5 0.2 . 1 . . . . . . . . 5933 1 407 . 1 1 35 35 GLU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 5933 1 408 . 1 1 35 35 GLU CG C 13 36.3 0.2 . 1 . . . . . . . . 5933 1 409 . 1 1 35 35 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 5933 1 410 . 1 1 35 35 GLU HG3 H 1 2.37 0.02 . 1 . . . . . . . . 5933 1 411 . 1 1 35 35 GLU C C 13 177.4 0.2 . 1 . . . . . . . . 5933 1 412 . 1 1 36 36 GLU N N 15 114.74 0.1 . 1 . . . . . . . . 5933 1 413 . 1 1 36 36 GLU H H 1 7.28 0.02 . 1 . . . . . . . . 5933 1 414 . 1 1 36 36 GLU CA C 13 58.57 0.2 . 1 . . . . . . . . 5933 1 415 . 1 1 36 36 GLU HA H 1 4.23 0.02 . 1 . . . . . . . . 5933 1 416 . 1 1 36 36 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 5933 1 417 . 1 1 36 36 GLU HB2 H 1 2.03 0.02 . 1 . . . . . . . . 5933 1 418 . 1 1 36 36 GLU HB3 H 1 2.30 0.02 . 1 . . . . . . . . 5933 1 419 . 1 1 36 36 GLU CG C 13 36.3 0.2 . 1 . . . . . . . . 5933 1 420 . 1 1 36 36 GLU HG2 H 1 2.32 0.02 . 2 . . . . . . . . 5933 1 421 . 1 1 36 36 GLU C C 13 179.2 0.2 . 1 . . . . . . . . 5933 1 422 . 1 1 37 37 ILE N N 15 119.11 0.1 . 1 . . . . . . . . 5933 1 423 . 1 1 37 37 ILE H H 1 8.09 0.02 . 1 . . . . . . . . 5933 1 424 . 1 1 37 37 ILE CA C 13 62.33 0.2 . 1 . . . . . . . . 5933 1 425 . 1 1 37 37 ILE HA H 1 3.66 0.02 . 1 . . . . . . . . 5933 1 426 . 1 1 37 37 ILE CB C 13 36.89 0.2 . 1 . . . . . . . . 5933 1 427 . 1 1 37 37 ILE HB H 1 1.73 0.02 . 1 . . . . . . . . 5933 1 428 . 1 1 37 37 ILE CG1 C 13 30.23 0.2 . 1 . . . . . . . . 5933 1 429 . 1 1 37 37 ILE CG2 C 13 17.83 0.2 . 1 . . . . . . . . 5933 1 430 . 1 1 37 37 ILE HG12 H 1 1.15 0.02 . 2 . . . . . . . . 5933 1 431 . 1 1 37 37 ILE HG21 H 1 0.25 0.02 . 1 . . . . . . . . 5933 1 432 . 1 1 37 37 ILE HG22 H 1 0.25 0.02 . 1 . . . . . . . . 5933 1 433 . 1 1 37 37 ILE HG23 H 1 0.25 0.02 . 1 . . . . . . . . 5933 1 434 . 1 1 37 37 ILE CD1 C 13 11.7 0.2 . 1 . . . . . . . . 5933 1 435 . 1 1 37 37 ILE HD11 H 1 0.56 0.02 . 1 . . . . . . . . 5933 1 436 . 1 1 37 37 ILE HD12 H 1 0.56 0.02 . 1 . . . . . . . . 5933 1 437 . 1 1 37 37 ILE HD13 H 1 0.56 0.02 . 1 . . . . . . . . 5933 1 438 . 1 1 37 37 ILE C C 13 177.4 0.2 . 1 . . . . . . . . 5933 1 439 . 1 1 38 38 LYS N N 15 117.6 0.1 . 1 . . . . . . . . 5933 1 440 . 1 1 38 38 LYS H H 1 7.92 0.02 . 1 . . . . . . . . 5933 1 441 . 1 1 38 38 LYS CA C 13 58.8 0.2 . 1 . . . . . . . . 5933 1 442 . 1 1 38 38 LYS HA H 1 4.11 0.02 . 1 . . . . . . . . 5933 1 443 . 1 1 38 38 LYS CB C 13 32.6 0.2 . 1 . . . . . . . . 5933 1 444 . 1 1 38 38 LYS HB2 H 1 1.48 0.02 . 1 . . . . . . . . 5933 1 445 . 1 1 38 38 LYS HB3 H 1 1.70 0.02 . 1 . . . . . . . . 5933 1 446 . 1 1 38 38 LYS CG C 13 24.5 0.2 . 1 . . . . . . . . 5933 1 447 . 1 1 38 38 LYS HG2 H 1 0.78 0.02 . 1 . . . . . . . . 5933 1 448 . 1 1 38 38 LYS HG3 H 1 1.13 0.02 . 1 . . . . . . . . 5933 1 449 . 1 1 38 38 LYS CD C 13 30.01 0.2 . 1 . . . . . . . . 5933 1 450 . 1 1 38 38 LYS HD2 H 1 1.51 0.02 . 1 . . . . . . . . 5933 1 451 . 1 1 38 38 LYS HD3 H 1 1.73 0.02 . 1 . . . . . . . . 5933 1 452 . 1 1 38 38 LYS CE C 13 42.2 0.2 . 1 . . . . . . . . 5933 1 453 . 1 1 38 38 LYS HE2 H 1 2.77 0.02 . 1 . . . . . . . . 5933 1 454 . 1 1 38 38 LYS HE3 H 1 2.87 0.02 . 1 . . . . . . . . 5933 1 455 . 1 1 38 38 LYS C C 13 176.7 0.2 . 1 . . . . . . . . 5933 1 456 . 1 1 39 39 TYR N N 15 115.14 0.1 . 1 . . . . . . . . 5933 1 457 . 1 1 39 39 TYR H H 1 7.00 0.02 . 1 . . . . . . . . 5933 1 458 . 1 1 39 39 TYR CA C 13 57.63 0.2 . 1 . . . . . . . . 5933 1 459 . 1 1 39 39 TYR HA H 1 4.77 0.02 . 1 . . . . . . . . 5933 1 460 . 1 1 39 39 TYR CB C 13 38.18 0.2 . 1 . . . . . . . . 5933 1 461 . 1 1 39 39 TYR HB2 H 1 2.64 0.02 . 1 . . . . . . . . 5933 1 462 . 1 1 39 39 TYR HB3 H 1 3.47 0.02 . 1 . . . . . . . . 5933 1 463 . 1 1 39 39 TYR CD1 C 13 131.32 0.2 . 3 . . . . . . . . 5933 1 464 . 1 1 39 39 TYR HD1 H 1 7.32 0.02 . 2 . . . . . . . . 5933 1 465 . 1 1 39 39 TYR CE1 C 13 115.8 0.2 . 3 . . . . . . . . 5933 1 466 . 1 1 39 39 TYR HE1 H 1 6.89 0.02 . 2 . . . . . . . . 5933 1 467 . 1 1 39 39 TYR C C 13 175.8 0.2 . 1 . . . . . . . . 5933 1 468 . 1 1 40 40 LEU N N 15 118.7 0.1 . 1 . . . . . . . . 5933 1 469 . 1 1 40 40 LEU H H 1 7.32 0.02 . 1 . . . . . . . . 5933 1 470 . 1 1 40 40 LEU CA C 13 56.69 0.2 . 1 . . . . . . . . 5933 1 471 . 1 1 40 40 LEU HA H 1 4.07 0.02 . 1 . . . . . . . . 5933 1 472 . 1 1 40 40 LEU CB C 13 44.0 0.2 . 1 . . . . . . . . 5933 1 473 . 1 1 40 40 LEU HB2 H 1 1.23 0.02 . 1 . . . . . . . . 5933 1 474 . 1 1 40 40 LEU HB3 H 1 1.95 0.02 . 1 . . . . . . . . 5933 1 475 . 1 1 40 40 LEU CG C 13 26.5 0.2 . 1 . . . . . . . . 5933 1 476 . 1 1 40 40 LEU HG H 1 2.33 0.02 . 2 . . . . . . . . 5933 1 477 . 1 1 40 40 LEU CD1 C 13 24.0 0.2 . 1 . . . . . . . . 5933 1 478 . 1 1 40 40 LEU CD2 C 13 27.05 0.2 . 1 . . . . . . . . 5933 1 479 . 1 1 40 40 LEU HD11 H 1 0.90 0.02 . 1 . . . . . . . . 5933 1 480 . 1 1 40 40 LEU HD12 H 1 0.90 0.02 . 1 . . . . . . . . 5933 1 481 . 1 1 40 40 LEU HD13 H 1 0.90 0.02 . 1 . . . . . . . . 5933 1 482 . 1 1 40 40 LEU HD21 H 1 0.68 0.02 . 1 . . . . . . . . 5933 1 483 . 1 1 40 40 LEU HD22 H 1 0.68 0.02 . 1 . . . . . . . . 5933 1 484 . 1 1 40 40 LEU HD23 H 1 0.68 0.02 . 1 . . . . . . . . 5933 1 485 . 1 1 40 40 LEU C C 13 175.4 0.2 . 1 . . . . . . . . 5933 1 486 . 1 1 41 41 ASP N N 15 115.56 0.1 . 1 . . . . . . . . 5933 1 487 . 1 1 41 41 ASP H H 1 6.85 0.02 . 1 . . . . . . . . 5933 1 488 . 1 1 41 41 ASP CA C 13 52.5 0.2 . 1 . . . . . . . . 5933 1 489 . 1 1 41 41 ASP HA H 1 4.73 0.02 . 1 . . . . . . . . 5933 1 490 . 1 1 41 41 ASP CB C 13 43.65 0.2 . 1 . . . . . . . . 5933 1 491 . 1 1 41 41 ASP HB2 H 1 2.79 0.02 . 1 . . . . . . . . 5933 1 492 . 1 1 41 41 ASP HB3 H 1 3.19 0.02 . 1 . . . . . . . . 5933 1 493 . 1 1 41 41 ASP C C 13 176.0 0.2 . 1 . . . . . . . . 5933 1 494 . 1 1 42 42 LYS N N 15 117.33 0.1 . 1 . . . . . . . . 5933 1 495 . 1 1 42 42 LYS H H 1 8.94 0.02 . 1 . . . . . . . . 5933 1 496 . 1 1 42 42 LYS CA C 13 60.6 0.2 . 1 . . . . . . . . 5933 1 497 . 1 1 42 42 LYS HA H 1 3.87 0.02 . 1 . . . . . . . . 5933 1 498 . 1 1 42 42 LYS CB C 13 32.25 0.2 . 1 . . . . . . . . 5933 1 499 . 1 1 42 42 LYS HB2 H 1 1.86 0.02 . 1 . . . . . . . . 5933 1 500 . 1 1 42 42 LYS HB3 H 1 2.00 0.02 . 1 . . . . . . . . 5933 1 501 . 1 1 42 42 LYS CG C 13 24.57 0.2 . 1 . . . . . . . . 5933 1 502 . 1 1 42 42 LYS HG2 H 1 1.45 0.02 . 2 . . . . . . . . 5933 1 503 . 1 1 42 42 LYS CD C 13 29.6 0.2 . 1 . . . . . . . . 5933 1 504 . 1 1 42 42 LYS HD2 H 1 1.71 0.02 . 2 . . . . . . . . 5933 1 505 . 1 1 42 42 LYS CE C 13 42.2 0.2 . 1 . . . . . . . . 5933 1 506 . 1 1 42 42 LYS HE2 H 1 2.77 0.02 . 1 . . . . . . . . 5933 1 507 . 1 1 42 42 LYS HE3 H 1 2.87 0.02 . 1 . . . . . . . . 5933 1 508 . 1 1 42 42 LYS C C 13 176.7 0.2 . 1 . . . . . . . . 5933 1 509 . 1 1 43 43 ASP N N 15 119.11 0.1 . 1 . . . . . . . . 5933 1 510 . 1 1 43 43 ASP H H 1 8.01 0.02 . 1 . . . . . . . . 5933 1 511 . 1 1 43 43 ASP CA C 13 58.16 0.2 . 1 . . . . . . . . 5933 1 512 . 1 1 43 43 ASP HA H 1 4.45 0.02 . 1 . . . . . . . . 5933 1 513 . 1 1 43 43 ASP CB C 13 41.5 0.2 . 1 . . . . . . . . 5933 1 514 . 1 1 43 43 ASP HB2 H 1 2.62 0.02 . 1 . . . . . . . . 5933 1 515 . 1 1 43 43 ASP HB3 H 1 2.79 0.02 . 1 . . . . . . . . 5933 1 516 . 1 1 43 43 ASP C C 13 180.0 0.2 . 1 . . . . . . . . 5933 1 517 . 1 1 44 44 ILE N N 15 123.0 0.1 . 1 . . . . . . . . 5933 1 518 . 1 1 44 44 ILE H H 1 8.67 0.02 . 1 . . . . . . . . 5933 1 519 . 1 1 44 44 ILE CA C 13 64.39 0.2 . 1 . . . . . . . . 5933 1 520 . 1 1 44 44 ILE HA H 1 3.9 0.02 . 1 . . . . . . . . 5933 1 521 . 1 1 44 44 ILE CB C 13 38.83 0.2 . 1 . . . . . . . . 5933 1 522 . 1 1 44 44 ILE HB H 1 1.79 0.02 . 1 . . . . . . . . 5933 1 523 . 1 1 44 44 ILE CG1 C 13 29.43 0.2 . 1 . . . . . . . . 5933 1 524 . 1 1 44 44 ILE CG2 C 13 18.12 0.2 . 1 . . . . . . . . 5933 1 525 . 1 1 44 44 ILE HG12 H 1 1.18 0.02 . 1 . . . . . . . . 5933 1 526 . 1 1 44 44 ILE HG13 H 1 1.80 0.02 . 1 . . . . . . . . 5933 1 527 . 1 1 44 44 ILE HG21 H 1 0.91 0.02 . 1 . . . . . . . . 5933 1 528 . 1 1 44 44 ILE HG22 H 1 0.91 0.02 . 1 . . . . . . . . 5933 1 529 . 1 1 44 44 ILE HG23 H 1 0.91 0.02 . 1 . . . . . . . . 5933 1 530 . 1 1 44 44 ILE CD1 C 13 13.77 0.2 . 1 . . . . . . . . 5933 1 531 . 1 1 44 44 ILE HD11 H 1 0.93 0.02 . 1 . . . . . . . . 5933 1 532 . 1 1 44 44 ILE HD12 H 1 0.93 0.02 . 1 . . . . . . . . 5933 1 533 . 1 1 44 44 ILE HD13 H 1 0.93 0.02 . 1 . . . . . . . . 5933 1 534 . 1 1 44 44 ILE C C 13 177.6 0.2 . 1 . . . . . . . . 5933 1 535 . 1 1 45 45 LEU N N 15 116.3 0.1 . 1 . . . . . . . . 5933 1 536 . 1 1 45 45 LEU H H 1 7.56 0.02 . 1 . . . . . . . . 5933 1 537 . 1 1 45 45 LEU CA C 13 58.04 0.2 . 1 . . . . . . . . 5933 1 538 . 1 1 45 45 LEU HA H 1 3.90 0.02 . 1 . . . . . . . . 5933 1 539 . 1 1 45 45 LEU CB C 13 41.06 0.2 . 1 . . . . . . . . 5933 1 540 . 1 1 45 45 LEU HB2 H 1 1.19 0.02 . 1 . . . . . . . . 5933 1 541 . 1 1 45 45 LEU HB3 H 1 2.05 0.02 . 1 . . . . . . . . 5933 1 542 . 1 1 45 45 LEU CG C 13 26.78 0.2 . 1 . . . . . . . . 5933 1 543 . 1 1 45 45 LEU HG H 1 1.87 0.02 . 2 . . . . . . . . 5933 1 544 . 1 1 45 45 LEU CD1 C 13 22.95 0.2 . 1 . . . . . . . . 5933 1 545 . 1 1 45 45 LEU CD2 C 13 25.38 0.2 . 1 . . . . . . . . 5933 1 546 . 1 1 45 45 LEU HD11 H 1 0.93 0.02 . 1 . . . . . . . . 5933 1 547 . 1 1 45 45 LEU HD12 H 1 0.93 0.02 . 1 . . . . . . . . 5933 1 548 . 1 1 45 45 LEU HD13 H 1 0.93 0.02 . 1 . . . . . . . . 5933 1 549 . 1 1 45 45 LEU HD21 H 1 0.97 0.02 . 1 . . . . . . . . 5933 1 550 . 1 1 45 45 LEU HD22 H 1 0.97 0.02 . 1 . . . . . . . . 5933 1 551 . 1 1 45 45 LEU HD23 H 1 0.97 0.02 . 1 . . . . . . . . 5933 1 552 . 1 1 45 45 LEU C C 13 180.0 0.2 . 1 . . . . . . . . 5933 1 553 . 1 1 46 46 ILE N N 15 120.1 0.1 . 1 . . . . . . . . 5933 1 554 . 1 1 46 46 ILE H H 1 8.37 0.02 . 1 . . . . . . . . 5933 1 555 . 1 1 46 46 ILE CA C 13 65.04 0.2 . 1 . . . . . . . . 5933 1 556 . 1 1 46 46 ILE HA H 1 3.53 0.02 . 1 . . . . . . . . 5933 1 557 . 1 1 46 46 ILE CB C 13 38.46 0.2 . 1 . . . . . . . . 5933 1 558 . 1 1 46 46 ILE HB H 1 1.93 0.02 . 1 . . . . . . . . 5933 1 559 . 1 1 46 46 ILE CG1 C 13 30.88 0.2 . 1 . . . . . . . . 5933 1 560 . 1 1 46 46 ILE CG2 C 13 16.75 0.2 . 1 . . . . . . . . 5933 1 561 . 1 1 46 46 ILE HG12 H 1 0.81 0.02 . 1 . . . . . . . . 5933 1 562 . 1 1 46 46 ILE HG13 H 1 2.19 0.02 . 1 . . . . . . . . 5933 1 563 . 1 1 46 46 ILE HG21 H 1 1.19 0.02 . 1 . . . . . . . . 5933 1 564 . 1 1 46 46 ILE HG22 H 1 1.19 0.02 . 1 . . . . . . . . 5933 1 565 . 1 1 46 46 ILE HG23 H 1 1.19 0.02 . 1 . . . . . . . . 5933 1 566 . 1 1 46 46 ILE CD1 C 13 14.88 0.2 . 1 . . . . . . . . 5933 1 567 . 1 1 46 46 ILE HD11 H 1 0.91 0.02 . 1 . . . . . . . . 5933 1 568 . 1 1 46 46 ILE HD12 H 1 0.91 0.02 . 1 . . . . . . . . 5933 1 569 . 1 1 46 46 ILE HD13 H 1 0.91 0.02 . 1 . . . . . . . . 5933 1 570 . 1 1 46 46 ILE C C 13 180.4 0.2 . 1 . . . . . . . . 5933 1 571 . 1 1 47 47 ALA N N 15 124.17 0.1 . 1 . . . . . . . . 5933 1 572 . 1 1 47 47 ALA H H 1 7.84 0.02 . 1 . . . . . . . . 5933 1 573 . 1 1 47 47 ALA CA C 13 55.28 0.2 . 1 . . . . . . . . 5933 1 574 . 1 1 47 47 ALA HA H 1 4.15 0.02 . 1 . . . . . . . . 5933 1 575 . 1 1 47 47 ALA CB C 13 18.03 0.2 . 1 . . . . . . . . 5933 1 576 . 1 1 47 47 ALA HB1 H 1 1.54 0.02 . 1 . . . . . . . . 5933 1 577 . 1 1 47 47 ALA HB2 H 1 1.54 0.02 . 1 . . . . . . . . 5933 1 578 . 1 1 47 47 ALA HB3 H 1 1.54 0.02 . 1 . . . . . . . . 5933 1 579 . 1 1 47 47 ALA C C 13 179.5 0.2 . 1 . . . . . . . . 5933 1 580 . 1 1 48 48 LEU N N 15 116.92 0.1 . 1 . . . . . . . . 5933 1 581 . 1 1 48 48 LEU H H 1 7.84 0.02 . 1 . . . . . . . . 5933 1 582 . 1 1 48 48 LEU CA C 13 55.81 0.2 . 1 . . . . . . . . 5933 1 583 . 1 1 48 48 LEU HA H 1 4.16 0.02 . 1 . . . . . . . . 5933 1 584 . 1 1 48 48 LEU CB C 13 43.06 0.2 . 1 . . . . . . . . 5933 1 585 . 1 1 48 48 LEU HB2 H 1 1.47 0.02 . 1 . . . . . . . . 5933 1 586 . 1 1 48 48 LEU HB3 H 1 1.75 0.02 . 1 . . . . . . . . 5933 1 587 . 1 1 48 48 LEU CG C 13 26.24 0.2 . 1 . . . . . . . . 5933 1 588 . 1 1 48 48 LEU C C 13 177.0 0.2 . 1 . . . . . . . . 5933 1 589 . 1 1 49 49 GLY N N 15 104.9 0.1 . 1 . . . . . . . . 5933 1 590 . 1 1 49 49 GLY H H 1 7.78 0.02 . 1 . . . . . . . . 5933 1 591 . 1 1 49 49 GLY CA C 13 45.29 0.2 . 1 . . . . . . . . 5933 1 592 . 1 1 49 49 GLY HA2 H 1 4.39 0.02 . 1 . . . . . . . . 5933 1 593 . 1 1 49 49 GLY HA3 H 1 3.72 0.02 . 1 . . . . . . . . 5933 1 594 . 1 1 49 49 GLY C C 13 174.7 0.2 . 1 . . . . . . . . 5933 1 595 . 1 1 50 50 VAL N N 15 120.61 0.1 . 1 . . . . . . . . 5933 1 596 . 1 1 50 50 VAL H H 1 8.11 0.02 . 1 . . . . . . . . 5933 1 597 . 1 1 50 50 VAL CA C 13 61.03 0.2 . 1 . . . . . . . . 5933 1 598 . 1 1 50 50 VAL HA H 1 3.94 0.02 . 1 . . . . . . . . 5933 1 599 . 1 1 50 50 VAL CB C 13 27.9 0.2 . 1 . . . . . . . . 5933 1 600 . 1 1 50 50 VAL HB H 1 1.86 0.02 . 1 . . . . . . . . 5933 1 601 . 1 1 50 50 VAL CG1 C 13 18.5 0.2 . 1 . . . . . . . . 5933 1 602 . 1 1 50 50 VAL CG2 C 13 22.8 0.2 . 1 . . . . . . . . 5933 1 603 . 1 1 50 50 VAL HG11 H 1 0.21 0.02 . 1 . . . . . . . . 5933 1 604 . 1 1 50 50 VAL HG12 H 1 0.21 0.02 . 1 . . . . . . . . 5933 1 605 . 1 1 50 50 VAL HG13 H 1 0.21 0.02 . 1 . . . . . . . . 5933 1 606 . 1 1 50 50 VAL HG21 H 1 0.53 0.02 . 1 . . . . . . . . 5933 1 607 . 1 1 50 50 VAL HG22 H 1 0.53 0.02 . 1 . . . . . . . . 5933 1 608 . 1 1 50 50 VAL HG23 H 1 0.53 0.02 . 1 . . . . . . . . 5933 1 609 . 1 1 50 50 VAL C C 13 174.7 0.2 . 1 . . . . . . . . 5933 1 610 . 1 1 51 51 ASN N N 15 124.99 0.1 . 1 . . . . . . . . 5933 1 611 . 1 1 51 51 ASN H H 1 8.17 0.02 . 1 . . . . . . . . 5933 1 612 . 1 1 51 51 ASN CA C 13 54.58 0.2 . 1 . . . . . . . . 5933 1 613 . 1 1 51 51 ASN HA H 1 4.46 0.02 . 1 . . . . . . . . 5933 1 614 . 1 1 51 51 ASN CB C 13 39.3 0.2 . 1 . . . . . . . . 5933 1 615 . 1 1 51 51 ASN HB2 H 1 2.82 0.02 . 1 . . . . . . . . 5933 1 616 . 1 1 51 51 ASN HB3 H 1 2.91 0.02 . 1 . . . . . . . . 5933 1 617 . 1 1 51 51 ASN ND2 N 15 112.55 0.1 . 1 . . . . . . . . 5933 1 618 . 1 1 51 51 ASN HD22 H 1 7.09 0.02 . 1 . . . . . . . . 5933 1 619 . 1 1 51 51 ASN HD21 H 1 7.70 0.02 . 1 . . . . . . . . 5933 1 620 . 1 1 51 51 ASN C C 13 175.4 0.2 . 1 . . . . . . . . 5933 1 621 . 1 1 52 52 LYS N N 15 119.9 0.1 . 1 . . . . . . . . 5933 1 622 . 1 1 52 52 LYS H H 1 7.70 0.02 . 1 . . . . . . . . 5933 1 623 . 1 1 52 52 LYS CA C 13 55.7 0.2 . 1 . . . . . . . . 5933 1 624 . 1 1 52 52 LYS HA H 1 4.62 0.02 . 1 . . . . . . . . 5933 1 625 . 1 1 52 52 LYS CB C 13 33.36 0.2 . 1 . . . . . . . . 5933 1 626 . 1 1 52 52 LYS HB2 H 1 1.82 0.02 . 1 . . . . . . . . 5933 1 627 . 1 1 52 52 LYS HB3 H 1 1.95 0.02 . 1 . . . . . . . . 5933 1 628 . 1 1 52 52 LYS CG C 13 25.2 0.2 . 1 . . . . . . . . 5933 1 629 . 1 1 52 52 LYS HG2 H 1 1.48 0.02 . 1 . . . . . . . . 5933 1 630 . 1 1 52 52 LYS HG3 H 1 1.52 0.02 . 1 . . . . . . . . 5933 1 631 . 1 1 52 52 LYS CD C 13 29.2 0.2 . 1 . . . . . . . . 5933 1 632 . 1 1 52 52 LYS HD2 H 1 1.74 0.02 . 1 . . . . . . . . 5933 1 633 . 1 1 52 52 LYS HD3 H 1 1.81 0.02 . 1 . . . . . . . . 5933 1 634 . 1 1 52 52 LYS CE C 13 39.82 0.2 . 1 . . . . . . . . 5933 1 635 . 1 1 52 52 LYS HE2 H 1 3.04 0.02 . 1 . . . . . . . . 5933 1 636 . 1 1 52 52 LYS HE3 H 1 3.10 0.02 . 1 . . . . . . . . 5933 1 637 . 1 1 52 52 LYS C C 13 177.8 0.2 . 1 . . . . . . . . 5933 1 638 . 1 1 53 53 ILE N N 15 129.4 0.1 . 1 . . . . . . . . 5933 1 639 . 1 1 53 53 ILE H H 1 9.15 0.02 . 1 . . . . . . . . 5933 1 640 . 1 1 53 53 ILE CA C 13 65.33 0.2 . 1 . . . . . . . . 5933 1 641 . 1 1 53 53 ILE HA H 1 3.65 0.02 . 1 . . . . . . . . 5933 1 642 . 1 1 53 53 ILE CB C 13 38.07 0.2 . 1 . . . . . . . . 5933 1 643 . 1 1 53 53 ILE HB H 1 1.9 0.02 . 1 . . . . . . . . 5933 1 644 . 1 1 53 53 ILE CG1 C 13 29.69 0.2 . 1 . . . . . . . . 5933 1 645 . 1 1 53 53 ILE CG2 C 13 17.01 0.2 . 1 . . . . . . . . 5933 1 646 . 1 1 53 53 ILE HG12 H 1 1.28 0.02 . 1 . . . . . . . . 5933 1 647 . 1 1 53 53 ILE HG13 H 1 1.63 0.02 . 1 . . . . . . . . 5933 1 648 . 1 1 53 53 ILE HG21 H 1 1.04 0.02 . 1 . . . . . . . . 5933 1 649 . 1 1 53 53 ILE HG22 H 1 1.04 0.02 . 1 . . . . . . . . 5933 1 650 . 1 1 53 53 ILE HG23 H 1 1.04 0.02 . 1 . . . . . . . . 5933 1 651 . 1 1 53 53 ILE CD1 C 13 13.38 0.2 . 1 . . . . . . . . 5933 1 652 . 1 1 53 53 ILE HD11 H 1 1.00 0.02 . 1 . . . . . . . . 5933 1 653 . 1 1 53 53 ILE HD12 H 1 1.00 0.02 . 1 . . . . . . . . 5933 1 654 . 1 1 53 53 ILE HD13 H 1 1.00 0.02 . 1 . . . . . . . . 5933 1 655 . 1 1 53 53 ILE C C 13 177.2 0.2 . 1 . . . . . . . . 5933 1 656 . 1 1 54 54 GLY N N 15 107.24 0.1 . 1 . . . . . . . . 5933 1 657 . 1 1 54 54 GLY H H 1 8.98 0.02 . 1 . . . . . . . . 5933 1 658 . 1 1 54 54 GLY CA C 13 47.2 0.2 . 1 . . . . . . . . 5933 1 659 . 1 1 54 54 GLY HA2 H 1 4.01 0.02 . 1 . . . . . . . . 5933 1 660 . 1 1 54 54 GLY HA3 H 1 3.85 0.02 . 1 . . . . . . . . 5933 1 661 . 1 1 54 54 GLY C C 13 177.1 0.2 . 1 . . . . . . . . 5933 1 662 . 1 1 55 55 ASP N N 15 119.66 0.1 . 1 . . . . . . . . 5933 1 663 . 1 1 55 55 ASP H H 1 8.65 0.02 . 1 . . . . . . . . 5933 1 664 . 1 1 55 55 ASP CA C 13 56.9 0.2 . 1 . . . . . . . . 5933 1 665 . 1 1 55 55 ASP HA H 1 4.6 0.02 . 1 . . . . . . . . 5933 1 666 . 1 1 55 55 ASP CB C 13 40.3 0.2 . 1 . . . . . . . . 5933 1 667 . 1 1 55 55 ASP HB2 H 1 2.75 0.02 . 2 . . . . . . . . 5933 1 668 . 1 1 55 55 ASP C C 13 177.7 0.2 . 1 . . . . . . . . 5933 1 669 . 1 1 56 56 ARG N N 15 118.84 0.1 . 1 . . . . . . . . 5933 1 670 . 1 1 56 56 ARG H H 1 7.8 0.02 . 1 . . . . . . . . 5933 1 671 . 1 1 56 56 ARG CA C 13 61.76 0.2 . 1 . . . . . . . . 5933 1 672 . 1 1 56 56 ARG HA H 1 3.84 0.02 . 1 . . . . . . . . 5933 1 673 . 1 1 56 56 ARG CB C 13 31.00 0.2 . 1 . . . . . . . . 5933 1 674 . 1 1 56 56 ARG HB2 H 1 1.63 0.02 . 1 . . . . . . . . 5933 1 675 . 1 1 56 56 ARG HB3 H 1 2.24 0.02 . 1 . . . . . . . . 5933 1 676 . 1 1 56 56 ARG CG C 13 30.0 0.2 . 1 . . . . . . . . 5933 1 677 . 1 1 56 56 ARG HG2 H 1 1.25 0.02 . 1 . . . . . . . . 5933 1 678 . 1 1 56 56 ARG HG3 H 1 1.88 0.02 . 1 . . . . . . . . 5933 1 679 . 1 1 56 56 ARG CD C 13 45.22 0.2 . 1 . . . . . . . . 5933 1 680 . 1 1 56 56 ARG HD2 H 1 3.09 0.02 . 1 . . . . . . . . 5933 1 681 . 1 1 56 56 ARG HD3 H 1 3.57 0.02 . 1 . . . . . . . . 5933 1 682 . 1 1 56 56 ARG C C 13 178.0 0.2 . 1 . . . . . . . . 5933 1 683 . 1 1 57 57 LEU N N 15 116.1 0.1 . 1 . . . . . . . . 5933 1 684 . 1 1 57 57 LEU H H 1 8.40 0.02 . 1 . . . . . . . . 5933 1 685 . 1 1 57 57 LEU CA C 13 58.34 0.2 . 1 . . . . . . . . 5933 1 686 . 1 1 57 57 LEU HA H 1 4.07 0.02 . 1 . . . . . . . . 5933 1 687 . 1 1 57 57 LEU CB C 13 41.5 0.2 . 1 . . . . . . . . 5933 1 688 . 1 1 57 57 LEU HB2 H 1 1.55 0.02 . 1 . . . . . . . . 5933 1 689 . 1 1 57 57 LEU HB3 H 1 1.84 0.02 . 1 . . . . . . . . 5933 1 690 . 1 1 57 57 LEU C C 13 179.7 0.2 . 1 . . . . . . . . 5933 1 691 . 1 1 58 58 LYS N N 15 118.0 0.1 . 1 . . . . . . . . 5933 1 692 . 1 1 58 58 LYS H H 1 7.57 0.02 . 1 . . . . . . . . 5933 1 693 . 1 1 58 58 LYS CA C 13 60.39 0.2 . 1 . . . . . . . . 5933 1 694 . 1 1 58 58 LYS HA H 1 4.03 0.02 . 1 . . . . . . . . 5933 1 695 . 1 1 58 58 LYS CB C 13 33.48 0.2 . 1 . . . . . . . . 5933 1 696 . 1 1 58 58 LYS HB2 H 1 1.79 0.02 . 1 . . . . . . . . 5933 1 697 . 1 1 58 58 LYS HB3 H 1 2.02 0.02 . 1 . . . . . . . . 5933 1 698 . 1 1 58 58 LYS CG C 13 25.63 0.2 . 1 . . . . . . . . 5933 1 699 . 1 1 58 58 LYS HG2 H 1 1.55 0.02 . 1 . . . . . . . . 5933 1 700 . 1 1 58 58 LYS HG3 H 1 1.83 0.02 . 1 . . . . . . . . 5933 1 701 . 1 1 58 58 LYS CD C 13 30.26 0.2 . 1 . . . . . . . . 5933 1 702 . 1 1 58 58 LYS HD2 H 1 1.77 0.02 . 1 . . . . . . . . 5933 1 703 . 1 1 58 58 LYS HD3 H 1 1.87 0.02 . 1 . . . . . . . . 5933 1 704 . 1 1 58 58 LYS CE C 13 39.81 0.2 . 1 . . . . . . . . 5933 1 705 . 1 1 58 58 LYS HE2 H 1 2.76 0.02 . 1 . . . . . . . . 5933 1 706 . 1 1 58 58 LYS HE3 H 1 2.81 0.02 . 1 . . . . . . . . 5933 1 707 . 1 1 58 58 LYS C C 13 179.5 0.2 . 1 . . . . . . . . 5933 1 708 . 1 1 59 59 ILE N N 15 118.7 0.1 . 1 . . . . . . . . 5933 1 709 . 1 1 59 59 ILE H H 1 8.16 0.02 . 1 . . . . . . . . 5933 1 710 . 1 1 59 59 ILE CA C 13 65.8 0.2 . 1 . . . . . . . . 5933 1 711 . 1 1 59 59 ILE HA H 1 3.58 0.02 . 1 . . . . . . . . 5933 1 712 . 1 1 59 59 ILE CB C 13 38.54 0.2 . 1 . . . . . . . . 5933 1 713 . 1 1 59 59 ILE HB H 1 1.90 0.02 . 1 . . . . . . . . 5933 1 714 . 1 1 59 59 ILE CG1 C 13 29.55 0.2 . 1 . . . . . . . . 5933 1 715 . 1 1 59 59 ILE CG2 C 13 17.00 0.2 . 1 . . . . . . . . 5933 1 716 . 1 1 59 59 ILE HG12 H 1 1.19 0.02 . 1 . . . . . . . . 5933 1 717 . 1 1 59 59 ILE HG13 H 1 1.81 0.02 . 1 . . . . . . . . 5933 1 718 . 1 1 59 59 ILE HG21 H 1 0.93 0.02 . 1 . . . . . . . . 5933 1 719 . 1 1 59 59 ILE HG22 H 1 0.93 0.02 . 1 . . . . . . . . 5933 1 720 . 1 1 59 59 ILE HG23 H 1 0.93 0.02 . 1 . . . . . . . . 5933 1 721 . 1 1 59 59 ILE CD1 C 13 13.68 0.2 . 1 . . . . . . . . 5933 1 722 . 1 1 59 59 ILE HD11 H 1 0.95 0.02 . 1 . . . . . . . . 5933 1 723 . 1 1 59 59 ILE HD12 H 1 0.95 0.02 . 1 . . . . . . . . 5933 1 724 . 1 1 59 59 ILE HD13 H 1 0.95 0.02 . 1 . . . . . . . . 5933 1 725 . 1 1 59 59 ILE C C 13 177.8 0.2 . 1 . . . . . . . . 5933 1 726 . 1 1 60 60 LEU N N 15 118.43 0.1 . 1 . . . . . . . . 5933 1 727 . 1 1 60 60 LEU H H 1 8.60 0.02 . 1 . . . . . . . . 5933 1 728 . 1 1 60 60 LEU CA C 13 57.45 0.2 . 1 . . . . . . . . 5933 1 729 . 1 1 60 60 LEU HA H 1 4.38 0.02 . 1 . . . . . . . . 5933 1 730 . 1 1 60 60 LEU CB C 13 41.12 0.2 . 1 . . . . . . . . 5933 1 731 . 1 1 60 60 LEU HB2 H 1 1.51 0.02 . 1 . . . . . . . . 5933 1 732 . 1 1 60 60 LEU HB3 H 1 1.87 0.02 . 1 . . . . . . . . 5933 1 733 . 1 1 60 60 LEU CG C 13 26.73 0.2 . 1 . . . . . . . . 5933 1 734 . 1 1 60 60 LEU HG H 1 1.88 0.02 . 2 . . . . . . . . 5933 1 735 . 1 1 60 60 LEU CD1 C 13 23.01 0.2 . 1 . . . . . . . . 5933 1 736 . 1 1 60 60 LEU CD2 C 13 25.4 0.2 . 1 . . . . . . . . 5933 1 737 . 1 1 60 60 LEU HD11 H 1 0.91 0.02 . 1 . . . . . . . . 5933 1 738 . 1 1 60 60 LEU HD12 H 1 0.91 0.02 . 1 . . . . . . . . 5933 1 739 . 1 1 60 60 LEU HD13 H 1 0.91 0.02 . 1 . . . . . . . . 5933 1 740 . 1 1 60 60 LEU HD21 H 1 0.93 0.02 . 1 . . . . . . . . 5933 1 741 . 1 1 60 60 LEU HD22 H 1 0.93 0.02 . 1 . . . . . . . . 5933 1 742 . 1 1 60 60 LEU HD23 H 1 0.93 0.02 . 1 . . . . . . . . 5933 1 743 . 1 1 60 60 LEU C C 13 180.2 0.2 . 1 . . . . . . . . 5933 1 744 . 1 1 61 61 ARG N N 15 118.84 0.1 . 1 . . . . . . . . 5933 1 745 . 1 1 61 61 ARG H H 1 8.39 0.02 . 1 . . . . . . . . 5933 1 746 . 1 1 61 61 ARG CA C 13 59.57 0.2 . 1 . . . . . . . . 5933 1 747 . 1 1 61 61 ARG HA H 1 4.09 0.02 . 1 . . . . . . . . 5933 1 748 . 1 1 61 61 ARG CB C 13 30.25 0.2 . 1 . . . . . . . . 5933 1 749 . 1 1 61 61 ARG HB2 H 1 1.94 0.02 . 1 . . . . . . . . 5933 1 750 . 1 1 61 61 ARG HB3 H 1 2.01 0.02 . 1 . . . . . . . . 5933 1 751 . 1 1 61 61 ARG CG C 13 27.84 0.2 . 1 . . . . . . . . 5933 1 752 . 1 1 61 61 ARG HG2 H 1 1.68 0.02 . 1 . . . . . . . . 5933 1 753 . 1 1 61 61 ARG HG3 H 1 1.85 0.02 . 1 . . . . . . . . 5933 1 754 . 1 1 61 61 ARG CD C 13 43.8 0.2 . 1 . . . . . . . . 5933 1 755 . 1 1 61 61 ARG HD2 H 1 3.24 0.02 . 1 . . . . . . . . 5933 1 756 . 1 1 61 61 ARG HD3 H 1 3.57 0.02 . 1 . . . . . . . . 5933 1 757 . 1 1 61 61 ARG C C 13 179.2 0.2 . 1 . . . . . . . . 5933 1 758 . 1 1 62 62 LYS N N 15 118.56 0.1 . 1 . . . . . . . . 5933 1 759 . 1 1 62 62 LYS H H 1 7.69 0.02 . 1 . . . . . . . . 5933 1 760 . 1 1 62 62 LYS CA C 13 57.69 0.2 . 1 . . . . . . . . 5933 1 761 . 1 1 62 62 LYS HA H 1 4.32 0.02 . 1 . . . . . . . . 5933 1 762 . 1 1 62 62 LYS CB C 13 32.13 0.2 . 1 . . . . . . . . 5933 1 763 . 1 1 62 62 LYS HB2 H 1 1.84 0.02 . 1 . . . . . . . . 5933 1 764 . 1 1 62 62 LYS HB3 H 1 2.03 0.02 . 1 . . . . . . . . 5933 1 765 . 1 1 62 62 LYS CG C 13 25.2 0.2 . 1 . . . . . . . . 5933 1 766 . 1 1 62 62 LYS HG2 H 1 1.34 0.02 . 1 . . . . . . . . 5933 1 767 . 1 1 62 62 LYS HG3 H 1 1.45 0.02 . 1 . . . . . . . . 5933 1 768 . 1 1 62 62 LYS CD C 13 28.40 0.2 . 1 . . . . . . . . 5933 1 769 . 1 1 62 62 LYS HD2 H 1 1.28 0.02 . 1 . . . . . . . . 5933 1 770 . 1 1 62 62 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 5933 1 771 . 1 1 62 62 LYS CE C 13 40.00 0.2 . 1 . . . . . . . . 5933 1 772 . 1 1 62 62 LYS HE2 H 1 2.85 0.02 . 1 . . . . . . . . 5933 1 773 . 1 1 62 62 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 5933 1 774 . 1 1 62 62 LYS C C 13 179.7 0.2 . 1 . . . . . . . . 5933 1 775 . 1 1 63 63 SER N N 15 117.47 0.1 . 1 . . . . . . . . 5933 1 776 . 1 1 63 63 SER H H 1 9.26 0.02 . 1 . . . . . . . . 5933 1 777 . 1 1 63 63 SER CA C 13 62.80 0.2 . 1 . . . . . . . . 5933 1 778 . 1 1 63 63 SER HA H 1 4.30 0.02 . 1 . . . . . . . . 5933 1 779 . 1 1 63 63 SER CB C 13 62.45 0.2 . 1 . . . . . . . . 5933 1 780 . 1 1 63 63 SER HB2 H 1 4.03 0.02 . 1 . . . . . . . . 5933 1 781 . 1 1 63 63 SER HB3 H 1 4.07 0.02 . 1 . . . . . . . . 5933 1 782 . 1 1 63 63 SER C C 13 176.2 0.2 . 1 . . . . . . . . 5933 1 783 . 1 1 64 64 LYS N N 15 118.84 0.1 . 1 . . . . . . . . 5933 1 784 . 1 1 64 64 LYS H H 1 7.8 0.02 . 1 . . . . . . . . 5933 1 785 . 1 1 64 64 LYS CA C 13 57.9 0.2 . 1 . . . . . . . . 5933 1 786 . 1 1 64 64 LYS HA H 1 4.22 0.02 . 1 . . . . . . . . 5933 1 787 . 1 1 64 64 LYS CB C 13 32.2 0.2 . 1 . . . . . . . . 5933 1 788 . 1 1 64 64 LYS HB2 H 1 2.01 0.02 . 1 . . . . . . . . 5933 1 789 . 1 1 64 64 LYS HB3 H 1 2.06 0.02 . 1 . . . . . . . . 5933 1 790 . 1 1 64 64 LYS CG C 13 25.2 0.2 . 1 . . . . . . . . 5933 1 791 . 1 1 64 64 LYS HG2 H 1 1.63 0.02 . 1 . . . . . . . . 5933 1 792 . 1 1 64 64 LYS HG3 H 1 1.66 0.02 . 1 . . . . . . . . 5933 1 793 . 1 1 64 64 LYS CD C 13 28.9 0.2 . 1 . . . . . . . . 5933 1 794 . 1 1 64 64 LYS HD2 H 1 1.74 0.02 . 1 . . . . . . . . 5933 1 795 . 1 1 64 64 LYS HD3 H 1 1.78 0.02 . 1 . . . . . . . . 5933 1 796 . 1 1 64 64 LYS CE C 13 39.98 0.2 . 1 . . . . . . . . 5933 1 797 . 1 1 64 64 LYS HE2 H 1 3.06 0.02 . 1 . . . . . . . . 5933 1 798 . 1 1 64 64 LYS HE3 H 1 3.11 0.02 . 1 . . . . . . . . 5933 1 799 . 1 1 64 64 LYS C C 13 178.56 0.2 . 1 . . . . . . . . 5933 1 800 . 1 1 65 65 SER N N 15 113.9 0.1 . 1 . . . . . . . . 5933 1 801 . 1 1 65 65 SER H H 1 7.64 0.02 . 1 . . . . . . . . 5933 1 802 . 1 1 65 65 SER CA C 13 60.22 0.2 . 1 . . . . . . . . 5933 1 803 . 1 1 65 65 SER HA H 1 4.37 0.02 . 1 . . . . . . . . 5933 1 804 . 1 1 65 65 SER CB C 13 63.74 0.2 . 1 . . . . . . . . 5933 1 805 . 1 1 65 65 SER HB2 H 1 3.97 0.02 . 2 . . . . . . . . 5933 1 806 . 1 1 65 65 SER C C 13 174.8 0.2 . 1 . . . . . . . . 5933 1 807 . 1 1 66 66 PHE N N 15 120.0 0.1 . 1 . . . . . . . . 5933 1 808 . 1 1 66 66 PHE H H 1 7.59 0.02 . 1 . . . . . . . . 5933 1 809 . 1 1 66 66 PHE CA C 13 58.2 0.2 . 1 . . . . . . . . 5933 1 810 . 1 1 66 66 PHE HA H 1 4.7 0.02 . 1 . . . . . . . . 5933 1 811 . 1 1 66 66 PHE CB C 13 39.18 0.2 . 1 . . . . . . . . 5933 1 812 . 1 1 66 66 PHE HB2 H 1 3.10 0.02 . 1 . . . . . . . . 5933 1 813 . 1 1 66 66 PHE HB3 H 1 3.35 0.02 . 1 . . . . . . . . 5933 1 814 . 1 1 66 66 PHE CD1 C 13 129.75 0.2 . 3 . . . . . . . . 5933 1 815 . 1 1 66 66 PHE HD1 H 1 7.41 0.02 . 2 . . . . . . . . 5933 1 816 . 1 1 66 66 PHE CE1 C 13 129.27 0.2 . 3 . . . . . . . . 5933 1 817 . 1 1 66 66 PHE HE1 H 1 7.34 0.02 . 2 . . . . . . . . 5933 1 818 . 1 1 66 66 PHE C C 13 175.8 0.2 . 1 . . . . . . . . 5933 1 819 . 1 1 67 67 GLN N N 15 120.61 0.1 . 1 . . . . . . . . 5933 1 820 . 1 1 67 67 GLN H H 1 8.02 0.02 . 1 . . . . . . . . 5933 1 821 . 1 1 67 67 GLN CA C 13 56.2 0.2 . 1 . . . . . . . . 5933 1 822 . 1 1 67 67 GLN HA H 1 4.30 0.02 . 1 . . . . . . . . 5933 1 823 . 1 1 67 67 GLN CB C 13 29.2 0.2 . 1 . . . . . . . . 5933 1 824 . 1 1 67 67 GLN HB2 H 1 2.12 0.02 . 1 . . . . . . . . 5933 1 825 . 1 1 67 67 GLN HB3 H 1 2.21 0.02 . 1 . . . . . . . . 5933 1 826 . 1 1 67 67 GLN CG C 13 33.9 0.2 . 1 . . . . . . . . 5933 1 827 . 1 1 67 67 GLN HG2 H 1 2.29 0.02 . 1 . . . . . . . . 5933 1 828 . 1 1 67 67 GLN HG3 H 1 2.45 0.02 . 1 . . . . . . . . 5933 1 829 . 1 1 67 67 GLN NE2 N 15 112.06 0.1 . 1 . . . . . . . . 5933 1 830 . 1 1 67 67 GLN HE21 H 1 7.62 0.02 . 1 . . . . . . . . 5933 1 831 . 1 1 67 67 GLN HE22 H 1 7.03 0.02 . 1 . . . . . . . . 5933 1 832 . 1 1 67 67 GLN C C 13 174.8 0.2 . 1 . . . . . . . . 5933 1 833 . 1 1 68 68 ARG N N 15 127.0 0.1 . 1 . . . . . . . . 5933 1 834 . 1 1 68 68 ARG H H 1 7.99 0.02 . 1 . . . . . . . . 5933 1 835 . 1 1 68 68 ARG CA C 13 57.6 0.2 . 1 . . . . . . . . 5933 1 836 . 1 1 68 68 ARG HA H 1 4.17 0.02 . 1 . . . . . . . . 5933 1 837 . 1 1 68 68 ARG CB C 13 31.5 0.2 . 1 . . . . . . . . 5933 1 838 . 1 1 68 68 ARG HB2 H 1 1.81 0.02 . 1 . . . . . . . . 5933 1 839 . 1 1 68 68 ARG HB3 H 1 1.94 0.02 . 1 . . . . . . . . 5933 1 840 . 1 1 68 68 ARG CG C 13 27.35 0.2 . 1 . . . . . . . . 5933 1 841 . 1 1 68 68 ARG HG2 H 1 1.64 0.02 . 1 . . . . . . . . 5933 1 842 . 1 1 68 68 ARG HG3 H 1 1.69 0.02 . 1 . . . . . . . . 5933 1 843 . 1 1 68 68 ARG CD C 13 43.65 0.2 . 1 . . . . . . . . 5933 1 844 . 1 1 68 68 ARG HD2 H 1 3.22 0.02 . 1 . . . . . . . . 5933 1 845 . 1 1 68 68 ARG HD3 H 1 3.28 0.02 . 1 . . . . . . . . 5933 1 stop_ save_