data_5481 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5481 _Entry.Title ; Backbone and side chain 1H, 13C, and 15N chemical shift assignments for S. cerevisae Hub1 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-07-25 _Entry.Accession_date 2002-07-26 _Entry.Last_release_date 2003-07-30 _Entry.Original_release_date 2003-07-30 _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 Theresa Ramelot . A. . 5481 2 Michael Kennedy . A. . 5481 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5481 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 537 5481 '13C chemical shifts' 321 5481 '15N chemical shifts' 75 5481 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 . . 2003-07-30 2002-07-25 original author . 5481 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5481 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the yeast ubiquitin-like modifier protein Hub1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Funct. Genomics' _Citation.Journal_name_full . _Citation.Journal_volume 4 _Citation.Journal_issue 1 _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 25 _Citation.Page_last 30 _Citation.Year 2003 _Citation.Details ; Ubiquitin-like modifier protein involved in polarized morphogenesis of S. cerevisae. The paper can be accessed at: http://www.kluweronline.com/issn/1345-711X ; 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 Theresa Ramelot . A. . 5481 1 2 R. Cort . J. . 5481 1 3 A. Yee . A. . 5481 1 4 A. Semesi . . . 5481 1 5 A. Edwards . M. . 5481 1 6 C. Arrowsmith . H. . 5481 1 7 Michael Kennedy . A. . 5481 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Hub1 5481 1 NMR 5481 1 'ubiquitin fold' 5481 1 YNR032c-a 5481 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5481 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Brunger AT. X-PLOR Version 3.1: a system for X-ray crystallography and NMR. New Haven, CY:Yale University Press; 1992.382 p. ; _Citation.Title . _Citation.Status published _Citation.Type book _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Hub1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Hub1 _Assembly.Entry_ID 5481 _Assembly.ID 1 _Assembly.Name Hub1 _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 . _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 monomer 5481 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 hub1 1 $hub1 . . . native . . . . . 5481 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1M94 . . . . . . 5481 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Hub1 system 5481 1 Hub1 abbreviation 5481 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'ubiquitin-like conjugation' 5481 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hub1 _Entity.Sf_category entity _Entity.Sf_framecode hub1 _Entity.Entry_ID 5481 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Hub1 _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 ; MGSSHHHHHHSSGLVPRGSH MIEVVVNDRLGKKVRVKCLA EDSVGDFKKVLSLQIGTQPN KIVLQKGGSVLKDHISLEDY EVHDQTNLELYYL ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8272 _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 1M94 . "Solution Structure Of The Yeast Ubiquitin-Like Modifier Protein Hub1" . . . . . 100.00 93 100.00 100.00 8.64e-59 . . . . 5481 1 2 no PDB 3PLU . "Structure Of Hub-1 Protein In Complex With Snu66 Peptide (Hindi)" . . . . . 100.00 93 98.92 98.92 6.71e-58 . . . . 5481 1 3 no PDB 3PLV . "Structure Of Hub-1 Protein In Complex With Snu66 Peptide (hindii)" . . . . . 100.00 93 98.92 98.92 6.71e-58 . . . . 5481 1 4 no DBJ GAA26125 . "K7_Hub1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 78.49 73 98.63 98.63 2.45e-42 . . . . 5481 1 5 no EMBL CAY82226 . "Hub1p [Saccharomyces cerevisiae EC1118]" . . . . . 78.49 73 100.00 100.00 2.95e-43 . . . . 5481 1 6 no GB AAS56885 . "YNR032C-A [Saccharomyces cerevisiae]" . . . . . 78.49 73 98.63 100.00 1.07e-42 . . . . 5481 1 7 no GB AHY77119 . "Hub1p [Saccharomyces cerevisiae YJM993]" . . . . . 78.49 73 100.00 100.00 2.95e-43 . . . . 5481 1 8 no GB EDN62838 . "conserved protein [Saccharomyces cerevisiae YJM789]" . . . . . 78.49 73 100.00 100.00 2.95e-43 . . . . 5481 1 9 no GB EDV12235 . "hypothetical protein SCRG_03110 [Saccharomyces cerevisiae RM11-1a]" . . . . . 78.49 73 100.00 100.00 2.95e-43 . . . . 5481 1 10 no GB EEU08318 . "Hub1p [Saccharomyces cerevisiae JAY291]" . . . . . 78.49 73 100.00 100.00 2.95e-43 . . . . 5481 1 11 no PIR S78735 . "protein YNR032c-a - yeast (Saccharomyces cerevisiae)" . . . . . 78.49 73 100.00 100.00 2.95e-43 . . . . 5481 1 12 no REF NP_014430 . "Hub1p [Saccharomyces cerevisiae S288c]" . . . . . 78.49 73 100.00 100.00 2.95e-43 . . . . 5481 1 13 no SP Q6Q546 . "RecName: Full=Ubiquitin-like modifier HUB1 [Saccharomyces cerevisiae S288c]" . . . . . 78.49 73 100.00 100.00 2.95e-43 . . . . 5481 1 14 no TPG DAA10573 . "TPA: Hub1p [Saccharomyces cerevisiae S288c]" . . . . . 78.49 73 100.00 100.00 2.95e-43 . . . . 5481 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Hub1 common 5481 1 Hub1 abbreviation 5481 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 -20 MET . 5481 1 2 -19 GLY . 5481 1 3 -18 SER . 5481 1 4 -17 SER . 5481 1 5 -16 HIS . 5481 1 6 -15 HIS . 5481 1 7 -14 HIS . 5481 1 8 -13 HIS . 5481 1 9 -12 HIS . 5481 1 10 -11 HIS . 5481 1 11 -10 SER . 5481 1 12 -9 SER . 5481 1 13 -8 GLY . 5481 1 14 -7 LEU . 5481 1 15 -6 VAL . 5481 1 16 -5 PRO . 5481 1 17 -4 ARG . 5481 1 18 -3 GLY . 5481 1 19 -2 SER . 5481 1 20 -1 HIS . 5481 1 21 1 MET . 5481 1 22 2 ILE . 5481 1 23 3 GLU . 5481 1 24 4 VAL . 5481 1 25 5 VAL . 5481 1 26 6 VAL . 5481 1 27 7 ASN . 5481 1 28 8 ASP . 5481 1 29 9 ARG . 5481 1 30 10 LEU . 5481 1 31 11 GLY . 5481 1 32 12 LYS . 5481 1 33 13 LYS . 5481 1 34 14 VAL . 5481 1 35 15 ARG . 5481 1 36 16 VAL . 5481 1 37 17 LYS . 5481 1 38 18 CYS . 5481 1 39 19 LEU . 5481 1 40 20 ALA . 5481 1 41 21 GLU . 5481 1 42 22 ASP . 5481 1 43 23 SER . 5481 1 44 24 VAL . 5481 1 45 25 GLY . 5481 1 46 26 ASP . 5481 1 47 27 PHE . 5481 1 48 28 LYS . 5481 1 49 29 LYS . 5481 1 50 30 VAL . 5481 1 51 31 LEU . 5481 1 52 32 SER . 5481 1 53 33 LEU . 5481 1 54 34 GLN . 5481 1 55 35 ILE . 5481 1 56 36 GLY . 5481 1 57 37 THR . 5481 1 58 38 GLN . 5481 1 59 39 PRO . 5481 1 60 40 ASN . 5481 1 61 41 LYS . 5481 1 62 42 ILE . 5481 1 63 43 VAL . 5481 1 64 44 LEU . 5481 1 65 45 GLN . 5481 1 66 46 LYS . 5481 1 67 47 GLY . 5481 1 68 48 GLY . 5481 1 69 49 SER . 5481 1 70 50 VAL . 5481 1 71 51 LEU . 5481 1 72 52 LYS . 5481 1 73 53 ASP . 5481 1 74 54 HIS . 5481 1 75 55 ILE . 5481 1 76 56 SER . 5481 1 77 57 LEU . 5481 1 78 58 GLU . 5481 1 79 59 ASP . 5481 1 80 60 TYR . 5481 1 81 61 GLU . 5481 1 82 62 VAL . 5481 1 83 63 HIS . 5481 1 84 64 ASP . 5481 1 85 65 GLN . 5481 1 86 66 THR . 5481 1 87 67 ASN . 5481 1 88 68 LEU . 5481 1 89 69 GLU . 5481 1 90 70 LEU . 5481 1 91 71 TYR . 5481 1 92 72 TYR . 5481 1 93 73 LEU . 5481 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5481 1 . GLY 2 2 5481 1 . SER 3 3 5481 1 . SER 4 4 5481 1 . HIS 5 5 5481 1 . HIS 6 6 5481 1 . HIS 7 7 5481 1 . HIS 8 8 5481 1 . HIS 9 9 5481 1 . HIS 10 10 5481 1 . SER 11 11 5481 1 . SER 12 12 5481 1 . GLY 13 13 5481 1 . LEU 14 14 5481 1 . VAL 15 15 5481 1 . PRO 16 16 5481 1 . ARG 17 17 5481 1 . GLY 18 18 5481 1 . SER 19 19 5481 1 . HIS 20 20 5481 1 . MET 21 21 5481 1 . ILE 22 22 5481 1 . GLU 23 23 5481 1 . VAL 24 24 5481 1 . VAL 25 25 5481 1 . VAL 26 26 5481 1 . ASN 27 27 5481 1 . ASP 28 28 5481 1 . ARG 29 29 5481 1 . LEU 30 30 5481 1 . GLY 31 31 5481 1 . LYS 32 32 5481 1 . LYS 33 33 5481 1 . VAL 34 34 5481 1 . ARG 35 35 5481 1 . VAL 36 36 5481 1 . LYS 37 37 5481 1 . CYS 38 38 5481 1 . LEU 39 39 5481 1 . ALA 40 40 5481 1 . GLU 41 41 5481 1 . ASP 42 42 5481 1 . SER 43 43 5481 1 . VAL 44 44 5481 1 . GLY 45 45 5481 1 . ASP 46 46 5481 1 . PHE 47 47 5481 1 . LYS 48 48 5481 1 . LYS 49 49 5481 1 . VAL 50 50 5481 1 . LEU 51 51 5481 1 . SER 52 52 5481 1 . LEU 53 53 5481 1 . GLN 54 54 5481 1 . ILE 55 55 5481 1 . GLY 56 56 5481 1 . THR 57 57 5481 1 . GLN 58 58 5481 1 . PRO 59 59 5481 1 . ASN 60 60 5481 1 . LYS 61 61 5481 1 . ILE 62 62 5481 1 . VAL 63 63 5481 1 . LEU 64 64 5481 1 . GLN 65 65 5481 1 . LYS 66 66 5481 1 . GLY 67 67 5481 1 . GLY 68 68 5481 1 . SER 69 69 5481 1 . VAL 70 70 5481 1 . LEU 71 71 5481 1 . LYS 72 72 5481 1 . ASP 73 73 5481 1 . HIS 74 74 5481 1 . ILE 75 75 5481 1 . SER 76 76 5481 1 . LEU 77 77 5481 1 . GLU 78 78 5481 1 . ASP 79 79 5481 1 . TYR 80 80 5481 1 . GLU 81 81 5481 1 . VAL 82 82 5481 1 . HIS 83 83 5481 1 . ASP 84 84 5481 1 . GLN 85 85 5481 1 . THR 86 86 5481 1 . ASN 87 87 5481 1 . LEU 88 88 5481 1 . GLU 89 89 5481 1 . LEU 90 90 5481 1 . TYR 91 91 5481 1 . TYR 92 92 5481 1 . LEU 93 93 5481 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 5481 _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 $hub1 . 4932 organism . 'Saccharomyces cerevisiae' Yeast . . Eukaryota Fungi Saccharomyces cerevisiae S288C . . . . . . . . . . . . . pET15b . YNR032C-A . . . . 5481 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 5481 _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 $hub1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . plasmid . . pet15b . . . . . . 5481 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5481 _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 Hub1 '[U-15N; U-13C]' . . 1 $hub1 . . . 1 3 mM . . . . 5481 1 2 'acetate buffer' . . . . . . . 10 . . mM . . . . 5481 1 3 NaCl . . . . . . . 300 . . mM . . . . 5481 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5481 _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 Hub1 [U-15N] . . 1 $hub1 . . . 1 3 mM . . . . 5481 2 2 'acetate buffer' . . . . . . . 10 . . mM . . . . 5481 2 3 NaCl . . . . . . . 300 . . mM . . . . 5481 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5481 _Sample.ID 3 _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 Hub1 '[U-10% 13C; U-15N]' . . 1 $hub1 . . . 1 3 mM . . . . 5481 3 2 'acetate buffer' . . . . . . . 10 . . mM . . . . 5481 3 3 NaCl . . . . . . . 300 . . mM . . . . 5481 3 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5481 _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 5.0 0.1 n/a 5481 1 temperature 298 1 K 5481 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 5481 _Software.ID 1 _Software.Name Felix _Software.Version 98 _Software.Details MSI loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing data' 5481 1 stop_ save_ save_XPLOR _Software.Sf_category software _Software.Sf_framecode XPLOR _Software.Entry_ID 5481 _Software.ID 2 _Software.Name XPLOR _Software.Version 3.84 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculations' 5481 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 5481 2 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 5481 _Software.ID 3 _Software.Name Sparky _Software.Version 3.98 _Software.Details http://www.cgl.ucsf/home/sparky loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift and noesy assignments' 5481 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5481 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5481 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5481 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _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 5481 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian Inova . 600 . . . 5481 1 2 NMR_spectrometer_2 Varian Inova . 750 . . . 5481 1 3 NMR_spectrometer_3 Varian Inova . 800 . . . 5481 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 5481 _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 '4D CC-NOESY and 1H-15N HSQC spectra were recorded after exchange into D2O.' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5481 1 2 '1H-13C HSQC was recorded on U-15N, 10% 13C labeled sample' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5481 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5481 _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 . . . . . . . . . 5481 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5481 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5481 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_hub1_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode hub1_shifts _Assigned_chem_shift_list.Entry_ID 5481 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . 5481 1 . . 2 $sample_2 . 5481 1 . . 3 $sample_3 . 5481 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 21 21 MET H H 1 8.28 0.01 . 1 . . . . 1 . . . 5481 1 2 . 1 1 21 21 MET HA H 1 4.79 0.01 . 1 . . . . 1 . . . 5481 1 3 . 1 1 21 21 MET HB2 H 1 1.94 0.01 . 2 . . . . 1 . . . 5481 1 4 . 1 1 21 21 MET HB3 H 1 2.05 0.01 . 2 . . . . 1 . . . 5481 1 5 . 1 1 21 21 MET HG2 H 1 2.38 0.01 . 2 . . . . 1 . . . 5481 1 6 . 1 1 21 21 MET HG3 H 1 2.58 0.01 . 2 . . . . 1 . . . 5481 1 7 . 1 1 21 21 MET HE1 H 1 2.02 0.01 . 1 . . . . 1 . . . 5481 1 8 . 1 1 21 21 MET HE2 H 1 2.02 0.01 . 1 . . . . 1 . . . 5481 1 9 . 1 1 21 21 MET HE3 H 1 2.02 0.01 . 1 . . . . 1 . . . 5481 1 10 . 1 1 21 21 MET C C 13 176.1 0.1 . 1 . . . . 1 . . . 5481 1 11 . 1 1 21 21 MET CA C 13 56.0 0.1 . 1 . . . . 1 . . . 5481 1 12 . 1 1 21 21 MET CB C 13 33.8 0.1 . 1 . . . . 1 . . . 5481 1 13 . 1 1 21 21 MET CG C 13 32.4 0.1 . 1 . . . . 1 . . . 5481 1 14 . 1 1 21 21 MET CE C 13 17.1 0.1 . 1 . . . . 1 . . . 5481 1 15 . 1 1 21 21 MET N N 15 123.0 0.1 . 1 . . . . 1 . . . 5481 1 16 . 1 1 22 22 ILE H H 1 9.13 0.01 . 1 . . . . 2 . . . 5481 1 17 . 1 1 22 22 ILE HA H 1 4.63 0.01 . 1 . . . . 2 . . . 5481 1 18 . 1 1 22 22 ILE HB H 1 1.59 0.01 . 1 . . . . 2 . . . 5481 1 19 . 1 1 22 22 ILE HG12 H 1 0.83 0.01 . 2 . . . . 2 . . . 5481 1 20 . 1 1 22 22 ILE HG13 H 1 1.38 0.01 . 2 . . . . 2 . . . 5481 1 21 . 1 1 22 22 ILE HG21 H 1 0.96 0.01 . 1 . . . . 2 . . . 5481 1 22 . 1 1 22 22 ILE HG22 H 1 0.96 0.01 . 1 . . . . 2 . . . 5481 1 23 . 1 1 22 22 ILE HG23 H 1 0.96 0.01 . 1 . . . . 2 . . . 5481 1 24 . 1 1 22 22 ILE HD11 H 1 0.49 0.01 . 1 . . . . 2 . . . 5481 1 25 . 1 1 22 22 ILE HD12 H 1 0.49 0.01 . 1 . . . . 2 . . . 5481 1 26 . 1 1 22 22 ILE HD13 H 1 0.49 0.01 . 1 . . . . 2 . . . 5481 1 27 . 1 1 22 22 ILE C C 13 173.1 0.1 . 1 . . . . 2 . . . 5481 1 28 . 1 1 22 22 ILE CA C 13 60.3 0.1 . 1 . . . . 2 . . . 5481 1 29 . 1 1 22 22 ILE CB C 13 43.0 0.1 . 1 . . . . 2 . . . 5481 1 30 . 1 1 22 22 ILE CG1 C 13 26.5 0.1 . 1 . . . . 2 . . . 5481 1 31 . 1 1 22 22 ILE CG2 C 13 19.2 0.1 . 1 . . . . 2 . . . 5481 1 32 . 1 1 22 22 ILE CD1 C 13 14.2 0.1 . 1 . . . . 2 . . . 5481 1 33 . 1 1 22 22 ILE N N 15 119.3 0.1 . 1 . . . . 2 . . . 5481 1 34 . 1 1 23 23 GLU H H 1 9.92 0.01 . 1 . . . . 3 . . . 5481 1 35 . 1 1 23 23 GLU HA H 1 5.16 0.01 . 1 . . . . 3 . . . 5481 1 36 . 1 1 23 23 GLU HB2 H 1 1.77 0.01 . 2 . . . . 3 . . . 5481 1 37 . 1 1 23 23 GLU HB3 H 1 2.04 0.01 . 2 . . . . 3 . . . 5481 1 38 . 1 1 23 23 GLU HG2 H 1 1.84 0.01 . 2 . . . . 3 . . . 5481 1 39 . 1 1 23 23 GLU HG3 H 1 1.94 0.01 . 2 . . . . 3 . . . 5481 1 40 . 1 1 23 23 GLU C C 13 174.1 0.1 . 1 . . . . 3 . . . 5481 1 41 . 1 1 23 23 GLU CA C 13 55.0 0.1 . 1 . . . . 3 . . . 5481 1 42 . 1 1 23 23 GLU CB C 13 33.2 0.1 . 1 . . . . 3 . . . 5481 1 43 . 1 1 23 23 GLU CG C 13 28.7 0.1 . 1 . . . . 3 . . . 5481 1 44 . 1 1 23 23 GLU N N 15 121.8 0.1 . 1 . . . . 3 . . . 5481 1 45 . 1 1 24 24 VAL H H 1 8.95 0.01 . 1 . . . . 4 . . . 5481 1 46 . 1 1 24 24 VAL HA H 1 4.29 0.01 . 1 . . . . 4 . . . 5481 1 47 . 1 1 24 24 VAL HB H 1 1.97 0.01 . 1 . . . . 4 . . . 5481 1 48 . 1 1 24 24 VAL HG11 H 1 0.62 0.01 . 1 . . . . 4 . . . 5481 1 49 . 1 1 24 24 VAL HG12 H 1 0.62 0.01 . 1 . . . . 4 . . . 5481 1 50 . 1 1 24 24 VAL HG13 H 1 0.62 0.01 . 1 . . . . 4 . . . 5481 1 51 . 1 1 24 24 VAL HG21 H 1 0.62 0.01 . 1 . . . . 4 . . . 5481 1 52 . 1 1 24 24 VAL HG22 H 1 0.62 0.01 . 1 . . . . 4 . . . 5481 1 53 . 1 1 24 24 VAL HG23 H 1 0.62 0.01 . 1 . . . . 4 . . . 5481 1 54 . 1 1 24 24 VAL C C 13 174.6 0.1 . 1 . . . . 4 . . . 5481 1 55 . 1 1 24 24 VAL CA C 13 61.2 0.1 . 1 . . . . 4 . . . 5481 1 56 . 1 1 24 24 VAL CB C 13 34.7 0.1 . 1 . . . . 4 . . . 5481 1 57 . 1 1 24 24 VAL CG1 C 13 22.6 0.1 . 1 . . . . 4 . . . 5481 1 58 . 1 1 24 24 VAL CG2 C 13 22.6 0.1 . 1 . . . . 4 . . . 5481 1 59 . 1 1 24 24 VAL N N 15 128.0 0.1 . 1 . . . . 4 . . . 5481 1 60 . 1 1 25 25 VAL H H 1 8.37 0.01 . 1 . . . . 5 . . . 5481 1 61 . 1 1 25 25 VAL HA H 1 4.43 0.01 . 1 . . . . 5 . . . 5481 1 62 . 1 1 25 25 VAL HB H 1 2.02 0.01 . 1 . . . . 5 . . . 5481 1 63 . 1 1 25 25 VAL HG11 H 1 0.78 0.01 . 1 . . . . 5 . . . 5481 1 64 . 1 1 25 25 VAL HG12 H 1 0.78 0.01 . 1 . . . . 5 . . . 5481 1 65 . 1 1 25 25 VAL HG13 H 1 0.78 0.01 . 1 . . . . 5 . . . 5481 1 66 . 1 1 25 25 VAL HG21 H 1 0.78 0.01 . 1 . . . . 5 . . . 5481 1 67 . 1 1 25 25 VAL HG22 H 1 0.78 0.01 . 1 . . . . 5 . . . 5481 1 68 . 1 1 25 25 VAL HG23 H 1 0.78 0.01 . 1 . . . . 5 . . . 5481 1 69 . 1 1 25 25 VAL C C 13 174.3 0.1 . 1 . . . . 5 . . . 5481 1 70 . 1 1 25 25 VAL CA C 13 61.8 0.1 . 1 . . . . 5 . . . 5481 1 71 . 1 1 25 25 VAL CB C 13 32.4 0.1 . 1 . . . . 5 . . . 5481 1 72 . 1 1 25 25 VAL CG1 C 13 21.2 0.1 . 1 . . . . 5 . . . 5481 1 73 . 1 1 25 25 VAL CG2 C 13 21.2 0.1 . 1 . . . . 5 . . . 5481 1 74 . 1 1 25 25 VAL N N 15 127.5 0.1 . 1 . . . . 5 . . . 5481 1 75 . 1 1 26 26 VAL H H 1 9.36 0.01 . 1 . . . . 6 . . . 5481 1 76 . 1 1 26 26 VAL HA H 1 4.57 0.01 . 1 . . . . 6 . . . 5481 1 77 . 1 1 26 26 VAL HB H 1 2.02 0.01 . 1 . . . . 6 . . . 5481 1 78 . 1 1 26 26 VAL HG11 H 1 1.04 0.01 . 2 . . . . 6 . . . 5481 1 79 . 1 1 26 26 VAL HG12 H 1 1.04 0.01 . 2 . . . . 6 . . . 5481 1 80 . 1 1 26 26 VAL HG13 H 1 1.04 0.01 . 2 . . . . 6 . . . 5481 1 81 . 1 1 26 26 VAL HG21 H 1 0.80 0.01 . 2 . . . . 6 . . . 5481 1 82 . 1 1 26 26 VAL HG22 H 1 0.80 0.01 . 2 . . . . 6 . . . 5481 1 83 . 1 1 26 26 VAL HG23 H 1 0.80 0.01 . 2 . . . . 6 . . . 5481 1 84 . 1 1 26 26 VAL C C 13 174.4 0.1 . 1 . . . . 6 . . . 5481 1 85 . 1 1 26 26 VAL CA C 13 61.4 0.1 . 1 . . . . 6 . . . 5481 1 86 . 1 1 26 26 VAL CB C 13 32.9 0.1 . 1 . . . . 6 . . . 5481 1 87 . 1 1 26 26 VAL CG1 C 13 22.1 0.1 . 2 . . . . 6 . . . 5481 1 88 . 1 1 26 26 VAL CG2 C 13 23.8 0.1 . 2 . . . . 6 . . . 5481 1 89 . 1 1 26 26 VAL N N 15 127.5 0.1 . 1 . . . . 6 . . . 5481 1 90 . 1 1 27 27 ASN H H 1 8.73 0.01 . 1 . . . . 7 . . . 5481 1 91 . 1 1 27 27 ASN HA H 1 5.53 0.01 . 1 . . . . 7 . . . 5481 1 92 . 1 1 27 27 ASN HB2 H 1 2.72 0.01 . 2 . . . . 7 . . . 5481 1 93 . 1 1 27 27 ASN HB3 H 1 2.82 0.01 . 2 . . . . 7 . . . 5481 1 94 . 1 1 27 27 ASN HD21 H 1 7.12 0.01 . 2 . . . . 7 . . . 5481 1 95 . 1 1 27 27 ASN HD22 H 1 7.50 0.01 . 2 . . . . 7 . . . 5481 1 96 . 1 1 27 27 ASN C C 13 174.6 0.1 . 1 . . . . 7 . . . 5481 1 97 . 1 1 27 27 ASN CA C 13 52.5 0.1 . 1 . . . . 7 . . . 5481 1 98 . 1 1 27 27 ASN CB C 13 42.1 0.1 . 1 . . . . 7 . . . 5481 1 99 . 1 1 27 27 ASN N N 15 125.9 0.1 . 1 . . . . 7 . . . 5481 1 100 . 1 1 27 27 ASN ND2 N 15 114.7 0.1 . 1 . . . . 7 . . . 5481 1 101 . 1 1 28 28 ASP H H 1 8.49 0.01 . 1 . . . . 8 . . . 5481 1 102 . 1 1 28 28 ASP HA H 1 5.09 0.01 . 1 . . . . 8 . . . 5481 1 103 . 1 1 28 28 ASP HB2 H 1 2.60 0.01 . 2 . . . . 8 . . . 5481 1 104 . 1 1 28 28 ASP HB3 H 1 3.31 0.01 . 2 . . . . 8 . . . 5481 1 105 . 1 1 28 28 ASP C C 13 177.7 0.1 . 1 . . . . 8 . . . 5481 1 106 . 1 1 28 28 ASP CA C 13 52.4 0.1 . 1 . . . . 8 . . . 5481 1 107 . 1 1 28 28 ASP CB C 13 42.1 0.1 . 1 . . . . 8 . . . 5481 1 108 . 1 1 28 28 ASP N N 15 124.9 0.1 . 1 . . . . 8 . . . 5481 1 109 . 1 1 29 29 ARG H H 1 8.76 0.01 . 1 . . . . 9 . . . 5481 1 110 . 1 1 29 29 ARG HA H 1 4.12 0.01 . 1 . . . . 9 . . . 5481 1 111 . 1 1 29 29 ARG HB2 H 1 2.02 0.01 . 1 . . . . 9 . . . 5481 1 112 . 1 1 29 29 ARG HB3 H 1 2.02 0.01 . 1 . . . . 9 . . . 5481 1 113 . 1 1 29 29 ARG HG2 H 1 1.76 0.01 . 1 . . . . 9 . . . 5481 1 114 . 1 1 29 29 ARG HG3 H 1 1.76 0.01 . 1 . . . . 9 . . . 5481 1 115 . 1 1 29 29 ARG HD2 H 1 3.20 0.01 . 1 . . . . 9 . . . 5481 1 116 . 1 1 29 29 ARG HD3 H 1 3.20 0.01 . 1 . . . . 9 . . . 5481 1 117 . 1 1 29 29 ARG C C 13 177.0 0.1 . 1 . . . . 9 . . . 5481 1 118 . 1 1 29 29 ARG CA C 13 57.7 0.1 . 1 . . . . 9 . . . 5481 1 119 . 1 1 29 29 ARG CB C 13 29.9 0.1 . 1 . . . . 9 . . . 5481 1 120 . 1 1 29 29 ARG CG C 13 27.1 0.1 . 1 . . . . 9 . . . 5481 1 121 . 1 1 29 29 ARG CD C 13 43.4 0.1 . 1 . . . . 9 . . . 5481 1 122 . 1 1 29 29 ARG N N 15 116.9 0.1 . 1 . . . . 9 . . . 5481 1 123 . 1 1 30 30 LEU H H 1 8.36 0.01 . 1 . . . . 10 . . . 5481 1 124 . 1 1 30 30 LEU HA H 1 4.51 0.01 . 1 . . . . 10 . . . 5481 1 125 . 1 1 30 30 LEU HB2 H 1 1.66 0.01 . 2 . . . . 10 . . . 5481 1 126 . 1 1 30 30 LEU HB3 H 1 1.89 0.01 . 2 . . . . 10 . . . 5481 1 127 . 1 1 30 30 LEU HG H 1 1.77 0.01 . 1 . . . . 10 . . . 5481 1 128 . 1 1 30 30 LEU HD11 H 1 0.92 0.01 . 2 . . . . 10 . . . 5481 1 129 . 1 1 30 30 LEU HD12 H 1 0.92 0.01 . 2 . . . . 10 . . . 5481 1 130 . 1 1 30 30 LEU HD13 H 1 0.92 0.01 . 2 . . . . 10 . . . 5481 1 131 . 1 1 30 30 LEU HD21 H 1 0.99 0.01 . 2 . . . . 10 . . . 5481 1 132 . 1 1 30 30 LEU HD22 H 1 0.99 0.01 . 2 . . . . 10 . . . 5481 1 133 . 1 1 30 30 LEU HD23 H 1 0.99 0.01 . 2 . . . . 10 . . . 5481 1 134 . 1 1 30 30 LEU C C 13 177.5 0.1 . 1 . . . . 10 . . . 5481 1 135 . 1 1 30 30 LEU CA C 13 54.6 0.1 . 1 . . . . 10 . . . 5481 1 136 . 1 1 30 30 LEU CB C 13 41.9 0.1 . 1 . . . . 10 . . . 5481 1 137 . 1 1 30 30 LEU CG C 13 27.5 0.1 . 1 . . . . 10 . . . 5481 1 138 . 1 1 30 30 LEU CD1 C 13 22.9 0.1 . 1 . . . . 10 . . . 5481 1 139 . 1 1 30 30 LEU CD2 C 13 25.4 0.1 . 1 . . . . 10 . . . 5481 1 140 . 1 1 30 30 LEU N N 15 120.8 0.1 . 1 . . . . 10 . . . 5481 1 141 . 1 1 31 31 GLY H H 1 8.07 0.01 . 1 . . . . 11 . . . 5481 1 142 . 1 1 31 31 GLY HA2 H 1 3.78 0.01 . 2 . . . . 11 . . . 5481 1 143 . 1 1 31 31 GLY HA3 H 1 4.28 0.01 . 2 . . . . 11 . . . 5481 1 144 . 1 1 31 31 GLY C C 13 174.5 0.1 . 1 . . . . 11 . . . 5481 1 145 . 1 1 31 31 GLY CA C 13 45.5 0.1 . 1 . . . . 11 . . . 5481 1 146 . 1 1 31 31 GLY N N 15 109.2 0.1 . 1 . . . . 11 . . . 5481 1 147 . 1 1 32 32 LYS H H 1 8.64 0.01 . 1 . . . . 12 . . . 5481 1 148 . 1 1 32 32 LYS HA H 1 4.39 0.01 . 1 . . . . 12 . . . 5481 1 149 . 1 1 32 32 LYS HB2 H 1 1.80 0.01 . 2 . . . . 12 . . . 5481 1 150 . 1 1 32 32 LYS HB3 H 1 1.88 0.01 . 2 . . . . 12 . . . 5481 1 151 . 1 1 32 32 LYS HG2 H 1 1.32 0.01 . 2 . . . . 12 . . . 5481 1 152 . 1 1 32 32 LYS HG3 H 1 1.49 0.01 . 2 . . . . 12 . . . 5481 1 153 . 1 1 32 32 LYS HD2 H 1 1.71 0.01 . 1 . . . . 12 . . . 5481 1 154 . 1 1 32 32 LYS HD3 H 1 1.71 0.01 . 1 . . . . 12 . . . 5481 1 155 . 1 1 32 32 LYS HE2 H 1 2.98 0.01 . 1 . . . . 12 . . . 5481 1 156 . 1 1 32 32 LYS HE3 H 1 2.98 0.01 . 1 . . . . 12 . . . 5481 1 157 . 1 1 32 32 LYS C C 13 175.7 0.1 . 1 . . . . 12 . . . 5481 1 158 . 1 1 32 32 LYS CA C 13 56.6 0.1 . 1 . . . . 12 . . . 5481 1 159 . 1 1 32 32 LYS CB C 13 32.9 0.1 . 1 . . . . 12 . . . 5481 1 160 . 1 1 32 32 LYS CG C 13 25.1 0.1 . 1 . . . . 12 . . . 5481 1 161 . 1 1 32 32 LYS CD C 13 29.3 0.1 . 1 . . . . 12 . . . 5481 1 162 . 1 1 32 32 LYS CE C 13 44.5 0.1 . 1 . . . . 12 . . . 5481 1 163 . 1 1 32 32 LYS N N 15 124.6 0.1 . 1 . . . . 12 . . . 5481 1 164 . 1 1 33 33 LYS H H 1 8.35 0.01 . 1 . . . . 13 . . . 5481 1 165 . 1 1 33 33 LYS HA H 1 5.19 0.01 . 1 . . . . 13 . . . 5481 1 166 . 1 1 33 33 LYS HB2 H 1 1.53 0.01 . 2 . . . . 13 . . . 5481 1 167 . 1 1 33 33 LYS HB3 H 1 1.70 0.01 . 2 . . . . 13 . . . 5481 1 168 . 1 1 33 33 LYS HG2 H 1 1.41 0.01 . 1 . . . . 13 . . . 5481 1 169 . 1 1 33 33 LYS HG3 H 1 1.41 0.01 . 1 . . . . 13 . . . 5481 1 170 . 1 1 33 33 LYS HD2 H 1 1.64 0.01 . 1 . . . . 13 . . . 5481 1 171 . 1 1 33 33 LYS HD3 H 1 1.64 0.01 . 1 . . . . 13 . . . 5481 1 172 . 1 1 33 33 LYS HE2 H 1 3.00 0.01 . 1 . . . . 13 . . . 5481 1 173 . 1 1 33 33 LYS HE3 H 1 3.00 0.01 . 1 . . . . 13 . . . 5481 1 174 . 1 1 33 33 LYS C C 13 176.2 0.1 . 1 . . . . 13 . . . 5481 1 175 . 1 1 33 33 LYS CA C 13 55.6 0.1 . 1 . . . . 13 . . . 5481 1 176 . 1 1 33 33 LYS CB C 13 34.8 0.1 . 1 . . . . 13 . . . 5481 1 177 . 1 1 33 33 LYS CG C 13 25.0 0.1 . 1 . . . . 13 . . . 5481 1 178 . 1 1 33 33 LYS CD C 13 29.5 0.1 . 1 . . . . 13 . . . 5481 1 179 . 1 1 33 33 LYS CE C 13 42.1 0.1 . 1 . . . . 13 . . . 5481 1 180 . 1 1 33 33 LYS N N 15 124.9 0.1 . 1 . . . . 13 . . . 5481 1 181 . 1 1 34 34 VAL H H 1 9.07 0.01 . 1 . . . . 14 . . . 5481 1 182 . 1 1 34 34 VAL HA H 1 4.38 0.01 . 1 . . . . 14 . . . 5481 1 183 . 1 1 34 34 VAL HB H 1 1.89 0.01 . 1 . . . . 14 . . . 5481 1 184 . 1 1 34 34 VAL HG11 H 1 0.74 0.01 . 2 . . . . 14 . . . 5481 1 185 . 1 1 34 34 VAL HG12 H 1 0.74 0.01 . 2 . . . . 14 . . . 5481 1 186 . 1 1 34 34 VAL HG13 H 1 0.74 0.01 . 2 . . . . 14 . . . 5481 1 187 . 1 1 34 34 VAL HG21 H 1 0.77 0.01 . 2 . . . . 14 . . . 5481 1 188 . 1 1 34 34 VAL HG22 H 1 0.77 0.01 . 2 . . . . 14 . . . 5481 1 189 . 1 1 34 34 VAL HG23 H 1 0.77 0.01 . 2 . . . . 14 . . . 5481 1 190 . 1 1 34 34 VAL C C 13 173.9 0.1 . 1 . . . . 14 . . . 5481 1 191 . 1 1 34 34 VAL CA C 13 60.6 0.1 . 1 . . . . 14 . . . 5481 1 192 . 1 1 34 34 VAL CB C 13 34.8 0.1 . 1 . . . . 14 . . . 5481 1 193 . 1 1 34 34 VAL CG1 C 13 20.1 0.1 . 2 . . . . 14 . . . 5481 1 194 . 1 1 34 34 VAL CG2 C 13 21.5 0.1 . 2 . . . . 14 . . . 5481 1 195 . 1 1 34 34 VAL N N 15 123.8 0.1 . 1 . . . . 14 . . . 5481 1 196 . 1 1 35 35 ARG H H 1 8.67 0.01 . 1 . . . . 15 . . . 5481 1 197 . 1 1 35 35 ARG HA H 1 5.10 0.01 . 1 . . . . 15 . . . 5481 1 198 . 1 1 35 35 ARG HB2 H 1 1.65 0.01 . 1 . . . . 15 . . . 5481 1 199 . 1 1 35 35 ARG HB3 H 1 1.65 0.01 . 1 . . . . 15 . . . 5481 1 200 . 1 1 35 35 ARG HG2 H 1 1.42 0.01 . 2 . . . . 15 . . . 5481 1 201 . 1 1 35 35 ARG HG3 H 1 1.58 0.01 . 2 . . . . 15 . . . 5481 1 202 . 1 1 35 35 ARG HD2 H 1 3.17 0.01 . 1 . . . . 15 . . . 5481 1 203 . 1 1 35 35 ARG HD3 H 1 3.17 0.01 . 1 . . . . 15 . . . 5481 1 204 . 1 1 35 35 ARG C C 13 175.8 0.1 . 1 . . . . 15 . . . 5481 1 205 . 1 1 35 35 ARG CA C 13 55.3 0.1 . 1 . . . . 15 . . . 5481 1 206 . 1 1 35 35 ARG CB C 13 31.7 0.1 . 1 . . . . 15 . . . 5481 1 207 . 1 1 35 35 ARG CG C 13 29.1 0.1 . 1 . . . . 15 . . . 5481 1 208 . 1 1 35 35 ARG CD C 13 42.9 0.1 . 1 . . . . 15 . . . 5481 1 209 . 1 1 35 35 ARG N N 15 125.9 0.1 . 1 . . . . 15 . . . 5481 1 210 . 1 1 36 36 VAL H H 1 9.24 0.01 . 1 . . . . 16 . . . 5481 1 211 . 1 1 36 36 VAL HA H 1 4.36 0.01 . 1 . . . . 16 . . . 5481 1 212 . 1 1 36 36 VAL HB H 1 2.00 0.01 . 1 . . . . 16 . . . 5481 1 213 . 1 1 36 36 VAL HG21 H 1 0.66 0.01 . 1 . . . . 16 . . . 5481 1 214 . 1 1 36 36 VAL HG22 H 1 0.66 0.01 . 1 . . . . 16 . . . 5481 1 215 . 1 1 36 36 VAL HG23 H 1 0.66 0.01 . 1 . . . . 16 . . . 5481 1 216 . 1 1 36 36 VAL HG11 H 1 0.54 0.01 . 1 . . . . 16 . . . 5481 1 217 . 1 1 36 36 VAL HG12 H 1 0.54 0.01 . 1 . . . . 16 . . . 5481 1 218 . 1 1 36 36 VAL HG13 H 1 0.54 0.01 . 1 . . . . 16 . . . 5481 1 219 . 1 1 36 36 VAL C C 13 174.9 0.1 . 1 . . . . 16 . . . 5481 1 220 . 1 1 36 36 VAL CA C 13 61.1 0.1 . 1 . . . . 16 . . . 5481 1 221 . 1 1 36 36 VAL CB C 13 35.0 0.1 . 1 . . . . 16 . . . 5481 1 222 . 1 1 36 36 VAL CG2 C 13 21.6 0.1 . 1 . . . . 16 . . . 5481 1 223 . 1 1 36 36 VAL CG1 C 13 21.4 0.1 . 1 . . . . 16 . . . 5481 1 224 . 1 1 36 36 VAL N N 15 126.4 0.1 . 1 . . . . 16 . . . 5481 1 225 . 1 1 37 37 LYS H H 1 8.56 0.01 . 1 . . . . 17 . . . 5481 1 226 . 1 1 37 37 LYS HA H 1 5.47 0.01 . 1 . . . . 17 . . . 5481 1 227 . 1 1 37 37 LYS HB2 H 1 1.80 0.01 . 1 . . . . 17 . . . 5481 1 228 . 1 1 37 37 LYS HB3 H 1 1.80 0.01 . 1 . . . . 17 . . . 5481 1 229 . 1 1 37 37 LYS HG2 H 1 1.41 0.01 . 2 . . . . 17 . . . 5481 1 230 . 1 1 37 37 LYS HG3 H 1 1.61 0.01 . 2 . . . . 17 . . . 5481 1 231 . 1 1 37 37 LYS HD2 H 1 1.69 0.01 . 1 . . . . 17 . . . 5481 1 232 . 1 1 37 37 LYS HD3 H 1 1.69 0.01 . 1 . . . . 17 . . . 5481 1 233 . 1 1 37 37 LYS HE2 H 1 2.99 0.01 . 1 . . . . 17 . . . 5481 1 234 . 1 1 37 37 LYS HE3 H 1 2.99 0.01 . 1 . . . . 17 . . . 5481 1 235 . 1 1 37 37 LYS C C 13 176.1 0.1 . 1 . . . . 17 . . . 5481 1 236 . 1 1 37 37 LYS CA C 13 55.4 0.1 . 1 . . . . 17 . . . 5481 1 237 . 1 1 37 37 LYS CB C 13 33.4 0.1 . 1 . . . . 17 . . . 5481 1 238 . 1 1 37 37 LYS CG C 13 25.6 0.1 . 1 . . . . 17 . . . 5481 1 239 . 1 1 37 37 LYS CD C 13 29.5 0.1 . 1 . . . . 17 . . . 5481 1 240 . 1 1 37 37 LYS CE C 13 41.6 0.1 . 1 . . . . 17 . . . 5481 1 241 . 1 1 37 37 LYS N N 15 128.3 0.1 . 1 . . . . 17 . . . 5481 1 242 . 1 1 38 38 CYS H H 1 9.25 0.01 . 1 . . . . 18 . . . 5481 1 243 . 1 1 38 38 CYS HA H 1 4.92 0.01 . 1 . . . . 18 . . . 5481 1 244 . 1 1 38 38 CYS HB2 H 1 3.01 0.01 . 2 . . . . 18 . . . 5481 1 245 . 1 1 38 38 CYS HB3 H 1 3.50 0.01 . 2 . . . . 18 . . . 5481 1 246 . 1 1 38 38 CYS C C 13 171.3 0.1 . 1 . . . . 18 . . . 5481 1 247 . 1 1 38 38 CYS CA C 13 56.8 0.1 . 1 . . . . 18 . . . 5481 1 248 . 1 1 38 38 CYS CB C 13 29.7 0.1 . 1 . . . . 18 . . . 5481 1 249 . 1 1 38 38 CYS N N 15 120.8 0.1 . 1 . . . . 18 . . . 5481 1 250 . 1 1 39 39 LEU H H 1 8.37 0.01 . 1 . . . . 19 . . . 5481 1 251 . 1 1 39 39 LEU HA H 1 5.01 0.01 . 1 . . . . 19 . . . 5481 1 252 . 1 1 39 39 LEU HB2 H 1 1.62 0.01 . 2 . . . . 19 . . . 5481 1 253 . 1 1 39 39 LEU HB3 H 1 1.82 0.01 . 2 . . . . 19 . . . 5481 1 254 . 1 1 39 39 LEU HG H 1 1.76 0.01 . 1 . . . . 19 . . . 5481 1 255 . 1 1 39 39 LEU HD11 H 1 0.85 0.01 . 2 . . . . 19 . . . 5481 1 256 . 1 1 39 39 LEU HD12 H 1 0.85 0.01 . 2 . . . . 19 . . . 5481 1 257 . 1 1 39 39 LEU HD13 H 1 0.85 0.01 . 2 . . . . 19 . . . 5481 1 258 . 1 1 39 39 LEU HD21 H 1 0.97 0.01 . 2 . . . . 19 . . . 5481 1 259 . 1 1 39 39 LEU HD22 H 1 0.97 0.01 . 2 . . . . 19 . . . 5481 1 260 . 1 1 39 39 LEU HD23 H 1 0.97 0.01 . 2 . . . . 19 . . . 5481 1 261 . 1 1 39 39 LEU C C 13 178.1 0.1 . 1 . . . . 19 . . . 5481 1 262 . 1 1 39 39 LEU CA C 13 53.7 0.1 . 1 . . . . 19 . . . 5481 1 263 . 1 1 39 39 LEU CB C 13 42.6 0.1 . 1 . . . . 19 . . . 5481 1 264 . 1 1 39 39 LEU CG C 13 27.1 0.1 . 1 . . . . 19 . . . 5481 1 265 . 1 1 39 39 LEU CD1 C 13 23.5 0.1 . 2 . . . . 19 . . . 5481 1 266 . 1 1 39 39 LEU CD2 C 13 25.6 0.1 . 2 . . . . 19 . . . 5481 1 267 . 1 1 39 39 LEU N N 15 119.7 0.1 . 1 . . . . 19 . . . 5481 1 268 . 1 1 40 40 ALA H H 1 8.78 0.01 . 1 . . . . 20 . . . 5481 1 269 . 1 1 40 40 ALA HA H 1 3.93 0.01 . 1 . . . . 20 . . . 5481 1 270 . 1 1 40 40 ALA HB1 H 1 1.40 0.01 . 1 . . . . 20 . . . 5481 1 271 . 1 1 40 40 ALA HB2 H 1 1.40 0.01 . 1 . . . . 20 . . . 5481 1 272 . 1 1 40 40 ALA HB3 H 1 1.40 0.01 . 1 . . . . 20 . . . 5481 1 273 . 1 1 40 40 ALA C C 13 177.3 0.1 . 1 . . . . 20 . . . 5481 1 274 . 1 1 40 40 ALA CA C 13 54.7 0.1 . 1 . . . . 20 . . . 5481 1 275 . 1 1 40 40 ALA CB C 13 18.3 0.1 . 1 . . . . 20 . . . 5481 1 276 . 1 1 40 40 ALA N N 15 124.8 0.1 . 1 . . . . 20 . . . 5481 1 277 . 1 1 41 41 GLU H H 1 8.14 0.01 . 1 . . . . 21 . . . 5481 1 278 . 1 1 41 41 GLU HA H 1 4.25 0.01 . 1 . . . . 21 . . . 5481 1 279 . 1 1 41 41 GLU HB2 H 1 2.12 0.01 . 1 . . . . 21 . . . 5481 1 280 . 1 1 41 41 GLU HB3 H 1 2.12 0.01 . 1 . . . . 21 . . . 5481 1 281 . 1 1 41 41 GLU HG2 H 1 2.24 0.01 . 2 . . . . 21 . . . 5481 1 282 . 1 1 41 41 GLU HG3 H 1 2.37 0.01 . 2 . . . . 21 . . . 5481 1 283 . 1 1 41 41 GLU C C 13 176.6 0.1 . 1 . . . . 21 . . . 5481 1 284 . 1 1 41 41 GLU CA C 13 56.9 0.1 . 1 . . . . 21 . . . 5481 1 285 . 1 1 41 41 GLU CB C 13 29.4 0.1 . 1 . . . . 21 . . . 5481 1 286 . 1 1 41 41 GLU CG C 13 36.5 0.1 . 1 . . . . 21 . . . 5481 1 287 . 1 1 41 41 GLU N N 15 110.9 0.1 . 1 . . . . 21 . . . 5481 1 288 . 1 1 42 42 ASP H H 1 7.75 0.01 . 1 . . . . 22 . . . 5481 1 289 . 1 1 42 42 ASP HA H 1 4.67 0.01 . 1 . . . . 22 . . . 5481 1 290 . 1 1 42 42 ASP HB2 H 1 2.78 0.01 . 2 . . . . 22 . . . 5481 1 291 . 1 1 42 42 ASP HB3 H 1 3.12 0.01 . 2 . . . . 22 . . . 5481 1 292 . 1 1 42 42 ASP C C 13 175.6 0.1 . 1 . . . . 22 . . . 5481 1 293 . 1 1 42 42 ASP CA C 13 55.5 0.1 . 1 . . . . 22 . . . 5481 1 294 . 1 1 42 42 ASP CB C 13 41.1 0.1 . 1 . . . . 22 . . . 5481 1 295 . 1 1 42 42 ASP N N 15 123.3 0.1 . 1 . . . . 22 . . . 5481 1 296 . 1 1 43 43 SER H H 1 8.96 0.01 . 1 . . . . 23 . . . 5481 1 297 . 1 1 43 43 SER HA H 1 4.59 0.01 . 1 . . . . 23 . . . 5481 1 298 . 1 1 43 43 SER HB2 H 1 4.10 0.01 . 2 . . . . 23 . . . 5481 1 299 . 1 1 43 43 SER HB3 H 1 4.46 0.01 . 2 . . . . 23 . . . 5481 1 300 . 1 1 43 43 SER C C 13 175.6 0.1 . 1 . . . . 23 . . . 5481 1 301 . 1 1 43 43 SER CA C 13 57.5 0.1 . 1 . . . . 23 . . . 5481 1 302 . 1 1 43 43 SER CB C 13 65.0 0.1 . 1 . . . . 23 . . . 5481 1 303 . 1 1 43 43 SER N N 15 115.4 0.1 . 1 . . . . 23 . . . 5481 1 304 . 1 1 44 44 VAL H H 1 8.70 0.01 . 1 . . . . 24 . . . 5481 1 305 . 1 1 44 44 VAL HA H 1 3.58 0.01 . 1 . . . . 24 . . . 5481 1 306 . 1 1 44 44 VAL HB H 1 2.75 0.01 . 1 . . . . 24 . . . 5481 1 307 . 1 1 44 44 VAL HG11 H 1 0.82 0.01 . 1 . . . . 24 . . . 5481 1 308 . 1 1 44 44 VAL HG12 H 1 0.82 0.01 . 1 . . . . 24 . . . 5481 1 309 . 1 1 44 44 VAL HG13 H 1 0.82 0.01 . 1 . . . . 24 . . . 5481 1 310 . 1 1 44 44 VAL HG21 H 1 1.13 0.01 . 1 . . . . 24 . . . 5481 1 311 . 1 1 44 44 VAL HG22 H 1 1.13 0.01 . 1 . . . . 24 . . . 5481 1 312 . 1 1 44 44 VAL HG23 H 1 1.13 0.01 . 1 . . . . 24 . . . 5481 1 313 . 1 1 44 44 VAL C C 13 178.5 0.1 . 1 . . . . 24 . . . 5481 1 314 . 1 1 44 44 VAL CA C 13 67.1 0.1 . 1 . . . . 24 . . . 5481 1 315 . 1 1 44 44 VAL CB C 13 31.3 0.1 . 1 . . . . 24 . . . 5481 1 316 . 1 1 44 44 VAL CG1 C 13 21.5 0.1 . 1 . . . . 24 . . . 5481 1 317 . 1 1 44 44 VAL CG2 C 13 25.4 0.1 . 1 . . . . 24 . . . 5481 1 318 . 1 1 44 44 VAL N N 15 123.5 0.1 . 1 . . . . 24 . . . 5481 1 319 . 1 1 45 45 GLY H H 1 9.77 0.01 . 1 . . . . 25 . . . 5481 1 320 . 1 1 45 45 GLY HA2 H 1 3.65 0.01 . 2 . . . . 25 . . . 5481 1 321 . 1 1 45 45 GLY HA3 H 1 4.05 0.01 . 2 . . . . 25 . . . 5481 1 322 . 1 1 45 45 GLY C C 13 176.5 0.1 . 1 . . . . 25 . . . 5481 1 323 . 1 1 45 45 GLY CA C 13 47.3 0.1 . 1 . . . . 25 . . . 5481 1 324 . 1 1 45 45 GLY N N 15 109.2 0.1 . 1 . . . . 25 . . . 5481 1 325 . 1 1 46 46 ASP H H 1 8.25 0.01 . 1 . . . . 26 . . . 5481 1 326 . 1 1 46 46 ASP HA H 1 4.49 0.01 . 1 . . . . 26 . . . 5481 1 327 . 1 1 46 46 ASP HB2 H 1 2.78 0.01 . 2 . . . . 26 . . . 5481 1 328 . 1 1 46 46 ASP HB3 H 1 3.05 0.01 . 2 . . . . 26 . . . 5481 1 329 . 1 1 46 46 ASP C C 13 179.0 0.1 . 1 . . . . 26 . . . 5481 1 330 . 1 1 46 46 ASP CA C 13 57.8 0.1 . 1 . . . . 26 . . . 5481 1 331 . 1 1 46 46 ASP CB C 13 39.8 0.1 . 1 . . . . 26 . . . 5481 1 332 . 1 1 46 46 ASP N N 15 125.2 0.1 . 1 . . . . 26 . . . 5481 1 333 . 1 1 47 47 PHE H H 1 8.83 0.01 . 1 . . . . 27 . . . 5481 1 334 . 1 1 47 47 PHE HA H 1 4.21 0.01 . 1 . . . . 27 . . . 5481 1 335 . 1 1 47 47 PHE HB2 H 1 3.11 0.01 . 2 . . . . 27 . . . 5481 1 336 . 1 1 47 47 PHE HB3 H 1 3.51 0.01 . 2 . . . . 27 . . . 5481 1 337 . 1 1 47 47 PHE HD1 H 1 7.09 0.01 . 3 . . . . 27 . . . 5481 1 338 . 1 1 47 47 PHE HE1 H 1 7.00 0.01 . 3 . . . . 27 . . . 5481 1 339 . 1 1 47 47 PHE HZ H 1 6.75 0.01 . 1 . . . . 27 . . . 5481 1 340 . 1 1 47 47 PHE C C 13 177.4 0.1 . 1 . . . . 27 . . . 5481 1 341 . 1 1 47 47 PHE CA C 13 61.9 0.1 . 1 . . . . 27 . . . 5481 1 342 . 1 1 47 47 PHE CB C 13 39.6 0.1 . 1 . . . . 27 . . . 5481 1 343 . 1 1 47 47 PHE CD1 C 13 131.8 0.1 . 3 . . . . 27 . . . 5481 1 344 . 1 1 47 47 PHE CE1 C 13 130.3 0.1 . 3 . . . . 27 . . . 5481 1 345 . 1 1 47 47 PHE CZ C 13 127.7 0.1 . 1 . . . . 27 . . . 5481 1 346 . 1 1 47 47 PHE N N 15 124.9 0.1 . 1 . . . . 27 . . . 5481 1 347 . 1 1 48 48 LYS H H 1 9.13 0.01 . 1 . . . . 28 . . . 5481 1 348 . 1 1 48 48 LYS HA H 1 3.68 0.01 . 1 . . . . 28 . . . 5481 1 349 . 1 1 48 48 LYS HB2 H 1 1.77 0.01 . 2 . . . . 28 . . . 5481 1 350 . 1 1 48 48 LYS HB3 H 1 2.23 0.01 . 2 . . . . 28 . . . 5481 1 351 . 1 1 48 48 LYS HG2 H 1 1.11 0.01 . 2 . . . . 28 . . . 5481 1 352 . 1 1 48 48 LYS HG3 H 1 2.05 0.01 . 2 . . . . 28 . . . 5481 1 353 . 1 1 48 48 LYS HD2 H 1 1.89 0.01 . 1 . . . . 28 . . . 5481 1 354 . 1 1 48 48 LYS HD3 H 1 1.89 0.01 . 1 . . . . 28 . . . 5481 1 355 . 1 1 48 48 LYS HE2 H 1 2.66 0.01 . 2 . . . . 28 . . . 5481 1 356 . 1 1 48 48 LYS HE3 H 1 2.82 0.01 . 2 . . . . 28 . . . 5481 1 357 . 1 1 48 48 LYS C C 13 179.2 0.1 . 1 . . . . 28 . . . 5481 1 358 . 1 1 48 48 LYS CA C 13 61.0 0.1 . 1 . . . . 28 . . . 5481 1 359 . 1 1 48 48 LYS CB C 13 33.8 0.1 . 1 . . . . 28 . . . 5481 1 360 . 1 1 48 48 LYS CG C 13 28.4 0.1 . 1 . . . . 28 . . . 5481 1 361 . 1 1 48 48 LYS CD C 13 30.4 0.1 . 1 . . . . 28 . . . 5481 1 362 . 1 1 48 48 LYS CE C 13 42.2 0.1 . 1 . . . . 28 . . . 5481 1 363 . 1 1 48 48 LYS N N 15 118.1 0.1 . 1 . . . . 28 . . . 5481 1 364 . 1 1 49 49 LYS H H 1 7.68 0.01 . 1 . . . . 29 . . . 5481 1 365 . 1 1 49 49 LYS HA H 1 3.94 0.01 . 1 . . . . 29 . . . 5481 1 366 . 1 1 49 49 LYS HB2 H 1 2.10 0.01 . 1 . . . . 29 . . . 5481 1 367 . 1 1 49 49 LYS HB3 H 1 2.10 0.01 . 1 . . . . 29 . . . 5481 1 368 . 1 1 49 49 LYS HG2 H 1 1.43 0.01 . 2 . . . . 29 . . . 5481 1 369 . 1 1 49 49 LYS HG3 H 1 1.78 0.01 . 2 . . . . 29 . . . 5481 1 370 . 1 1 49 49 LYS HD2 H 1 1.80 0.01 . 1 . . . . 29 . . . 5481 1 371 . 1 1 49 49 LYS HD3 H 1 1.80 0.01 . 1 . . . . 29 . . . 5481 1 372 . 1 1 49 49 LYS HE2 H 1 3.03 0.01 . 1 . . . . 29 . . . 5481 1 373 . 1 1 49 49 LYS HE3 H 1 3.03 0.01 . 1 . . . . 29 . . . 5481 1 374 . 1 1 49 49 LYS C C 13 178.6 0.1 . 1 . . . . 29 . . . 5481 1 375 . 1 1 49 49 LYS CA C 13 60.8 0.1 . 1 . . . . 29 . . . 5481 1 376 . 1 1 49 49 LYS CB C 13 32.2 0.1 . 1 . . . . 29 . . . 5481 1 377 . 1 1 49 49 LYS CG C 13 25.6 0.1 . 1 . . . . 29 . . . 5481 1 378 . 1 1 49 49 LYS CD C 13 29.7 0.1 . 1 . . . . 29 . . . 5481 1 379 . 1 1 49 49 LYS CE C 13 42.3 0.1 . 1 . . . . 29 . . . 5481 1 380 . 1 1 49 49 LYS N N 15 120.8 0.1 . 1 . . . . 29 . . . 5481 1 381 . 1 1 50 50 VAL H H 1 7.40 0.01 . 1 . . . . 30 . . . 5481 1 382 . 1 1 50 50 VAL HA H 1 3.69 0.01 . 1 . . . . 30 . . . 5481 1 383 . 1 1 50 50 VAL HB H 1 1.98 0.01 . 1 . . . . 30 . . . 5481 1 384 . 1 1 50 50 VAL HG11 H 1 0.96 0.01 . 1 . . . . 30 . . . 5481 1 385 . 1 1 50 50 VAL HG12 H 1 0.96 0.01 . 1 . . . . 30 . . . 5481 1 386 . 1 1 50 50 VAL HG13 H 1 0.96 0.01 . 1 . . . . 30 . . . 5481 1 387 . 1 1 50 50 VAL HG21 H 1 1.08 0.01 . 1 . . . . 30 . . . 5481 1 388 . 1 1 50 50 VAL HG22 H 1 1.08 0.01 . 1 . . . . 30 . . . 5481 1 389 . 1 1 50 50 VAL HG23 H 1 1.08 0.01 . 1 . . . . 30 . . . 5481 1 390 . 1 1 50 50 VAL C C 13 179.0 0.1 . 1 . . . . 30 . . . 5481 1 391 . 1 1 50 50 VAL CA C 13 66.4 0.1 . 1 . . . . 30 . . . 5481 1 392 . 1 1 50 50 VAL CB C 13 31.9 0.1 . 1 . . . . 30 . . . 5481 1 393 . 1 1 50 50 VAL CG1 C 13 22.0 0.1 . 1 . . . . 30 . . . 5481 1 394 . 1 1 50 50 VAL CG2 C 13 22.0 0.1 . 1 . . . . 30 . . . 5481 1 395 . 1 1 50 50 VAL N N 15 120.8 0.1 . 1 . . . . 30 . . . 5481 1 396 . 1 1 51 51 LEU H H 1 8.45 0.01 . 1 . . . . 31 . . . 5481 1 397 . 1 1 51 51 LEU HA H 1 3.71 0.01 . 1 . . . . 31 . . . 5481 1 398 . 1 1 51 51 LEU HB2 H 1 0.92 0.01 . 2 . . . . 31 . . . 5481 1 399 . 1 1 51 51 LEU HB3 H 1 1.62 0.01 . 2 . . . . 31 . . . 5481 1 400 . 1 1 51 51 LEU HG H 1 1.34 0.01 . 1 . . . . 31 . . . 5481 1 401 . 1 1 51 51 LEU HD11 H 1 0.76 0.01 . 1 . . . . 31 . . . 5481 1 402 . 1 1 51 51 LEU HD12 H 1 0.76 0.01 . 1 . . . . 31 . . . 5481 1 403 . 1 1 51 51 LEU HD13 H 1 0.76 0.01 . 1 . . . . 31 . . . 5481 1 404 . 1 1 51 51 LEU HD21 H 1 0.92 0.01 . 1 . . . . 31 . . . 5481 1 405 . 1 1 51 51 LEU HD22 H 1 0.92 0.01 . 1 . . . . 31 . . . 5481 1 406 . 1 1 51 51 LEU HD23 H 1 0.92 0.01 . 1 . . . . 31 . . . 5481 1 407 . 1 1 51 51 LEU C C 13 178.3 0.1 . 1 . . . . 31 . . . 5481 1 408 . 1 1 51 51 LEU CA C 13 57.8 0.1 . 1 . . . . 31 . . . 5481 1 409 . 1 1 51 51 LEU CB C 13 41.9 0.1 . 1 . . . . 31 . . . 5481 1 410 . 1 1 51 51 LEU CG C 13 27.2 0.1 . 1 . . . . 31 . . . 5481 1 411 . 1 1 51 51 LEU CD1 C 13 23.4 0.1 . 1 . . . . 31 . . . 5481 1 412 . 1 1 51 51 LEU CD2 C 13 28.4 0.1 . 1 . . . . 31 . . . 5481 1 413 . 1 1 51 51 LEU N N 15 121.7 0.1 . 1 . . . . 31 . . . 5481 1 414 . 1 1 52 52 SER H H 1 8.35 0.01 . 1 . . . . 32 . . . 5481 1 415 . 1 1 52 52 SER HA H 1 4.00 0.01 . 1 . . . . 32 . . . 5481 1 416 . 1 1 52 52 SER HB2 H 1 3.91 0.01 . 1 . . . . 32 . . . 5481 1 417 . 1 1 52 52 SER HB3 H 1 3.91 0.01 . 1 . . . . 32 . . . 5481 1 418 . 1 1 52 52 SER C C 13 176.0 0.1 . 1 . . . . 32 . . . 5481 1 419 . 1 1 52 52 SER CA C 13 62.5 0.1 . 1 . . . . 32 . . . 5481 1 420 . 1 1 52 52 SER CB C 13 62.5 0.1 . 1 . . . . 32 . . . 5481 1 421 . 1 1 52 52 SER N N 15 113.9 0.1 . 1 . . . . 32 . . . 5481 1 422 . 1 1 53 53 LEU H H 1 7.25 0.01 . 1 . . . . 33 . . . 5481 1 423 . 1 1 53 53 LEU HA H 1 4.24 0.01 . 1 . . . . 33 . . . 5481 1 424 . 1 1 53 53 LEU HB2 H 1 1.67 0.01 . 2 . . . . 33 . . . 5481 1 425 . 1 1 53 53 LEU HB3 H 1 1.94 0.01 . 2 . . . . 33 . . . 5481 1 426 . 1 1 53 53 LEU HG H 1 1.88 0.01 . 1 . . . . 33 . . . 5481 1 427 . 1 1 53 53 LEU HD11 H 1 0.95 0.01 . 2 . . . . 33 . . . 5481 1 428 . 1 1 53 53 LEU HD12 H 1 0.95 0.01 . 2 . . . . 33 . . . 5481 1 429 . 1 1 53 53 LEU HD13 H 1 0.95 0.01 . 2 . . . . 33 . . . 5481 1 430 . 1 1 53 53 LEU HD21 H 1 0.99 0.01 . 2 . . . . 33 . . . 5481 1 431 . 1 1 53 53 LEU HD22 H 1 0.99 0.01 . 2 . . . . 33 . . . 5481 1 432 . 1 1 53 53 LEU HD23 H 1 0.99 0.01 . 2 . . . . 33 . . . 5481 1 433 . 1 1 53 53 LEU C C 13 179.2 0.1 . 1 . . . . 33 . . . 5481 1 434 . 1 1 53 53 LEU CA C 13 57.4 0.1 . 1 . . . . 33 . . . 5481 1 435 . 1 1 53 53 LEU CB C 13 42.1 0.1 . 1 . . . . 33 . . . 5481 1 436 . 1 1 53 53 LEU CG C 13 27.1 0.1 . 1 . . . . 33 . . . 5481 1 437 . 1 1 53 53 LEU CD1 C 13 23.3 0.1 . 2 . . . . 33 . . . 5481 1 438 . 1 1 53 53 LEU CD2 C 13 25.1 0.1 . 2 . . . . 33 . . . 5481 1 439 . 1 1 53 53 LEU N N 15 121.5 0.1 . 1 . . . . 33 . . . 5481 1 440 . 1 1 54 54 GLN H H 1 7.61 0.01 . 1 . . . . 34 . . . 5481 1 441 . 1 1 54 54 GLN HA H 1 4.25 0.01 . 1 . . . . 34 . . . 5481 1 442 . 1 1 54 54 GLN HB2 H 1 2.19 0.01 . 1 . . . . 34 . . . 5481 1 443 . 1 1 54 54 GLN HB3 H 1 2.19 0.01 . 1 . . . . 34 . . . 5481 1 444 . 1 1 54 54 GLN HG2 H 1 2.38 0.01 . 2 . . . . 34 . . . 5481 1 445 . 1 1 54 54 GLN HG3 H 1 2.47 0.01 . 2 . . . . 34 . . . 5481 1 446 . 1 1 54 54 GLN HE21 H 1 6.93 0.01 . 2 . . . . 34 . . . 5481 1 447 . 1 1 54 54 GLN HE22 H 1 7.37 0.01 . 2 . . . . 34 . . . 5481 1 448 . 1 1 54 54 GLN C C 13 177.9 0.1 . 1 . . . . 34 . . . 5481 1 449 . 1 1 54 54 GLN CA C 13 58.4 0.1 . 1 . . . . 34 . . . 5481 1 450 . 1 1 54 54 GLN CB C 13 29.9 0.1 . 1 . . . . 34 . . . 5481 1 451 . 1 1 54 54 GLN CG C 13 34.6 0.1 . 1 . . . . 34 . . . 5481 1 452 . 1 1 54 54 GLN N N 15 117.4 0.1 . 1 . . . . 34 . . . 5481 1 453 . 1 1 54 54 GLN NE2 N 15 110.7 0.1 . 1 . . . . 34 . . . 5481 1 454 . 1 1 55 55 ILE H H 1 7.68 0.01 . 1 . . . . 35 . . . 5481 1 455 . 1 1 55 55 ILE HA H 1 4.63 0.01 . 1 . . . . 35 . . . 5481 1 456 . 1 1 55 55 ILE HB H 1 2.27 0.01 . 1 . . . . 35 . . . 5481 1 457 . 1 1 55 55 ILE HG12 H 1 1.28 0.01 . 2 . . . . 35 . . . 5481 1 458 . 1 1 55 55 ILE HG13 H 1 1.39 0.01 . 2 . . . . 35 . . . 5481 1 459 . 1 1 55 55 ILE HG21 H 1 0.89 0.01 . 1 . . . . 35 . . . 5481 1 460 . 1 1 55 55 ILE HG22 H 1 0.89 0.01 . 1 . . . . 35 . . . 5481 1 461 . 1 1 55 55 ILE HG23 H 1 0.89 0.01 . 1 . . . . 35 . . . 5481 1 462 . 1 1 55 55 ILE HD11 H 1 0.83 0.01 . 1 . . . . 35 . . . 5481 1 463 . 1 1 55 55 ILE HD12 H 1 0.83 0.01 . 1 . . . . 35 . . . 5481 1 464 . 1 1 55 55 ILE HD13 H 1 0.83 0.01 . 1 . . . . 35 . . . 5481 1 465 . 1 1 55 55 ILE C C 13 176.6 0.1 . 1 . . . . 35 . . . 5481 1 466 . 1 1 55 55 ILE CA C 13 61.5 0.1 . 1 . . . . 35 . . . 5481 1 467 . 1 1 55 55 ILE CB C 13 39.0 0.1 . 1 . . . . 35 . . . 5481 1 468 . 1 1 55 55 ILE CG1 C 13 26.4 0.1 . 1 . . . . 35 . . . 5481 1 469 . 1 1 55 55 ILE CG2 C 13 18.2 0.1 . 1 . . . . 35 . . . 5481 1 470 . 1 1 55 55 ILE CD1 C 13 14.5 0.1 . 1 . . . . 35 . . . 5481 1 471 . 1 1 55 55 ILE N N 15 109.2 0.1 . 1 . . . . 35 . . . 5481 1 472 . 1 1 56 56 GLY H H 1 7.99 0.01 . 1 . . . . 36 . . . 5481 1 473 . 1 1 56 56 GLY HA2 H 1 3.98 0.01 . 1 . . . . 36 . . . 5481 1 474 . 1 1 56 56 GLY HA3 H 1 4.11 0.01 . 1 . . . . 36 . . . 5481 1 475 . 1 1 56 56 GLY C C 13 174.4 0.1 . 1 . . . . 36 . . . 5481 1 476 . 1 1 56 56 GLY CA C 13 47.2 0.1 . 1 . . . . 36 . . . 5481 1 477 . 1 1 56 56 GLY N N 15 112.6 0.1 . 1 . . . . 36 . . . 5481 1 478 . 1 1 57 57 THR H H 1 7.62 0.01 . 1 . . . . 37 . . . 5481 1 479 . 1 1 57 57 THR HA H 1 4.67 0.01 . 1 . . . . 37 . . . 5481 1 480 . 1 1 57 57 THR HB H 1 3.93 0.01 . 1 . . . . 37 . . . 5481 1 481 . 1 1 57 57 THR HG21 H 1 1.24 0.01 . 1 . . . . 37 . . . 5481 1 482 . 1 1 57 57 THR HG22 H 1 1.24 0.01 . 1 . . . . 37 . . . 5481 1 483 . 1 1 57 57 THR HG23 H 1 1.24 0.01 . 1 . . . . 37 . . . 5481 1 484 . 1 1 57 57 THR C C 13 173.0 0.1 . 1 . . . . 37 . . . 5481 1 485 . 1 1 57 57 THR CA C 13 60.1 0.1 . 1 . . . . 37 . . . 5481 1 486 . 1 1 57 57 THR CB C 13 70.6 0.1 . 1 . . . . 37 . . . 5481 1 487 . 1 1 57 57 THR CG2 C 13 20.4 0.1 . 1 . . . . 37 . . . 5481 1 488 . 1 1 57 57 THR N N 15 114.9 0.1 . 1 . . . . 37 . . . 5481 1 489 . 1 1 58 58 GLN H H 1 8.56 0.01 . 1 . . . . 38 . . . 5481 1 490 . 1 1 58 58 GLN HA H 1 4.79 0.01 . 1 . . . . 38 . . . 5481 1 491 . 1 1 58 58 GLN HB2 H 1 1.89 0.01 . 2 . . . . 38 . . . 5481 1 492 . 1 1 58 58 GLN HB3 H 1 2.33 0.01 . 2 . . . . 38 . . . 5481 1 493 . 1 1 58 58 GLN HG2 H 1 2.50 0.01 . 1 . . . . 38 . . . 5481 1 494 . 1 1 58 58 GLN HG3 H 1 2.50 0.01 . 1 . . . . 38 . . . 5481 1 495 . 1 1 58 58 GLN HE21 H 1 6.91 0.01 . 2 . . . . 38 . . . 5481 1 496 . 1 1 58 58 GLN HE22 H 1 7.65 0.01 . 2 . . . . 38 . . . 5481 1 497 . 1 1 58 58 GLN CA C 13 53.7 0.1 . 1 . . . . 38 . . . 5481 1 498 . 1 1 58 58 GLN CB C 13 29.7 0.1 . 1 . . . . 38 . . . 5481 1 499 . 1 1 58 58 GLN CG C 13 34.1 0.1 . 1 . . . . 38 . . . 5481 1 500 . 1 1 58 58 GLN N N 15 122.5 0.1 . 1 . . . . 38 . . . 5481 1 501 . 1 1 58 58 GLN NE2 N 15 113.6 0.1 . 1 . . . . 38 . . . 5481 1 502 . 1 1 59 59 PRO HA H 1 4.11 0.01 . 1 . . . . 39 . . . 5481 1 503 . 1 1 59 59 PRO HB2 H 1 2.13 0.01 . 1 . . . . 39 . . . 5481 1 504 . 1 1 59 59 PRO HB3 H 1 2.13 0.01 . 1 . . . . 39 . . . 5481 1 505 . 1 1 59 59 PRO HG2 H 1 1.97 0.01 . 2 . . . . 39 . . . 5481 1 506 . 1 1 59 59 PRO HG3 H 1 2.20 0.01 . 2 . . . . 39 . . . 5481 1 507 . 1 1 59 59 PRO HD2 H 1 3.91 0.01 . 1 . . . . 39 . . . 5481 1 508 . 1 1 59 59 PRO HD3 H 1 3.91 0.01 . 1 . . . . 39 . . . 5481 1 509 . 1 1 59 59 PRO C C 13 176.6 0.1 . 1 . . . . 39 . . . 5481 1 510 . 1 1 59 59 PRO CA C 13 65.8 0.1 . 1 . . . . 39 . . . 5481 1 511 . 1 1 59 59 PRO CB C 13 31.9 0.1 . 1 . . . . 39 . . . 5481 1 512 . 1 1 59 59 PRO CG C 13 28.1 0.1 . 1 . . . . 39 . . . 5481 1 513 . 1 1 59 59 PRO CD C 13 50.5 0.1 . 1 . . . . 39 . . . 5481 1 514 . 1 1 60 60 ASN H H 1 8.17 0.01 . 1 . . . . 40 . . . 5481 1 515 . 1 1 60 60 ASN HA H 1 4.66 0.01 . 1 . . . . 40 . . . 5481 1 516 . 1 1 60 60 ASN HB2 H 1 2.87 0.01 . 2 . . . . 40 . . . 5481 1 517 . 1 1 60 60 ASN HB3 H 1 3.07 0.01 . 2 . . . . 40 . . . 5481 1 518 . 1 1 60 60 ASN C C 13 175.9 0.1 . 1 . . . . 40 . . . 5481 1 519 . 1 1 60 60 ASN CA C 13 54.1 0.1 . 1 . . . . 40 . . . 5481 1 520 . 1 1 60 60 ASN CB C 13 36.9 0.1 . 1 . . . . 40 . . . 5481 1 521 . 1 1 60 60 ASN N N 15 111.6 0.1 . 1 . . . . 40 . . . 5481 1 522 . 1 1 61 61 LYS H H 1 7.94 0.01 . 1 . . . . 41 . . . 5481 1 523 . 1 1 61 61 LYS HA H 1 4.56 0.01 . 1 . . . . 41 . . . 5481 1 524 . 1 1 61 61 LYS HB2 H 1 2.01 0.01 . 2 . . . . 41 . . . 5481 1 525 . 1 1 61 61 LYS HB3 H 1 2.36 0.01 . 2 . . . . 41 . . . 5481 1 526 . 1 1 61 61 LYS HG2 H 1 1.42 0.01 . 2 . . . . 41 . . . 5481 1 527 . 1 1 61 61 LYS HG3 H 1 1.57 0.01 . 2 . . . . 41 . . . 5481 1 528 . 1 1 61 61 LYS HD2 H 1 1.72 0.01 . 1 . . . . 41 . . . 5481 1 529 . 1 1 61 61 LYS HD3 H 1 1.72 0.01 . 1 . . . . 41 . . . 5481 1 530 . 1 1 61 61 LYS HE2 H 1 3.02 0.01 . 1 . . . . 41 . . . 5481 1 531 . 1 1 61 61 LYS HE3 H 1 3.02 0.01 . 1 . . . . 41 . . . 5481 1 532 . 1 1 61 61 LYS C C 13 175.1 0.1 . 1 . . . . 41 . . . 5481 1 533 . 1 1 61 61 LYS CA C 13 55.5 0.1 . 1 . . . . 41 . . . 5481 1 534 . 1 1 61 61 LYS CB C 13 32.9 0.1 . 1 . . . . 41 . . . 5481 1 535 . 1 1 61 61 LYS CG C 13 25.0 0.1 . 1 . . . . 41 . . . 5481 1 536 . 1 1 61 61 LYS CD C 13 28.8 0.1 . 1 . . . . 41 . . . 5481 1 537 . 1 1 61 61 LYS CE C 13 41.9 0.1 . 1 . . . . 41 . . . 5481 1 538 . 1 1 61 61 LYS N N 15 118.7 0.1 . 1 . . . . 41 . . . 5481 1 539 . 1 1 62 62 ILE H H 1 7.21 0.01 . 1 . . . . 42 . . . 5481 1 540 . 1 1 62 62 ILE HA H 1 4.70 0.01 . 1 . . . . 42 . . . 5481 1 541 . 1 1 62 62 ILE HB H 1 1.78 0.01 . 1 . . . . 42 . . . 5481 1 542 . 1 1 62 62 ILE HG12 H 1 1.02 0.01 . 2 . . . . 42 . . . 5481 1 543 . 1 1 62 62 ILE HG13 H 1 1.65 0.01 . 2 . . . . 42 . . . 5481 1 544 . 1 1 62 62 ILE HG21 H 1 0.76 0.01 . 1 . . . . 42 . . . 5481 1 545 . 1 1 62 62 ILE HG22 H 1 0.76 0.01 . 1 . . . . 42 . . . 5481 1 546 . 1 1 62 62 ILE HG23 H 1 0.76 0.01 . 1 . . . . 42 . . . 5481 1 547 . 1 1 62 62 ILE HD11 H 1 0.71 0.01 . 1 . . . . 42 . . . 5481 1 548 . 1 1 62 62 ILE HD12 H 1 0.71 0.01 . 1 . . . . 42 . . . 5481 1 549 . 1 1 62 62 ILE HD13 H 1 0.71 0.01 . 1 . . . . 42 . . . 5481 1 550 . 1 1 62 62 ILE C C 13 174.3 0.1 . 1 . . . . 42 . . . 5481 1 551 . 1 1 62 62 ILE CA C 13 60.6 0.1 . 1 . . . . 42 . . . 5481 1 552 . 1 1 62 62 ILE CB C 13 41.6 0.1 . 1 . . . . 42 . . . 5481 1 553 . 1 1 62 62 ILE CG1 C 13 26.4 0.1 . 1 . . . . 42 . . . 5481 1 554 . 1 1 62 62 ILE CG2 C 13 18.9 0.1 . 1 . . . . 42 . . . 5481 1 555 . 1 1 62 62 ILE CD1 C 13 14.4 0.1 . 1 . . . . 42 . . . 5481 1 556 . 1 1 62 62 ILE N N 15 114.9 0.1 . 1 . . . . 42 . . . 5481 1 557 . 1 1 63 63 VAL H H 1 8.75 0.01 . 1 . . . . 43 . . . 5481 1 558 . 1 1 63 63 VAL HA H 1 4.09 0.01 . 1 . . . . 43 . . . 5481 1 559 . 1 1 63 63 VAL HB H 1 1.72 0.01 . 1 . . . . 43 . . . 5481 1 560 . 1 1 63 63 VAL HG11 H 1 0.87 0.01 . 1 . . . . 43 . . . 5481 1 561 . 1 1 63 63 VAL HG12 H 1 0.87 0.01 . 1 . . . . 43 . . . 5481 1 562 . 1 1 63 63 VAL HG13 H 1 0.87 0.01 . 1 . . . . 43 . . . 5481 1 563 . 1 1 63 63 VAL HG21 H 1 0.87 0.01 . 1 . . . . 43 . . . 5481 1 564 . 1 1 63 63 VAL HG22 H 1 0.87 0.01 . 1 . . . . 43 . . . 5481 1 565 . 1 1 63 63 VAL HG23 H 1 0.87 0.01 . 1 . . . . 43 . . . 5481 1 566 . 1 1 63 63 VAL C C 13 174.3 0.1 . 1 . . . . 43 . . . 5481 1 567 . 1 1 63 63 VAL CA C 13 61.2 0.1 . 1 . . . . 43 . . . 5481 1 568 . 1 1 63 63 VAL CB C 13 34.9 0.1 . 1 . . . . 43 . . . 5481 1 569 . 1 1 63 63 VAL CG1 C 13 21.2 0.1 . 1 . . . . 43 . . . 5481 1 570 . 1 1 63 63 VAL CG2 C 13 21.2 0.1 . 1 . . . . 43 . . . 5481 1 571 . 1 1 63 63 VAL N N 15 125.4 0.1 . 1 . . . . 43 . . . 5481 1 572 . 1 1 64 64 LEU H H 1 8.43 0.01 . 1 . . . . 44 . . . 5481 1 573 . 1 1 64 64 LEU HA H 1 5.57 0.01 . 1 . . . . 44 . . . 5481 1 574 . 1 1 64 64 LEU HB2 H 1 1.22 0.01 . 1 . . . . 44 . . . 5481 1 575 . 1 1 64 64 LEU HB3 H 1 1.49 0.01 . 1 . . . . 44 . . . 5481 1 576 . 1 1 64 64 LEU HG H 1 1.51 0.01 . 1 . . . . 44 . . . 5481 1 577 . 1 1 64 64 LEU HD21 H 1 0.89 0.01 . 1 . . . . 44 . . . 5481 1 578 . 1 1 64 64 LEU HD22 H 1 0.89 0.01 . 1 . . . . 44 . . . 5481 1 579 . 1 1 64 64 LEU HD23 H 1 0.89 0.01 . 1 . . . . 44 . . . 5481 1 580 . 1 1 64 64 LEU HD11 H 1 0.97 0.01 . 1 . . . . 44 . . . 5481 1 581 . 1 1 64 64 LEU HD12 H 1 0.97 0.01 . 1 . . . . 44 . . . 5481 1 582 . 1 1 64 64 LEU HD13 H 1 0.97 0.01 . 1 . . . . 44 . . . 5481 1 583 . 1 1 64 64 LEU C C 13 175.5 0.1 . 1 . . . . 44 . . . 5481 1 584 . 1 1 64 64 LEU CA C 13 52.3 0.1 . 1 . . . . 44 . . . 5481 1 585 . 1 1 64 64 LEU CB C 13 46.6 0.1 . 1 . . . . 44 . . . 5481 1 586 . 1 1 64 64 LEU CG C 13 27.3 0.1 . 1 . . . . 44 . . . 5481 1 587 . 1 1 64 64 LEU CD2 C 13 24.2 0.1 . 1 . . . . 44 . . . 5481 1 588 . 1 1 64 64 LEU CD1 C 13 27.7 0.1 . 1 . . . . 44 . . . 5481 1 589 . 1 1 64 64 LEU N N 15 124.6 0.1 . 1 . . . . 44 . . . 5481 1 590 . 1 1 65 65 GLN H H 1 9.18 0.01 . 1 . . . . 45 . . . 5481 1 591 . 1 1 65 65 GLN HA H 1 5.27 0.01 . 1 . . . . 45 . . . 5481 1 592 . 1 1 65 65 GLN HB2 H 1 1.87 0.01 . 1 . . . . 45 . . . 5481 1 593 . 1 1 65 65 GLN HB3 H 1 1.87 0.01 . 1 . . . . 45 . . . 5481 1 594 . 1 1 65 65 GLN HG2 H 1 1.99 0.01 . 1 . . . . 45 . . . 5481 1 595 . 1 1 65 65 GLN HG3 H 1 1.99 0.01 . 1 . . . . 45 . . . 5481 1 596 . 1 1 65 65 GLN C C 13 174.2 0.1 . 1 . . . . 45 . . . 5481 1 597 . 1 1 65 65 GLN CA C 13 53.8 0.1 . 1 . . . . 45 . . . 5481 1 598 . 1 1 65 65 GLN CB C 13 33.8 0.1 . 1 . . . . 45 . . . 5481 1 599 . 1 1 65 65 GLN CG C 13 34.6 0.1 . 1 . . . . 45 . . . 5481 1 600 . 1 1 65 65 GLN N N 15 119.2 0.1 . 1 . . . . 45 . . . 5481 1 601 . 1 1 66 66 LYS H H 1 8.28 0.01 . 1 . . . . 46 . . . 5481 1 602 . 1 1 66 66 LYS HA H 1 4.75 0.01 . 1 . . . . 46 . . . 5481 1 603 . 1 1 66 66 LYS HB2 H 1 1.37 0.01 . 2 . . . . 46 . . . 5481 1 604 . 1 1 66 66 LYS HB3 H 1 1.72 0.01 . 2 . . . . 46 . . . 5481 1 605 . 1 1 66 66 LYS HG2 H 1 1.48 0.01 . 1 . . . . 46 . . . 5481 1 606 . 1 1 66 66 LYS HG3 H 1 1.58 0.01 . 1 . . . . 46 . . . 5481 1 607 . 1 1 66 66 LYS HD2 H 1 1.36 0.01 . 1 . . . . 46 . . . 5481 1 608 . 1 1 66 66 LYS HD3 H 1 1.36 0.01 . 1 . . . . 46 . . . 5481 1 609 . 1 1 66 66 LYS HE2 H 1 2.94 0.01 . 2 . . . . 46 . . . 5481 1 610 . 1 1 66 66 LYS HE3 H 1 3.03 0.01 . 2 . . . . 46 . . . 5481 1 611 . 1 1 66 66 LYS CA C 13 55.4 0.1 . 1 . . . . 46 . . . 5481 1 612 . 1 1 66 66 LYS CB C 13 36.3 0.1 . 1 . . . . 46 . . . 5481 1 613 . 1 1 66 66 LYS CG C 13 29.9 0.1 . 1 . . . . 46 . . . 5481 1 614 . 1 1 66 66 LYS CD C 13 25.2 0.1 . 1 . . . . 46 . . . 5481 1 615 . 1 1 66 66 LYS CE C 13 42.3 0.1 . 1 . . . . 46 . . . 5481 1 616 . 1 1 66 66 LYS N N 15 121.5 0.1 . 1 . . . . 46 . . . 5481 1 617 . 1 1 68 68 GLY HA2 H 1 3.81 0.01 . 2 . . . . 48 . . . 5481 1 618 . 1 1 68 68 GLY HA3 H 1 4.09 0.01 . 2 . . . . 48 . . . 5481 1 619 . 1 1 69 69 SER H H 1 7.67 0.01 . 1 . . . . 49 . . . 5481 1 620 . 1 1 69 69 SER HA H 1 4.72 0.01 . 1 . . . . 49 . . . 5481 1 621 . 1 1 69 69 SER HB2 H 1 3.81 0.01 . 1 . . . . 49 . . . 5481 1 622 . 1 1 69 69 SER HB3 H 1 3.81 0.01 . 1 . . . . 49 . . . 5481 1 623 . 1 1 69 69 SER C C 13 173.1 0.1 . 1 . . . . 49 . . . 5481 1 624 . 1 1 69 69 SER CA C 13 57.5 0.1 . 1 . . . . 49 . . . 5481 1 625 . 1 1 69 69 SER CB C 13 64.4 0.1 . 1 . . . . 49 . . . 5481 1 626 . 1 1 69 69 SER N N 15 116.4 0.1 . 1 . . . . 49 . . . 5481 1 627 . 1 1 70 70 VAL H H 1 8.61 0.01 . 1 . . . . 50 . . . 5481 1 628 . 1 1 70 70 VAL HA H 1 3.98 0.01 . 1 . . . . 50 . . . 5481 1 629 . 1 1 70 70 VAL HB H 1 1.93 0.01 . 1 . . . . 50 . . . 5481 1 630 . 1 1 70 70 VAL HG11 H 1 0.91 0.01 . 1 . . . . 50 . . . 5481 1 631 . 1 1 70 70 VAL HG12 H 1 0.91 0.01 . 1 . . . . 50 . . . 5481 1 632 . 1 1 70 70 VAL HG13 H 1 0.91 0.01 . 1 . . . . 50 . . . 5481 1 633 . 1 1 70 70 VAL HG21 H 1 0.91 0.01 . 1 . . . . 50 . . . 5481 1 634 . 1 1 70 70 VAL HG22 H 1 0.91 0.01 . 1 . . . . 50 . . . 5481 1 635 . 1 1 70 70 VAL HG23 H 1 0.91 0.01 . 1 . . . . 50 . . . 5481 1 636 . 1 1 70 70 VAL C C 13 176.0 0.1 . 1 . . . . 50 . . . 5481 1 637 . 1 1 70 70 VAL CA C 13 63.4 0.1 . 1 . . . . 50 . . . 5481 1 638 . 1 1 70 70 VAL CB C 13 32.2 0.1 . 1 . . . . 50 . . . 5481 1 639 . 1 1 70 70 VAL CG1 C 13 22.1 0.1 . 1 . . . . 50 . . . 5481 1 640 . 1 1 70 70 VAL CG2 C 13 22.1 0.1 . 1 . . . . 50 . . . 5481 1 641 . 1 1 70 70 VAL N N 15 126.5 0.1 . 1 . . . . 50 . . . 5481 1 642 . 1 1 71 71 LEU H H 1 8.34 0.01 . 1 . . . . 51 . . . 5481 1 643 . 1 1 71 71 LEU HA H 1 3.97 0.01 . 1 . . . . 51 . . . 5481 1 644 . 1 1 71 71 LEU HB2 H 1 1.14 0.01 . 2 . . . . 51 . . . 5481 1 645 . 1 1 71 71 LEU HB3 H 1 1.40 0.01 . 2 . . . . 51 . . . 5481 1 646 . 1 1 71 71 LEU HG H 1 1.06 0.01 . 1 . . . . 51 . . . 5481 1 647 . 1 1 71 71 LEU HD11 H 1 0.38 0.01 . 1 . . . . 51 . . . 5481 1 648 . 1 1 71 71 LEU HD12 H 1 0.38 0.01 . 1 . . . . 51 . . . 5481 1 649 . 1 1 71 71 LEU HD13 H 1 0.38 0.01 . 1 . . . . 51 . . . 5481 1 650 . 1 1 71 71 LEU HD21 H 1 -0.29 0.01 . 1 . . . . 51 . . . 5481 1 651 . 1 1 71 71 LEU HD22 H 1 -0.29 0.01 . 1 . . . . 51 . . . 5481 1 652 . 1 1 71 71 LEU HD23 H 1 -0.29 0.01 . 1 . . . . 51 . . . 5481 1 653 . 1 1 71 71 LEU C C 13 176.2 0.1 . 1 . . . . 51 . . . 5481 1 654 . 1 1 71 71 LEU CA C 13 54.6 0.1 . 1 . . . . 51 . . . 5481 1 655 . 1 1 71 71 LEU CB C 13 41.3 0.1 . 1 . . . . 51 . . . 5481 1 656 . 1 1 71 71 LEU CG C 13 26.6 0.1 . 1 . . . . 51 . . . 5481 1 657 . 1 1 71 71 LEU CD1 C 13 25.4 0.1 . 1 . . . . 51 . . . 5481 1 658 . 1 1 71 71 LEU CD2 C 13 19.8 0.1 . 1 . . . . 51 . . . 5481 1 659 . 1 1 71 71 LEU N N 15 128.0 0.1 . 1 . . . . 51 . . . 5481 1 660 . 1 1 72 72 LYS H H 1 8.74 0.01 . 1 . . . . 52 . . . 5481 1 661 . 1 1 72 72 LYS HA H 1 4.52 0.01 . 1 . . . . 52 . . . 5481 1 662 . 1 1 72 72 LYS HB2 H 1 1.84 0.01 . 2 . . . . 52 . . . 5481 1 663 . 1 1 72 72 LYS HB3 H 1 1.99 0.01 . 2 . . . . 52 . . . 5481 1 664 . 1 1 72 72 LYS HG2 H 1 1.57 0.01 . 2 . . . . 52 . . . 5481 1 665 . 1 1 72 72 LYS HG3 H 1 1.69 0.01 . 2 . . . . 52 . . . 5481 1 666 . 1 1 72 72 LYS HD2 H 1 1.79 0.01 . 2 . . . . 52 . . . 5481 1 667 . 1 1 72 72 LYS HD3 H 1 1.88 0.01 . 2 . . . . 52 . . . 5481 1 668 . 1 1 72 72 LYS HE2 H 1 3.14 0.01 . 1 . . . . 52 . . . 5481 1 669 . 1 1 72 72 LYS HE3 H 1 3.14 0.01 . 1 . . . . 52 . . . 5481 1 670 . 1 1 72 72 LYS C C 13 177.9 0.1 . 1 . . . . 52 . . . 5481 1 671 . 1 1 72 72 LYS CA C 13 55.8 0.1 . 1 . . . . 52 . . . 5481 1 672 . 1 1 72 72 LYS CB C 13 34.2 0.1 . 1 . . . . 52 . . . 5481 1 673 . 1 1 72 72 LYS CG C 13 25.4 0.1 . 1 . . . . 52 . . . 5481 1 674 . 1 1 72 72 LYS CD C 13 29.4 0.1 . 1 . . . . 52 . . . 5481 1 675 . 1 1 72 72 LYS CE C 13 42.5 0.1 . 1 . . . . 52 . . . 5481 1 676 . 1 1 72 72 LYS N N 15 123.6 0.1 . 1 . . . . 52 . . . 5481 1 677 . 1 1 73 73 ASP H H 1 8.25 0.01 . 1 . . . . 53 . . . 5481 1 678 . 1 1 73 73 ASP HA H 1 4.33 0.01 . 1 . . . . 53 . . . 5481 1 679 . 1 1 73 73 ASP HB2 H 1 2.62 0.01 . 2 . . . . 53 . . . 5481 1 680 . 1 1 73 73 ASP HB3 H 1 2.75 0.01 . 2 . . . . 53 . . . 5481 1 681 . 1 1 73 73 ASP C C 13 177.5 0.1 . 1 . . . . 53 . . . 5481 1 682 . 1 1 73 73 ASP CA C 13 57.1 0.1 . 1 . . . . 53 . . . 5481 1 683 . 1 1 73 73 ASP CB C 13 41.4 0.1 . 1 . . . . 53 . . . 5481 1 684 . 1 1 73 73 ASP N N 15 117.9 0.1 . 1 . . . . 53 . . . 5481 1 685 . 1 1 74 74 HIS H H 1 8.18 0.01 . 1 . . . . 54 . . . 5481 1 686 . 1 1 74 74 HIS HA H 1 4.75 0.01 . 1 . . . . 54 . . . 5481 1 687 . 1 1 74 74 HIS HB2 H 1 2.98 0.01 . 1 . . . . 54 . . . 5481 1 688 . 1 1 74 74 HIS HB3 H 1 3.42 0.01 . 1 . . . . 54 . . . 5481 1 689 . 1 1 74 74 HIS C C 13 174.3 0.1 . 1 . . . . 54 . . . 5481 1 690 . 1 1 74 74 HIS CA C 13 56.9 0.1 . 1 . . . . 54 . . . 5481 1 691 . 1 1 74 74 HIS CB C 13 30.2 0.1 . 1 . . . . 54 . . . 5481 1 692 . 1 1 74 74 HIS N N 15 113.4 0.1 . 1 . . . . 54 . . . 5481 1 693 . 1 1 75 75 ILE H H 1 7.03 0.01 . 1 . . . . 55 . . . 5481 1 694 . 1 1 75 75 ILE HA H 1 4.10 0.01 . 1 . . . . 55 . . . 5481 1 695 . 1 1 75 75 ILE HB H 1 1.71 0.01 . 1 . . . . 55 . . . 5481 1 696 . 1 1 75 75 ILE HG12 H 1 0.49 0.01 . 2 . . . . 55 . . . 5481 1 697 . 1 1 75 75 ILE HG13 H 1 0.61 0.01 . 2 . . . . 55 . . . 5481 1 698 . 1 1 75 75 ILE HG21 H 1 0.52 0.01 . 1 . . . . 55 . . . 5481 1 699 . 1 1 75 75 ILE HG22 H 1 0.52 0.01 . 1 . . . . 55 . . . 5481 1 700 . 1 1 75 75 ILE HG23 H 1 0.52 0.01 . 1 . . . . 55 . . . 5481 1 701 . 1 1 75 75 ILE HD11 H 1 0.60 0.01 . 1 . . . . 55 . . . 5481 1 702 . 1 1 75 75 ILE HD12 H 1 0.60 0.01 . 1 . . . . 55 . . . 5481 1 703 . 1 1 75 75 ILE HD13 H 1 0.60 0.01 . 1 . . . . 55 . . . 5481 1 704 . 1 1 75 75 ILE C C 13 174.5 0.1 . 1 . . . . 55 . . . 5481 1 705 . 1 1 75 75 ILE CA C 13 59.6 0.1 . 1 . . . . 55 . . . 5481 1 706 . 1 1 75 75 ILE CB C 13 38.2 0.1 . 1 . . . . 55 . . . 5481 1 707 . 1 1 75 75 ILE CG1 C 13 28.1 0.1 . 1 . . . . 55 . . . 5481 1 708 . 1 1 75 75 ILE CG2 C 13 17.7 0.1 . 1 . . . . 55 . . . 5481 1 709 . 1 1 75 75 ILE CD1 C 13 11.6 0.1 . 1 . . . . 55 . . . 5481 1 710 . 1 1 75 75 ILE N N 15 126.4 0.1 . 1 . . . . 55 . . . 5481 1 711 . 1 1 76 76 SER H H 1 8.65 0.01 . 1 . . . . 56 . . . 5481 1 712 . 1 1 76 76 SER HA H 1 4.70 0.01 . 1 . . . . 56 . . . 5481 1 713 . 1 1 76 76 SER HB2 H 1 3.93 0.01 . 2 . . . . 56 . . . 5481 1 714 . 1 1 76 76 SER HB3 H 1 4.05 0.01 . 2 . . . . 56 . . . 5481 1 715 . 1 1 76 76 SER C C 13 175.0 0.1 . 1 . . . . 56 . . . 5481 1 716 . 1 1 76 76 SER CA C 13 57.8 0.1 . 1 . . . . 56 . . . 5481 1 717 . 1 1 76 76 SER CB C 13 65.2 0.1 . 1 . . . . 56 . . . 5481 1 718 . 1 1 76 76 SER N N 15 121.8 0.1 . 1 . . . . 56 . . . 5481 1 719 . 1 1 77 77 LEU H H 1 8.70 0.01 . 1 . . . . 57 . . . 5481 1 720 . 1 1 77 77 LEU HA H 1 3.87 0.01 . 1 . . . . 57 . . . 5481 1 721 . 1 1 77 77 LEU HB2 H 1 1.15 0.01 . 2 . . . . 57 . . . 5481 1 722 . 1 1 77 77 LEU HB3 H 1 2.18 0.01 . 2 . . . . 57 . . . 5481 1 723 . 1 1 77 77 LEU HG H 1 1.65 0.01 . 1 . . . . 57 . . . 5481 1 724 . 1 1 77 77 LEU HD11 H 1 0.78 0.01 . 1 . . . . 57 . . . 5481 1 725 . 1 1 77 77 LEU HD12 H 1 0.78 0.01 . 1 . . . . 57 . . . 5481 1 726 . 1 1 77 77 LEU HD13 H 1 0.78 0.01 . 1 . . . . 57 . . . 5481 1 727 . 1 1 77 77 LEU HD21 H 1 0.37 0.01 . 1 . . . . 57 . . . 5481 1 728 . 1 1 77 77 LEU HD22 H 1 0.37 0.01 . 1 . . . . 57 . . . 5481 1 729 . 1 1 77 77 LEU HD23 H 1 0.37 0.01 . 1 . . . . 57 . . . 5481 1 730 . 1 1 77 77 LEU C C 13 180.4 0.1 . 1 . . . . 57 . . . 5481 1 731 . 1 1 77 77 LEU CA C 13 59.0 0.1 . 1 . . . . 57 . . . 5481 1 732 . 1 1 77 77 LEU CB C 13 40.3 0.1 . 1 . . . . 57 . . . 5481 1 733 . 1 1 77 77 LEU CG C 13 27.3 0.1 . 1 . . . . 57 . . . 5481 1 734 . 1 1 77 77 LEU CD1 C 13 27.0 0.1 . 1 . . . . 57 . . . 5481 1 735 . 1 1 77 77 LEU CD2 C 13 23.0 0.1 . 1 . . . . 57 . . . 5481 1 736 . 1 1 77 77 LEU N N 15 122.1 0.1 . 1 . . . . 57 . . . 5481 1 737 . 1 1 78 78 GLU H H 1 8.40 0.01 . 1 . . . . 58 . . . 5481 1 738 . 1 1 78 78 GLU HA H 1 4.06 0.01 . 1 . . . . 58 . . . 5481 1 739 . 1 1 78 78 GLU HB2 H 1 1.89 0.01 . 2 . . . . 58 . . . 5481 1 740 . 1 1 78 78 GLU HB3 H 1 1.98 0.01 . 2 . . . . 58 . . . 5481 1 741 . 1 1 78 78 GLU HG2 H 1 2.21 0.01 . 1 . . . . 58 . . . 5481 1 742 . 1 1 78 78 GLU HG3 H 1 2.21 0.01 . 1 . . . . 58 . . . 5481 1 743 . 1 1 78 78 GLU C C 13 180.1 0.1 . 1 . . . . 58 . . . 5481 1 744 . 1 1 78 78 GLU CA C 13 59.1 0.1 . 1 . . . . 58 . . . 5481 1 745 . 1 1 78 78 GLU CB C 13 29.4 0.1 . 1 . . . . 58 . . . 5481 1 746 . 1 1 78 78 GLU CG C 13 35.2 0.1 . 1 . . . . 58 . . . 5481 1 747 . 1 1 78 78 GLU N N 15 118.2 0.1 . 1 . . . . 58 . . . 5481 1 748 . 1 1 79 79 ASP H H 1 7.97 0.01 . 1 . . . . 59 . . . 5481 1 749 . 1 1 79 79 ASP HA H 1 4.46 0.01 . 1 . . . . 59 . . . 5481 1 750 . 1 1 79 79 ASP HB2 H 1 2.31 0.01 . 2 . . . . 59 . . . 5481 1 751 . 1 1 79 79 ASP HB3 H 1 2.72 0.01 . 2 . . . . 59 . . . 5481 1 752 . 1 1 79 79 ASP C C 13 178.0 0.1 . 1 . . . . 59 . . . 5481 1 753 . 1 1 79 79 ASP CA C 13 56.9 0.1 . 1 . . . . 59 . . . 5481 1 754 . 1 1 79 79 ASP CB C 13 39.8 0.1 . 1 . . . . 59 . . . 5481 1 755 . 1 1 79 79 ASP N N 15 124.4 0.1 . 1 . . . . 59 . . . 5481 1 756 . 1 1 80 80 TYR H H 1 7.53 0.01 . 1 . . . . 60 . . . 5481 1 757 . 1 1 80 80 TYR HA H 1 4.75 0.01 . 1 . . . . 60 . . . 5481 1 758 . 1 1 80 80 TYR HB2 H 1 2.63 0.01 . 2 . . . . 60 . . . 5481 1 759 . 1 1 80 80 TYR HB3 H 1 3.31 0.01 . 2 . . . . 60 . . . 5481 1 760 . 1 1 80 80 TYR HD1 H 1 6.97 0.01 . 3 . . . . 60 . . . 5481 1 761 . 1 1 80 80 TYR HE1 H 1 6.98 0.01 . 3 . . . . 60 . . . 5481 1 762 . 1 1 80 80 TYR C C 13 174.2 0.1 . 1 . . . . 60 . . . 5481 1 763 . 1 1 80 80 TYR CA C 13 58.5 0.1 . 1 . . . . 60 . . . 5481 1 764 . 1 1 80 80 TYR CB C 13 39.3 0.1 . 1 . . . . 60 . . . 5481 1 765 . 1 1 80 80 TYR CD1 C 13 132.6 0.1 . 3 . . . . 60 . . . 5481 1 766 . 1 1 80 80 TYR CE1 C 13 118.6 0.1 . 3 . . . . 60 . . . 5481 1 767 . 1 1 80 80 TYR N N 15 119.7 0.1 . 1 . . . . 60 . . . 5481 1 768 . 1 1 81 81 GLU H H 1 8.10 0.01 . 1 . . . . 61 . . . 5481 1 769 . 1 1 81 81 GLU HA H 1 3.62 0.01 . 1 . . . . 61 . . . 5481 1 770 . 1 1 81 81 GLU HB2 H 1 2.19 0.01 . 1 . . . . 61 . . . 5481 1 771 . 1 1 81 81 GLU HB3 H 1 2.19 0.01 . 1 . . . . 61 . . . 5481 1 772 . 1 1 81 81 GLU HG2 H 1 2.20 0.01 . 1 . . . . 61 . . . 5481 1 773 . 1 1 81 81 GLU HG3 H 1 2.20 0.01 . 1 . . . . 61 . . . 5481 1 774 . 1 1 81 81 GLU C C 13 174.4 0.1 . 1 . . . . 61 . . . 5481 1 775 . 1 1 81 81 GLU CA C 13 57.1 0.1 . 1 . . . . 61 . . . 5481 1 776 . 1 1 81 81 GLU CB C 13 26.7 0.1 . 1 . . . . 61 . . . 5481 1 777 . 1 1 81 81 GLU CG C 13 37.0 0.1 . 1 . . . . 61 . . . 5481 1 778 . 1 1 81 81 GLU N N 15 115.1 0.1 . 1 . . . . 61 . . . 5481 1 779 . 1 1 82 82 VAL H H 1 7.50 0.01 . 1 . . . . 62 . . . 5481 1 780 . 1 1 82 82 VAL HA H 1 3.66 0.01 . 1 . . . . 62 . . . 5481 1 781 . 1 1 82 82 VAL HB H 1 1.80 0.01 . 1 . . . . 62 . . . 5481 1 782 . 1 1 82 82 VAL HG11 H 1 0.60 0.01 . 2 . . . . 62 . . . 5481 1 783 . 1 1 82 82 VAL HG12 H 1 0.60 0.01 . 2 . . . . 62 . . . 5481 1 784 . 1 1 82 82 VAL HG13 H 1 0.60 0.01 . 2 . . . . 62 . . . 5481 1 785 . 1 1 82 82 VAL HG21 H 1 0.65 0.01 . 2 . . . . 62 . . . 5481 1 786 . 1 1 82 82 VAL HG22 H 1 0.65 0.01 . 2 . . . . 62 . . . 5481 1 787 . 1 1 82 82 VAL HG23 H 1 0.65 0.01 . 2 . . . . 62 . . . 5481 1 788 . 1 1 82 82 VAL C C 13 172.9 0.1 . 1 . . . . 62 . . . 5481 1 789 . 1 1 82 82 VAL CA C 13 62.6 0.1 . 1 . . . . 62 . . . 5481 1 790 . 1 1 82 82 VAL CB C 13 30.2 0.1 . 1 . . . . 62 . . . 5481 1 791 . 1 1 82 82 VAL CG1 C 13 22.2 0.1 . 2 . . . . 62 . . . 5481 1 792 . 1 1 82 82 VAL CG2 C 13 21.7 0.1 . 2 . . . . 62 . . . 5481 1 793 . 1 1 82 82 VAL N N 15 119.8 0.1 . 1 . . . . 62 . . . 5481 1 794 . 1 1 83 83 HIS H H 1 7.98 0.01 . 1 . . . . 63 . . . 5481 1 795 . 1 1 83 83 HIS HA H 1 4.80 0.01 . 1 . . . . 63 . . . 5481 1 796 . 1 1 83 83 HIS HB2 H 1 2.99 0.01 . 2 . . . . 63 . . . 5481 1 797 . 1 1 83 83 HIS HB3 H 1 3.27 0.01 . 2 . . . . 63 . . . 5481 1 798 . 1 1 83 83 HIS C C 13 174.4 0.1 . 1 . . . . 63 . . . 5481 1 799 . 1 1 83 83 HIS CA C 13 53.3 0.1 . 1 . . . . 63 . . . 5481 1 800 . 1 1 83 83 HIS CB C 13 33.0 0.1 . 1 . . . . 63 . . . 5481 1 801 . 1 1 83 83 HIS N N 15 124.7 0.1 . 1 . . . . 63 . . . 5481 1 802 . 1 1 84 84 ASP H H 1 8.72 0.01 . 1 . . . . 64 . . . 5481 1 803 . 1 1 84 84 ASP HA H 1 4.57 0.01 . 1 . . . . 64 . . . 5481 1 804 . 1 1 84 84 ASP HB2 H 1 2.71 0.01 . 2 . . . . 64 . . . 5481 1 805 . 1 1 84 84 ASP HB3 H 1 2.83 0.01 . 2 . . . . 64 . . . 5481 1 806 . 1 1 84 84 ASP C C 13 177.5 0.1 . 1 . . . . 64 . . . 5481 1 807 . 1 1 84 84 ASP CA C 13 57.8 0.1 . 1 . . . . 64 . . . 5481 1 808 . 1 1 84 84 ASP CB C 13 42.2 0.1 . 1 . . . . 64 . . . 5481 1 809 . 1 1 84 84 ASP N N 15 119.8 0.1 . 1 . . . . 64 . . . 5481 1 810 . 1 1 85 85 GLN H H 1 9.84 0.01 . 1 . . . . 65 . . . 5481 1 811 . 1 1 85 85 GLN HA H 1 3.64 0.01 . 1 . . . . 65 . . . 5481 1 812 . 1 1 85 85 GLN HB2 H 1 2.40 0.01 . 2 . . . . 65 . . . 5481 1 813 . 1 1 85 85 GLN HB3 H 1 2.51 0.01 . 2 . . . . 65 . . . 5481 1 814 . 1 1 85 85 GLN HG2 H 1 2.29 0.01 . 1 . . . . 65 . . . 5481 1 815 . 1 1 85 85 GLN HG3 H 1 2.29 0.01 . 1 . . . . 65 . . . 5481 1 816 . 1 1 85 85 GLN HE21 H 1 7.38 0.01 . 2 . . . . 65 . . . 5481 1 817 . 1 1 85 85 GLN HE22 H 1 7.61 0.01 . 2 . . . . 65 . . . 5481 1 818 . 1 1 85 85 GLN C C 13 175.7 0.1 . 1 . . . . 65 . . . 5481 1 819 . 1 1 85 85 GLN CA C 13 57.3 0.1 . 1 . . . . 65 . . . 5481 1 820 . 1 1 85 85 GLN CB C 13 26.0 0.1 . 1 . . . . 65 . . . 5481 1 821 . 1 1 85 85 GLN CG C 13 33.7 0.1 . 1 . . . . 65 . . . 5481 1 822 . 1 1 85 85 GLN N N 15 118.0 0.1 . 1 . . . . 65 . . . 5481 1 823 . 1 1 85 85 GLN NE2 N 15 116.6 0.1 . 1 . . . . 65 . . . 5481 1 824 . 1 1 86 86 THR H H 1 8.32 0.01 . 1 . . . . 66 . . . 5481 1 825 . 1 1 86 86 THR HA H 1 4.21 0.01 . 1 . . . . 66 . . . 5481 1 826 . 1 1 86 86 THR HB H 1 4.18 0.01 . 1 . . . . 66 . . . 5481 1 827 . 1 1 86 86 THR HG21 H 1 1.26 0.01 . 1 . . . . 66 . . . 5481 1 828 . 1 1 86 86 THR HG22 H 1 1.26 0.01 . 1 . . . . 66 . . . 5481 1 829 . 1 1 86 86 THR HG23 H 1 1.26 0.01 . 1 . . . . 66 . . . 5481 1 830 . 1 1 86 86 THR C C 13 172.3 0.1 . 1 . . . . 66 . . . 5481 1 831 . 1 1 86 86 THR CA C 13 65.4 0.1 . 1 . . . . 66 . . . 5481 1 832 . 1 1 86 86 THR CB C 13 69.0 0.1 . 1 . . . . 66 . . . 5481 1 833 . 1 1 86 86 THR CG2 C 13 23.7 0.1 . 1 . . . . 66 . . . 5481 1 834 . 1 1 86 86 THR N N 15 119.5 0.1 . 1 . . . . 66 . . . 5481 1 835 . 1 1 87 87 ASN H H 1 8.59 0.01 . 1 . . . . 67 . . . 5481 1 836 . 1 1 87 87 ASN HA H 1 5.86 0.01 . 1 . . . . 67 . . . 5481 1 837 . 1 1 87 87 ASN HB2 H 1 2.46 0.01 . 2 . . . . 67 . . . 5481 1 838 . 1 1 87 87 ASN HB3 H 1 2.80 0.01 . 2 . . . . 67 . . . 5481 1 839 . 1 1 87 87 ASN HD21 H 1 7.02 0.01 . 2 . . . . 67 . . . 5481 1 840 . 1 1 87 87 ASN HD22 H 1 7.26 0.01 . 2 . . . . 67 . . . 5481 1 841 . 1 1 87 87 ASN C C 13 174.7 0.1 . 1 . . . . 67 . . . 5481 1 842 . 1 1 87 87 ASN CA C 13 52.3 0.1 . 1 . . . . 67 . . . 5481 1 843 . 1 1 87 87 ASN CB C 13 41.0 0.1 . 1 . . . . 67 . . . 5481 1 844 . 1 1 87 87 ASN N N 15 122.8 0.1 . 1 . . . . 67 . . . 5481 1 845 . 1 1 87 87 ASN ND2 N 15 112.3 0.1 . 1 . . . . 67 . . . 5481 1 846 . 1 1 88 88 LEU H H 1 9.20 0.01 . 1 . . . . 68 . . . 5481 1 847 . 1 1 88 88 LEU HA H 1 4.92 0.01 . 1 . . . . 68 . . . 5481 1 848 . 1 1 88 88 LEU HB2 H 1 1.39 0.01 . 2 . . . . 68 . . . 5481 1 849 . 1 1 88 88 LEU HB3 H 1 1.57 0.01 . 2 . . . . 68 . . . 5481 1 850 . 1 1 88 88 LEU HG H 1 1.40 0.01 . 1 . . . . 68 . . . 5481 1 851 . 1 1 88 88 LEU HD21 H 1 0.77 0.01 . 1 . . . . 68 . . . 5481 1 852 . 1 1 88 88 LEU HD22 H 1 0.77 0.01 . 1 . . . . 68 . . . 5481 1 853 . 1 1 88 88 LEU HD23 H 1 0.77 0.01 . 1 . . . . 68 . . . 5481 1 854 . 1 1 88 88 LEU HD11 H 1 0.47 0.01 . 1 . . . . 68 . . . 5481 1 855 . 1 1 88 88 LEU HD12 H 1 0.47 0.01 . 1 . . . . 68 . . . 5481 1 856 . 1 1 88 88 LEU HD13 H 1 0.47 0.01 . 1 . . . . 68 . . . 5481 1 857 . 1 1 88 88 LEU C C 13 175.6 0.1 . 1 . . . . 68 . . . 5481 1 858 . 1 1 88 88 LEU CA C 13 52.9 0.1 . 1 . . . . 68 . . . 5481 1 859 . 1 1 88 88 LEU CB C 13 46.3 0.1 . 1 . . . . 68 . . . 5481 1 860 . 1 1 88 88 LEU CG C 13 26.6 0.1 . 1 . . . . 68 . . . 5481 1 861 . 1 1 88 88 LEU CD2 C 13 23.6 0.1 . 1 . . . . 68 . . . 5481 1 862 . 1 1 88 88 LEU CD1 C 13 26.6 0.1 . 1 . . . . 68 . . . 5481 1 863 . 1 1 88 88 LEU N N 15 122.0 0.1 . 1 . . . . 68 . . . 5481 1 864 . 1 1 89 89 GLU H H 1 8.74 0.01 . 1 . . . . 69 . . . 5481 1 865 . 1 1 89 89 GLU HA H 1 4.95 0.01 . 1 . . . . 69 . . . 5481 1 866 . 1 1 89 89 GLU HB2 H 1 1.98 0.01 . 1 . . . . 69 . . . 5481 1 867 . 1 1 89 89 GLU HB3 H 1 1.98 0.01 . 1 . . . . 69 . . . 5481 1 868 . 1 1 89 89 GLU HG2 H 1 2.30 0.01 . 1 . . . . 69 . . . 5481 1 869 . 1 1 89 89 GLU HG3 H 1 2.30 0.01 . 1 . . . . 69 . . . 5481 1 870 . 1 1 89 89 GLU C C 13 174.1 0.1 . 1 . . . . 69 . . . 5481 1 871 . 1 1 89 89 GLU CA C 13 55.6 0.1 . 1 . . . . 69 . . . 5481 1 872 . 1 1 89 89 GLU CB C 13 32.4 0.1 . 1 . . . . 69 . . . 5481 1 873 . 1 1 89 89 GLU CG C 13 36.6 0.1 . 1 . . . . 69 . . . 5481 1 874 . 1 1 89 89 GLU N N 15 121.0 0.1 . 1 . . . . 69 . . . 5481 1 875 . 1 1 90 90 LEU H H 1 8.14 0.01 . 1 . . . . 70 . . . 5481 1 876 . 1 1 90 90 LEU HA H 1 5.05 0.01 . 1 . . . . 70 . . . 5481 1 877 . 1 1 90 90 LEU HB2 H 1 1.06 0.01 . 2 . . . . 70 . . . 5481 1 878 . 1 1 90 90 LEU HB3 H 1 1.25 0.01 . 2 . . . . 70 . . . 5481 1 879 . 1 1 90 90 LEU HG H 1 1.00 0.01 . 1 . . . . 70 . . . 5481 1 880 . 1 1 90 90 LEU HD11 H 1 0.66 0.01 . 1 . . . . 70 . . . 5481 1 881 . 1 1 90 90 LEU HD12 H 1 0.66 0.01 . 1 . . . . 70 . . . 5481 1 882 . 1 1 90 90 LEU HD13 H 1 0.66 0.01 . 1 . . . . 70 . . . 5481 1 883 . 1 1 90 90 LEU HD21 H 1 0.58 0.01 . 1 . . . . 70 . . . 5481 1 884 . 1 1 90 90 LEU HD22 H 1 0.58 0.01 . 1 . . . . 70 . . . 5481 1 885 . 1 1 90 90 LEU HD23 H 1 0.58 0.01 . 1 . . . . 70 . . . 5481 1 886 . 1 1 90 90 LEU C C 13 174.4 0.1 . 1 . . . . 70 . . . 5481 1 887 . 1 1 90 90 LEU CA C 13 53.6 0.1 . 1 . . . . 70 . . . 5481 1 888 . 1 1 90 90 LEU CB C 13 45.7 0.1 . 1 . . . . 70 . . . 5481 1 889 . 1 1 90 90 LEU CG C 13 27.3 0.1 . 1 . . . . 70 . . . 5481 1 890 . 1 1 90 90 LEU CD1 C 13 25.5 0.1 . 1 . . . . 70 . . . 5481 1 891 . 1 1 90 90 LEU CD2 C 13 26.4 0.1 . 1 . . . . 70 . . . 5481 1 892 . 1 1 90 90 LEU N N 15 124.6 0.1 . 1 . . . . 70 . . . 5481 1 893 . 1 1 91 91 TYR H H 1 8.94 0.01 . 1 . . . . 71 . . . 5481 1 894 . 1 1 91 91 TYR HA H 1 4.47 0.01 . 1 . . . . 71 . . . 5481 1 895 . 1 1 91 91 TYR HB2 H 1 2.63 0.01 . 2 . . . . 71 . . . 5481 1 896 . 1 1 91 91 TYR HB3 H 1 3.03 0.01 . 2 . . . . 71 . . . 5481 1 897 . 1 1 91 91 TYR HD1 H 1 6.93 0.01 . 3 . . . . 71 . . . 5481 1 898 . 1 1 91 91 TYR HE1 H 1 6.58 0.01 . 3 . . . . 71 . . . 5481 1 899 . 1 1 91 91 TYR C C 13 172.8 0.1 . 1 . . . . 71 . . . 5481 1 900 . 1 1 91 91 TYR CA C 13 56.8 0.1 . 1 . . . . 71 . . . 5481 1 901 . 1 1 91 91 TYR CB C 13 40.9 0.1 . 1 . . . . 71 . . . 5481 1 902 . 1 1 91 91 TYR CD1 C 13 132.9 0.1 . 3 . . . . 71 . . . 5481 1 903 . 1 1 91 91 TYR CE1 C 13 117.8 0.1 . 3 . . . . 71 . . . 5481 1 904 . 1 1 91 91 TYR N N 15 125.2 0.1 . 1 . . . . 71 . . . 5481 1 905 . 1 1 92 92 TYR H H 1 8.52 0.01 . 1 . . . . 72 . . . 5481 1 906 . 1 1 92 92 TYR HA H 1 5.17 0.01 . 1 . . . . 72 . . . 5481 1 907 . 1 1 92 92 TYR HB2 H 1 2.82 0.01 . 2 . . . . 72 . . . 5481 1 908 . 1 1 92 92 TYR HB3 H 1 3.27 0.01 . 2 . . . . 72 . . . 5481 1 909 . 1 1 92 92 TYR HD1 H 1 7.19 0.01 . 3 . . . . 72 . . . 5481 1 910 . 1 1 92 92 TYR HE1 H 1 6.75 0.01 . 3 . . . . 72 . . . 5481 1 911 . 1 1 92 92 TYR C C 13 176.2 0.1 . 1 . . . . 72 . . . 5481 1 912 . 1 1 92 92 TYR CA C 13 57.2 0.1 . 1 . . . . 72 . . . 5481 1 913 . 1 1 92 92 TYR CB C 13 40.1 0.1 . 1 . . . . 72 . . . 5481 1 914 . 1 1 92 92 TYR CD1 C 13 133.2 0.1 . 3 . . . . 72 . . . 5481 1 915 . 1 1 92 92 TYR CE1 C 13 117.7 0.1 . 3 . . . . 72 . . . 5481 1 916 . 1 1 92 92 TYR N N 15 120.1 0.1 . 1 . . . . 72 . . . 5481 1 917 . 1 1 93 93 LEU H H 1 8.31 0.01 . 1 . . . . 73 . . . 5481 1 918 . 1 1 93 93 LEU HA H 1 4.29 0.01 . 1 . . . . 73 . . . 5481 1 919 . 1 1 93 93 LEU HB2 H 1 1.51 0.01 . 1 . . . . 73 . . . 5481 1 920 . 1 1 93 93 LEU HB3 H 1 1.66 0.01 . 1 . . . . 73 . . . 5481 1 921 . 1 1 93 93 LEU HG H 1 1.43 0.01 . 1 . . . . 73 . . . 5481 1 922 . 1 1 93 93 LEU HD11 H 1 0.87 0.01 . 1 . . . . 73 . . . 5481 1 923 . 1 1 93 93 LEU HD12 H 1 0.87 0.01 . 1 . . . . 73 . . . 5481 1 924 . 1 1 93 93 LEU HD13 H 1 0.87 0.01 . 1 . . . . 73 . . . 5481 1 925 . 1 1 93 93 LEU HD21 H 1 0.87 0.01 . 1 . . . . 73 . . . 5481 1 926 . 1 1 93 93 LEU HD22 H 1 0.87 0.01 . 1 . . . . 73 . . . 5481 1 927 . 1 1 93 93 LEU HD23 H 1 0.87 0.01 . 1 . . . . 73 . . . 5481 1 928 . 1 1 93 93 LEU CA C 13 56.3 0.1 . 1 . . . . 73 . . . 5481 1 929 . 1 1 93 93 LEU CB C 13 43.8 0.1 . 1 . . . . 73 . . . 5481 1 930 . 1 1 93 93 LEU CG C 13 27.4 0.1 . 1 . . . . 73 . . . 5481 1 931 . 1 1 93 93 LEU CD1 C 13 25.4 0.1 . 1 . . . . 73 . . . 5481 1 932 . 1 1 93 93 LEU CD2 C 13 25.4 0.1 . 1 . . . . 73 . . . 5481 1 933 . 1 1 93 93 LEU N N 15 129.8 0.1 . 1 . . . . 73 . . . 5481 1 stop_ save_