data_17388 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17388 _Entry.Title ; Solution Structure of the Zinc Finger Domain of USP13 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-12-28 _Entry.Accession_date 2010-12-28 _Entry.Last_release_date 2011-12-14 _Entry.Original_release_date 2011-12-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Yuhang Zhang . . . 17388 2 Chenjie Zhou . . . 17388 3 Ziren Zhou . . . 17388 4 Aixin Song . . . 17388 5 Hongyu Hu . . . 17388 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17388 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Ubiquitin binding' . 17388 USP13 . 17388 'Zinc finger' . 17388 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17388 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 408 17388 '15N chemical shifts' 97 17388 '1H chemical shifts' 658 17388 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 . . 2011-12-14 2010-12-28 original author . 17388 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L80 'BMRB Entry Tracking System' 17388 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17388 _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 'Biochemical Characterization of the Ubiquitin Receptors in USP13 Reveals Different Catalytic Activation of Deubiquitination from Its Analogue USP5' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 . 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 Yuhang Zhang . . . 17388 1 2 Aixin Song . . . 17388 1 3 Chenjie Zhou . . . 17388 1 4 Ziren Zhou . . . 17388 1 5 Hongyu Hu . . . 17388 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17388 _Assembly.ID 1 _Assembly.Name USP13 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 USP13 1 $entity A . yes native no no . . . 17388 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17388 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VSKYANNLTQLDNGVRIPPS GWKCARCDLRENLWLNLTDG SVLCGKWFFDSSGGNGHALE HYRDMGYPLAVKLGTITPDG ADVYSFQEEEPVLDPHLAKH LAHFGIDMLHMHGT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12696.393 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L80 . "Solution Structure Of The Zinc Finger Domain Of Usp13" . . . . . 100.00 116 100.00 100.00 7.98e-79 . . . . 17388 1 2 no DBJ BAF83027 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 863 99.12 100.00 9.05e-74 . . . . 17388 1 3 no DBJ BAG63715 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 798 100.00 100.00 1.57e-74 . . . . 17388 1 4 no EMBL CAL38193 . "hypothetical protein [synthetic construct]" . . . . . 100.00 863 100.00 100.00 5.73e-74 . . . . 17388 1 5 no EMBL CAL38270 . "hypothetical protein [synthetic construct]" . . . . . 99.12 863 100.00 100.00 3.15e-73 . . . . 17388 1 6 no EMBL CAL38486 . "hypothetical protein [synthetic construct]" . . . . . 100.00 863 100.00 100.00 6.47e-74 . . . . 17388 1 7 no EMBL CAL38655 . "hypothetical protein [synthetic construct]" . . . . . 100.00 863 100.00 100.00 6.88e-74 . . . . 17388 1 8 no GB AAC63405 . "isopeptidase T-3 [Homo sapiens]" . . . . . 100.00 863 100.00 100.00 5.56e-74 . . . . 17388 1 9 no GB AAH16146 . "Ubiquitin specific peptidase 13 (isopeptidase T-3) [Homo sapiens]" . . . . . 100.00 863 100.00 100.00 6.09e-74 . . . . 17388 1 10 no GB ABM83398 . "ubiquitin specific peptidase 13 (isopeptidase T-3) [synthetic construct]" . . . . . 100.00 863 100.00 100.00 6.09e-74 . . . . 17388 1 11 no GB ABM86610 . "ubiquitin specific peptidase 13 (isopeptidase T-3) [synthetic construct]" . . . . . 100.00 863 100.00 100.00 6.09e-74 . . . . 17388 1 12 no GB ADM34989 . "ubiquitin specific protease 13 [Homo sapiens]" . . . . . 100.00 863 100.00 100.00 6.09e-74 . . . . 17388 1 13 no REF NP_001178195 . "ubiquitin carboxyl-terminal hydrolase 13 [Bos taurus]" . . . . . 100.00 863 98.25 98.25 5.04e-72 . . . . 17388 1 14 no REF NP_001252567 . "ubiquitin carboxyl-terminal hydrolase 13 [Macaca mulatta]" . . . . . 100.00 863 100.00 100.00 7.31e-74 . . . . 17388 1 15 no REF NP_003931 . "ubiquitin carboxyl-terminal hydrolase 13 [Homo sapiens]" . . . . . 100.00 863 100.00 100.00 6.09e-74 . . . . 17388 1 16 no REF XP_002912504 . "PREDICTED: ubiquitin carboxyl-terminal hydrolase 13 isoform X1 [Ailuropoda melanoleuca]" . . . . . 100.00 854 99.12 100.00 2.01e-73 . . . . 17388 1 17 no REF XP_003310172 . "PREDICTED: ubiquitin carboxyl-terminal hydrolase 13 isoform X1 [Pan troglodytes]" . . . . . 100.00 863 100.00 100.00 5.44e-74 . . . . 17388 1 18 no SP E1BMF7 . "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 13; AltName: Full=Deubiquitinating enzyme 13; AltName: Full=Ubiquitin thioe" . . . . . 100.00 863 98.25 98.25 5.04e-72 . . . . 17388 1 19 no SP Q92995 . "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 13; AltName: Full=Deubiquitinating enzyme 13; AltName: Full=Isopeptidase T-" . . . . . 100.00 863 100.00 100.00 6.09e-74 . . . . 17388 1 20 no TPG DAA33286 . "TPA: ubiquitin specific peptidase 13 (isopeptidase T-3) [Bos taurus]" . . . . . 100.00 863 98.25 98.25 5.04e-72 . . . . 17388 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 . VAL . 17388 1 2 . SER . 17388 1 3 . LYS . 17388 1 4 . TYR . 17388 1 5 . ALA . 17388 1 6 . ASN . 17388 1 7 . ASN . 17388 1 8 . LEU . 17388 1 9 . THR . 17388 1 10 . GLN . 17388 1 11 . LEU . 17388 1 12 . ASP . 17388 1 13 . ASN . 17388 1 14 . GLY . 17388 1 15 . VAL . 17388 1 16 . ARG . 17388 1 17 . ILE . 17388 1 18 . PRO . 17388 1 19 . PRO . 17388 1 20 . SER . 17388 1 21 . GLY . 17388 1 22 . TRP . 17388 1 23 . LYS . 17388 1 24 . CYS . 17388 1 25 . ALA . 17388 1 26 . ARG . 17388 1 27 . CYS . 17388 1 28 . ASP . 17388 1 29 . LEU . 17388 1 30 . ARG . 17388 1 31 . GLU . 17388 1 32 . ASN . 17388 1 33 . LEU . 17388 1 34 . TRP . 17388 1 35 . LEU . 17388 1 36 . ASN . 17388 1 37 . LEU . 17388 1 38 . THR . 17388 1 39 . ASP . 17388 1 40 . GLY . 17388 1 41 . SER . 17388 1 42 . VAL . 17388 1 43 . LEU . 17388 1 44 . CYS . 17388 1 45 . GLY . 17388 1 46 . LYS . 17388 1 47 . TRP . 17388 1 48 . PHE . 17388 1 49 . PHE . 17388 1 50 . ASP . 17388 1 51 . SER . 17388 1 52 . SER . 17388 1 53 . GLY . 17388 1 54 . GLY . 17388 1 55 . ASN . 17388 1 56 . GLY . 17388 1 57 . HIS . 17388 1 58 . ALA . 17388 1 59 . LEU . 17388 1 60 . GLU . 17388 1 61 . HIS . 17388 1 62 . TYR . 17388 1 63 . ARG . 17388 1 64 . ASP . 17388 1 65 . MET . 17388 1 66 . GLY . 17388 1 67 . TYR . 17388 1 68 . PRO . 17388 1 69 . LEU . 17388 1 70 . ALA . 17388 1 71 . VAL . 17388 1 72 . LYS . 17388 1 73 . LEU . 17388 1 74 . GLY . 17388 1 75 . THR . 17388 1 76 . ILE . 17388 1 77 . THR . 17388 1 78 . PRO . 17388 1 79 . ASP . 17388 1 80 . GLY . 17388 1 81 . ALA . 17388 1 82 . ASP . 17388 1 83 . VAL . 17388 1 84 . TYR . 17388 1 85 . SER . 17388 1 86 . PHE . 17388 1 87 . GLN . 17388 1 88 . GLU . 17388 1 89 . GLU . 17388 1 90 . GLU . 17388 1 91 . PRO . 17388 1 92 . VAL . 17388 1 93 . LEU . 17388 1 94 . ASP . 17388 1 95 . PRO . 17388 1 96 . HIS . 17388 1 97 . LEU . 17388 1 98 . ALA . 17388 1 99 . LYS . 17388 1 100 . HIS . 17388 1 101 . LEU . 17388 1 102 . ALA . 17388 1 103 . HIS . 17388 1 104 . PHE . 17388 1 105 . GLY . 17388 1 106 . ILE . 17388 1 107 . ASP . 17388 1 108 . MET . 17388 1 109 . LEU . 17388 1 110 . HIS . 17388 1 111 . MET . 17388 1 112 . HIS . 17388 1 113 . GLY . 17388 1 114 . THR . 17388 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 . VAL 1 1 17388 1 . SER 2 2 17388 1 . LYS 3 3 17388 1 . TYR 4 4 17388 1 . ALA 5 5 17388 1 . ASN 6 6 17388 1 . ASN 7 7 17388 1 . LEU 8 8 17388 1 . THR 9 9 17388 1 . GLN 10 10 17388 1 . LEU 11 11 17388 1 . ASP 12 12 17388 1 . ASN 13 13 17388 1 . GLY 14 14 17388 1 . VAL 15 15 17388 1 . ARG 16 16 17388 1 . ILE 17 17 17388 1 . PRO 18 18 17388 1 . PRO 19 19 17388 1 . SER 20 20 17388 1 . GLY 21 21 17388 1 . TRP 22 22 17388 1 . LYS 23 23 17388 1 . CYS 24 24 17388 1 . ALA 25 25 17388 1 . ARG 26 26 17388 1 . CYS 27 27 17388 1 . ASP 28 28 17388 1 . LEU 29 29 17388 1 . ARG 30 30 17388 1 . GLU 31 31 17388 1 . ASN 32 32 17388 1 . LEU 33 33 17388 1 . TRP 34 34 17388 1 . LEU 35 35 17388 1 . ASN 36 36 17388 1 . LEU 37 37 17388 1 . THR 38 38 17388 1 . ASP 39 39 17388 1 . GLY 40 40 17388 1 . SER 41 41 17388 1 . VAL 42 42 17388 1 . LEU 43 43 17388 1 . CYS 44 44 17388 1 . GLY 45 45 17388 1 . LYS 46 46 17388 1 . TRP 47 47 17388 1 . PHE 48 48 17388 1 . PHE 49 49 17388 1 . ASP 50 50 17388 1 . SER 51 51 17388 1 . SER 52 52 17388 1 . GLY 53 53 17388 1 . GLY 54 54 17388 1 . ASN 55 55 17388 1 . GLY 56 56 17388 1 . HIS 57 57 17388 1 . ALA 58 58 17388 1 . LEU 59 59 17388 1 . GLU 60 60 17388 1 . HIS 61 61 17388 1 . TYR 62 62 17388 1 . ARG 63 63 17388 1 . ASP 64 64 17388 1 . MET 65 65 17388 1 . GLY 66 66 17388 1 . TYR 67 67 17388 1 . PRO 68 68 17388 1 . LEU 69 69 17388 1 . ALA 70 70 17388 1 . VAL 71 71 17388 1 . LYS 72 72 17388 1 . LEU 73 73 17388 1 . GLY 74 74 17388 1 . THR 75 75 17388 1 . ILE 76 76 17388 1 . THR 77 77 17388 1 . PRO 78 78 17388 1 . ASP 79 79 17388 1 . GLY 80 80 17388 1 . ALA 81 81 17388 1 . ASP 82 82 17388 1 . VAL 83 83 17388 1 . TYR 84 84 17388 1 . SER 85 85 17388 1 . PHE 86 86 17388 1 . GLN 87 87 17388 1 . GLU 88 88 17388 1 . GLU 89 89 17388 1 . GLU 90 90 17388 1 . PRO 91 91 17388 1 . VAL 92 92 17388 1 . LEU 93 93 17388 1 . ASP 94 94 17388 1 . PRO 95 95 17388 1 . HIS 96 96 17388 1 . LEU 97 97 17388 1 . ALA 98 98 17388 1 . LYS 99 99 17388 1 . HIS 100 100 17388 1 . LEU 101 101 17388 1 . ALA 102 102 17388 1 . HIS 103 103 17388 1 . PHE 104 104 17388 1 . GLY 105 105 17388 1 . ILE 106 106 17388 1 . ASP 107 107 17388 1 . MET 108 108 17388 1 . LEU 109 109 17388 1 . HIS 110 110 17388 1 . MET 111 111 17388 1 . HIS 112 112 17388 1 . GLY 113 113 17388 1 . THR 114 114 17388 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 17388 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . USP13 . . . . 17388 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 17388 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 BL21(DE3) . . . . . . . . . . . . . . pET-M . . . . . . 17388 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17388 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 USP13 [U-15N] . . 1 $entity . . 1 . . mM . . . . 17388 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17388 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17388 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17388 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17388 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17388 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 17388 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17388 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17388 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17388 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17388 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17388 _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 6.5 . pH 17388 1 pressure 1 . atm 17388 1 temperature 298 . K 17388 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17388 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17388 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17388 1 'structure solution' 17388 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17388 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17388 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17388 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17388 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17388 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17388 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17388 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17388 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17388 4 'peak picking' 17388 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 17388 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 17388 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17388 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17388 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17388 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17388 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 17388 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17388 1 2 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17388 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17388 1 4 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17388 1 5 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17388 1 6 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17388 1 7 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17388 1 8 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17388 1 9 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17388 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17388 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17388 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . . . . . 17388 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 17388 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 17388 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17388 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCACB' . . . 17388 1 3 '3D CBCA(CO)NH' . . . 17388 1 6 '3D C(CO)NH' . . . 17388 1 7 '3D HCCH-TOCSY' . . . 17388 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 VAL H H 1 8.554 0.005 . . . . . . 1 VAL HN . 17388 1 2 . 1 1 1 1 VAL HA H 1 4.171 0.011 . 1 . . . . 1 VAL HA . 17388 1 3 . 1 1 1 1 VAL HB H 1 1.995 0.007 . 1 . . . . 1 VAL HB . 17388 1 4 . 1 1 1 1 VAL HG11 H 1 1.028 0.007 . 2 . . . . 1 VAL MG1 . 17388 1 5 . 1 1 1 1 VAL HG12 H 1 1.028 0.007 . 2 . . . . 1 VAL MG1 . 17388 1 6 . 1 1 1 1 VAL HG13 H 1 1.028 0.007 . 2 . . . . 1 VAL MG1 . 17388 1 7 . 1 1 1 1 VAL HG21 H 1 0.949 0.008 . 2 . . . . 1 VAL MG2 . 17388 1 8 . 1 1 1 1 VAL HG22 H 1 0.949 0.008 . 2 . . . . 1 VAL MG2 . 17388 1 9 . 1 1 1 1 VAL HG23 H 1 0.949 0.008 . 2 . . . . 1 VAL MG2 . 17388 1 10 . 1 1 1 1 VAL C C 13 173.972 0.000 . 1 . . . . 1 VAL C . 17388 1 11 . 1 1 1 1 VAL CA C 13 62.923 0.133 . 1 . . . . 1 VAL CA . 17388 1 12 . 1 1 1 1 VAL CB C 13 32.225 0.062 . 1 . . . . 1 VAL CB . 17388 1 13 . 1 1 1 1 VAL CG1 C 13 21.913 0.168 . 2 . . . . 1 VAL CG1 . 17388 1 14 . 1 1 1 1 VAL CG2 C 13 21.067 0.055 . 2 . . . . 1 VAL CG2 . 17388 1 15 . 1 1 1 1 VAL N N 15 123.617 0.060 . 1 . . . . 1 VAL N . 17388 1 16 . 1 1 2 2 SER H H 1 8.140 0.004 . . . . . . 2 SER HN . 17388 1 17 . 1 1 2 2 SER HA H 1 4.687 0.006 . 1 . . . . 2 SER HA . 17388 1 18 . 1 1 2 2 SER HB2 H 1 3.914 0.009 . 2 . . . . 2 SER HB2 . 17388 1 19 . 1 1 2 2 SER HB3 H 1 3.802 0.005 . 2 . . . . 2 SER HB3 . 17388 1 20 . 1 1 2 2 SER C C 13 174.021 0.000 . 1 . . . . 2 SER C . 17388 1 21 . 1 1 2 2 SER CA C 13 57.716 0.125 . 1 . . . . 2 SER CA . 17388 1 22 . 1 1 2 2 SER CB C 13 64.070 0.273 . 1 . . . . 2 SER CB . 17388 1 23 . 1 1 2 2 SER N N 15 120.671 0.038 . 1 . . . . 2 SER N . 17388 1 24 . 1 1 3 3 LYS H H 1 9.644 0.014 . . . . . . 3 LYS HN . 17388 1 25 . 1 1 3 3 LYS HA H 1 4.172 0.010 . 1 . . . . 3 LYS HA . 17388 1 26 . 1 1 3 3 LYS HB2 H 1 1.506 0.005 . 1 . . . . 3 LYS HB2 . 17388 1 27 . 1 1 3 3 LYS HB3 H 1 1.506 0.005 . 1 . . . . 3 LYS HB3 . 17388 1 28 . 1 1 3 3 LYS HG2 H 1 1.223 0.007 . 2 . . . . 3 LYS HG2 . 17388 1 29 . 1 1 3 3 LYS HG3 H 1 1.050 0.009 . 2 . . . . 3 LYS HG3 . 17388 1 30 . 1 1 3 3 LYS HD2 H 1 1.583 0.010 . 1 . . . . 3 LYS HD2 . 17388 1 31 . 1 1 3 3 LYS HD3 H 1 1.583 0.010 . 1 . . . . 3 LYS HD3 . 17388 1 32 . 1 1 3 3 LYS HE2 H 1 2.921 0.003 . 1 . . . . 3 LYS HE2 . 17388 1 33 . 1 1 3 3 LYS HE3 H 1 2.921 0.003 . 1 . . . . 3 LYS HE3 . 17388 1 34 . 1 1 3 3 LYS C C 13 173.824 0.000 . 1 . . . . 3 LYS C . 17388 1 35 . 1 1 3 3 LYS CA C 13 58.038 0.102 . 1 . . . . 3 LYS CA . 17388 1 36 . 1 1 3 3 LYS CB C 13 32.063 0.039 . 1 . . . . 3 LYS CB . 17388 1 37 . 1 1 3 3 LYS CG C 13 24.533 0.116 . 1 . . . . 3 LYS CG . 17388 1 38 . 1 1 3 3 LYS CD C 13 29.065 0.060 . 1 . . . . 3 LYS CD . 17388 1 39 . 1 1 3 3 LYS CE C 13 41.855 0.083 . 1 . . . . 3 LYS CE . 17388 1 40 . 1 1 3 3 LYS N N 15 130.221 0.085 . 1 . . . . 3 LYS N . 17388 1 41 . 1 1 4 4 TYR H H 1 8.475 0.005 . . . . . . 4 TYR HN . 17388 1 42 . 1 1 4 4 TYR HA H 1 4.551 0.009 . 1 . . . . 4 TYR HA . 17388 1 43 . 1 1 4 4 TYR HB2 H 1 3.293 0.008 . 2 . . . . 4 TYR HB2 . 17388 1 44 . 1 1 4 4 TYR HB3 H 1 2.483 0.011 . 2 . . . . 4 TYR HB3 . 17388 1 45 . 1 1 4 4 TYR HD1 H 1 7.152 0.007 . 1 . . . . 4 TYR HD1 . 17388 1 46 . 1 1 4 4 TYR HD2 H 1 7.152 0.007 . 1 . . . . 4 TYR HD2 . 17388 1 47 . 1 1 4 4 TYR C C 13 172.816 0.000 . 1 . . . . 4 TYR C . 17388 1 48 . 1 1 4 4 TYR CA C 13 58.460 0.091 . 1 . . . . 4 TYR CA . 17388 1 49 . 1 1 4 4 TYR CB C 13 38.825 0.088 . 1 . . . . 4 TYR CB . 17388 1 50 . 1 1 4 4 TYR N N 15 118.214 0.041 . 1 . . . . 4 TYR N . 17388 1 51 . 1 1 5 5 ALA H H 1 7.416 0.011 . . . . . . 5 ALA HN . 17388 1 52 . 1 1 5 5 ALA HA H 1 4.091 0.008 . 1 . . . . 5 ALA HA . 17388 1 53 . 1 1 5 5 ALA HB1 H 1 1.685 0.008 . 1 . . . . 5 ALA MB . 17388 1 54 . 1 1 5 5 ALA HB2 H 1 1.685 0.008 . 1 . . . . 5 ALA MB . 17388 1 55 . 1 1 5 5 ALA HB3 H 1 1.685 0.008 . 1 . . . . 5 ALA MB . 17388 1 56 . 1 1 5 5 ALA C C 13 174.914 0.000 . 1 . . . . 5 ALA C . 17388 1 57 . 1 1 5 5 ALA CA C 13 54.629 0.126 . 1 . . . . 5 ALA CA . 17388 1 58 . 1 1 5 5 ALA CB C 13 19.815 0.098 . 1 . . . . 5 ALA CB . 17388 1 59 . 1 1 5 5 ALA N N 15 119.764 0.042 . 1 . . . . 5 ALA N . 17388 1 60 . 1 1 6 6 ASN H H 1 8.128 0.009 . . . . . . 6 ASN HN . 17388 1 61 . 1 1 6 6 ASN HA H 1 4.610 0.007 . 1 . . . . 6 ASN HA . 17388 1 62 . 1 1 6 6 ASN HB2 H 1 2.791 0.007 . 1 . . . . 6 ASN HB2 . 17388 1 63 . 1 1 6 6 ASN HB3 H 1 2.791 0.007 . 1 . . . . 6 ASN HB3 . 17388 1 64 . 1 1 6 6 ASN C C 13 172.512 0.000 . 1 . . . . 6 ASN C . 17388 1 65 . 1 1 6 6 ASN CA C 13 54.790 0.105 . 1 . . . . 6 ASN CA . 17388 1 66 . 1 1 6 6 ASN CB C 13 38.564 0.072 . 1 . . . . 6 ASN CB . 17388 1 67 . 1 1 6 6 ASN N N 15 114.384 0.042 . 1 . . . . 6 ASN N . 17388 1 68 . 1 1 7 7 ASN H H 1 8.154 0.007 . . . . . . 7 ASN HN . 17388 1 69 . 1 1 7 7 ASN HA H 1 4.800 0.005 . 1 . . . . 7 ASN HA . 17388 1 70 . 1 1 7 7 ASN HB2 H 1 2.847 0.005 . 2 . . . . 7 ASN HB2 . 17388 1 71 . 1 1 7 7 ASN HB3 H 1 2.716 0.005 . 2 . . . . 7 ASN HB3 . 17388 1 72 . 1 1 7 7 ASN C C 13 171.141 0.000 . 1 . . . . 7 ASN C . 17388 1 73 . 1 1 7 7 ASN CA C 13 52.278 0.084 . 1 . . . . 7 ASN CA . 17388 1 74 . 1 1 7 7 ASN CB C 13 38.180 0.080 . 1 . . . . 7 ASN CB . 17388 1 75 . 1 1 7 7 ASN N N 15 117.680 0.046 . 1 . . . . 7 ASN N . 17388 1 76 . 1 1 8 8 LEU H H 1 7.397 0.014 . . . . . . 8 LEU HN . 17388 1 77 . 1 1 8 8 LEU HA H 1 4.212 0.007 . 1 . . . . 8 LEU HA . 17388 1 78 . 1 1 8 8 LEU HB2 H 1 1.523 0.011 . 2 . . . . 8 LEU HB2 . 17388 1 79 . 1 1 8 8 LEU HB3 H 1 1.350 0.009 . 2 . . . . 8 LEU HB3 . 17388 1 80 . 1 1 8 8 LEU HG H 1 1.155 0.010 . 1 . . . . 8 LEU HG . 17388 1 81 . 1 1 8 8 LEU HD11 H 1 0.089 0.007 . 2 . . . . 8 LEU MD1 . 17388 1 82 . 1 1 8 8 LEU HD12 H 1 0.089 0.007 . 2 . . . . 8 LEU MD1 . 17388 1 83 . 1 1 8 8 LEU HD13 H 1 0.089 0.007 . 2 . . . . 8 LEU MD1 . 17388 1 84 . 1 1 8 8 LEU HD21 H 1 0.847 0.006 . 2 . . . . 8 LEU MD2 . 17388 1 85 . 1 1 8 8 LEU HD22 H 1 0.847 0.006 . 2 . . . . 8 LEU MD2 . 17388 1 86 . 1 1 8 8 LEU HD23 H 1 0.847 0.006 . 2 . . . . 8 LEU MD2 . 17388 1 87 . 1 1 8 8 LEU C C 13 173.989 0.000 . 1 . . . . 8 LEU C . 17388 1 88 . 1 1 8 8 LEU CA C 13 55.739 0.151 . 1 . . . . 8 LEU CA . 17388 1 89 . 1 1 8 8 LEU CB C 13 43.299 0.059 . 1 . . . . 8 LEU CB . 17388 1 90 . 1 1 8 8 LEU CG C 13 26.048 0.259 . 1 . . . . 8 LEU CG . 17388 1 91 . 1 1 8 8 LEU CD1 C 13 25.431 0.057 . 2 . . . . 8 LEU CD1 . 17388 1 92 . 1 1 8 8 LEU CD2 C 13 22.988 0.103 . 2 . . . . 8 LEU CD2 . 17388 1 93 . 1 1 8 8 LEU N N 15 123.010 0.019 . 1 . . . . 8 LEU N . 17388 1 94 . 1 1 9 9 THR H H 1 8.588 0.009 . . . . . . 9 THR HN . 17388 1 95 . 1 1 9 9 THR HA H 1 4.215 0.009 . 1 . . . . 9 THR HA . 17388 1 96 . 1 1 9 9 THR HB H 1 3.988 0.009 . 1 . . . . 9 THR HB . 17388 1 97 . 1 1 9 9 THR HG21 H 1 1.096 0.008 . 1 . . . . 9 THR MG . 17388 1 98 . 1 1 9 9 THR HG22 H 1 1.096 0.008 . 1 . . . . 9 THR MG . 17388 1 99 . 1 1 9 9 THR HG23 H 1 1.096 0.008 . 1 . . . . 9 THR MG . 17388 1 100 . 1 1 9 9 THR C C 13 170.391 0.000 . 1 . . . . 9 THR C . 17388 1 101 . 1 1 9 9 THR CA C 13 62.787 0.059 . 1 . . . . 9 THR CA . 17388 1 102 . 1 1 9 9 THR CB C 13 69.189 0.245 . 1 . . . . 9 THR CB . 17388 1 103 . 1 1 9 9 THR CG2 C 13 21.404 0.049 . 1 . . . . 9 THR CG2 . 17388 1 104 . 1 1 9 9 THR N N 15 125.227 0.084 . 1 . . . . 9 THR N . 17388 1 105 . 1 1 10 10 GLN H H 1 8.573 0.009 . . . . . . 10 GLN HN . 17388 1 106 . 1 1 10 10 GLN HA H 1 4.858 0.015 . 1 . . . . 10 GLN HA . 17388 1 107 . 1 1 10 10 GLN HB2 H 1 1.159 0.008 . 2 . . . . 10 GLN HB2 . 17388 1 108 . 1 1 10 10 GLN HB3 H 1 0.921 0.008 . 2 . . . . 10 GLN HB3 . 17388 1 109 . 1 1 10 10 GLN HG2 H 1 2.252 0.009 . 2 . . . . 10 GLN HG2 . 17388 1 110 . 1 1 10 10 GLN HG3 H 1 1.673 0.009 . 2 . . . . 10 GLN HG3 . 17388 1 111 . 1 1 10 10 GLN C C 13 172.427 0.000 . 1 . . . . 10 GLN C . 17388 1 112 . 1 1 10 10 GLN CA C 13 55.089 0.179 . 1 . . . . 10 GLN CA . 17388 1 113 . 1 1 10 10 GLN CB C 13 31.538 0.075 . 1 . . . . 10 GLN CB . 17388 1 114 . 1 1 10 10 GLN CG C 13 35.049 0.127 . 1 . . . . 10 GLN CG . 17388 1 115 . 1 1 10 10 GLN N N 15 124.446 0.118 . 1 . . . . 10 GLN N . 17388 1 116 . 1 1 11 11 LEU H H 1 8.667 0.005 . . . . . . 11 LEU HN . 17388 1 117 . 1 1 11 11 LEU HA H 1 4.255 0.009 . 1 . . . . 11 LEU HA . 17388 1 118 . 1 1 11 11 LEU HB2 H 1 1.899 0.009 . 2 . . . . 11 LEU HB2 . 17388 1 119 . 1 1 11 11 LEU HB3 H 1 1.501 0.008 . 2 . . . . 11 LEU HB3 . 17388 1 120 . 1 1 11 11 LEU HG H 1 0.996 0.010 . 1 . . . . 11 LEU HG . 17388 1 121 . 1 1 11 11 LEU HD11 H 1 0.783 0.006 . 1 . . . . 11 LEU MD1 . 17388 1 122 . 1 1 11 11 LEU HD12 H 1 0.783 0.006 . 1 . . . . 11 LEU MD1 . 17388 1 123 . 1 1 11 11 LEU HD13 H 1 0.783 0.006 . 1 . . . . 11 LEU MD1 . 17388 1 124 . 1 1 11 11 LEU HD21 H 1 0.783 0.006 . 1 . . . . 11 LEU MD2 . 17388 1 125 . 1 1 11 11 LEU HD22 H 1 0.783 0.006 . 1 . . . . 11 LEU MD2 . 17388 1 126 . 1 1 11 11 LEU HD23 H 1 0.783 0.006 . 1 . . . . 11 LEU MD2 . 17388 1 127 . 1 1 11 11 LEU C C 13 175.009 0.000 . 1 . . . . 11 LEU C . 17388 1 128 . 1 1 11 11 LEU CA C 13 54.932 0.085 . 1 . . . . 11 LEU CA . 17388 1 129 . 1 1 11 11 LEU CB C 13 41.737 0.102 . 1 . . . . 11 LEU CB . 17388 1 130 . 1 1 11 11 LEU CG C 13 25.641 0.097 . 1 . . . . 11 LEU CG . 17388 1 131 . 1 1 11 11 LEU CD1 C 13 21.271 0.106 . 1 . . . . 11 LEU CD1 . 17388 1 132 . 1 1 11 11 LEU CD2 C 13 21.271 0.106 . 1 . . . . 11 LEU CD2 . 17388 1 133 . 1 1 11 11 LEU N N 15 121.966 0.046 . 1 . . . . 11 LEU N . 17388 1 134 . 1 1 12 12 ASP H H 1 9.088 0.010 . . . . . . 12 ASP HN . 17388 1 135 . 1 1 12 12 ASP HA H 1 5.247 0.009 . 1 . . . . 12 ASP HA . 17388 1 136 . 1 1 12 12 ASP HB2 H 1 2.859 0.013 . 2 . . . . 12 ASP HB2 . 17388 1 137 . 1 1 12 12 ASP HB3 H 1 2.644 0.003 . 2 . . . . 12 ASP HB3 . 17388 1 138 . 1 1 12 12 ASP C C 13 172.747 0.000 . 1 . . . . 12 ASP C . 17388 1 139 . 1 1 12 12 ASP CA C 13 53.002 0.086 . 1 . . . . 12 ASP CA . 17388 1 140 . 1 1 12 12 ASP CB C 13 39.070 0.112 . 1 . . . . 12 ASP CB . 17388 1 141 . 1 1 12 12 ASP N N 15 127.116 0.089 . 1 . . . . 12 ASP N . 17388 1 142 . 1 1 13 13 ASN H H 1 7.941 0.009 . . . . . . 13 ASN HN . 17388 1 143 . 1 1 13 13 ASN HA H 1 4.814 0.003 . 1 . . . . 13 ASN HA . 17388 1 144 . 1 1 13 13 ASN HB2 H 1 3.351 0.011 . 2 . . . . 13 ASN HB2 . 17388 1 145 . 1 1 13 13 ASN HB3 H 1 2.760 0.013 . 2 . . . . 13 ASN HB3 . 17388 1 146 . 1 1 13 13 ASN C C 13 174.433 0.000 . 1 . . . . 13 ASN C . 17388 1 147 . 1 1 13 13 ASN CA C 13 51.778 0.149 . 1 . . . . 13 ASN CA . 17388 1 148 . 1 1 13 13 ASN CB C 13 38.979 0.072 . 1 . . . . 13 ASN CB . 17388 1 149 . 1 1 13 13 ASN N N 15 118.354 0.071 . 1 . . . . 13 ASN N . 17388 1 150 . 1 1 14 14 GLY H H 1 9.347 0.004 . . . . . . 14 GLY HN . 17388 1 151 . 1 1 14 14 GLY HA2 H 1 4.092 0.011 . 2 . . . . 14 GLY HA2 . 17388 1 152 . 1 1 14 14 GLY HA3 H 1 3.753 0.005 . 2 . . . . 14 GLY HA3 . 17388 1 153 . 1 1 14 14 GLY C C 13 171.544 0.000 . 1 . . . . 14 GLY C . 17388 1 154 . 1 1 14 14 GLY CA C 13 45.840 0.096 . 1 . . . . 14 GLY CA . 17388 1 155 . 1 1 14 14 GLY N N 15 110.290 0.027 . 1 . . . . 14 GLY N . 17388 1 156 . 1 1 15 15 VAL H H 1 7.593 0.010 . . . . . . 15 VAL HN . 17388 1 157 . 1 1 15 15 VAL HA H 1 3.824 0.007 . 1 . . . . 15 VAL HA . 17388 1 158 . 1 1 15 15 VAL HB H 1 2.249 0.005 . 1 . . . . 15 VAL HB . 17388 1 159 . 1 1 15 15 VAL HG11 H 1 1.016 0.006 . 2 . . . . 15 VAL MG1 . 17388 1 160 . 1 1 15 15 VAL HG12 H 1 1.016 0.006 . 2 . . . . 15 VAL MG1 . 17388 1 161 . 1 1 15 15 VAL HG13 H 1 1.016 0.006 . 2 . . . . 15 VAL MG1 . 17388 1 162 . 1 1 15 15 VAL HG21 H 1 0.992 0.006 . 2 . . . . 15 VAL MG2 . 17388 1 163 . 1 1 15 15 VAL HG22 H 1 0.992 0.006 . 2 . . . . 15 VAL MG2 . 17388 1 164 . 1 1 15 15 VAL HG23 H 1 0.992 0.006 . 2 . . . . 15 VAL MG2 . 17388 1 165 . 1 1 15 15 VAL C C 13 173.070 0.000 . 1 . . . . 15 VAL C . 17388 1 166 . 1 1 15 15 VAL CA C 13 64.856 0.099 . 1 . . . . 15 VAL CA . 17388 1 167 . 1 1 15 15 VAL CB C 13 31.894 0.113 . 1 . . . . 15 VAL CB . 17388 1 168 . 1 1 15 15 VAL CG1 C 13 22.752 0.069 . 2 . . . . 15 VAL CG1 . 17388 1 169 . 1 1 15 15 VAL CG2 C 13 21.561 0.105 . 2 . . . . 15 VAL CG2 . 17388 1 170 . 1 1 15 15 VAL N N 15 121.672 0.091 . 1 . . . . 15 VAL N . 17388 1 171 . 1 1 16 16 ARG H H 1 8.393 0.007 . . . . . . 16 ARG HN . 17388 1 172 . 1 1 16 16 ARG HA H 1 4.845 0.009 . 1 . . . . 16 ARG HA . 17388 1 173 . 1 1 16 16 ARG HB2 H 1 1.846 0.005 . 2 . . . . 16 ARG HB2 . 17388 1 174 . 1 1 16 16 ARG HB3 H 1 1.735 0.007 . 2 . . . . 16 ARG HB3 . 17388 1 175 . 1 1 16 16 ARG HG2 H 1 1.679 0.009 . 2 . . . . 16 ARG HG2 . 17388 1 176 . 1 1 16 16 ARG HG3 H 1 1.562 0.005 . 2 . . . . 16 ARG HG3 . 17388 1 177 . 1 1 16 16 ARG HD2 H 1 3.171 0.007 . 1 . . . . 16 ARG HD2 . 17388 1 178 . 1 1 16 16 ARG HD3 H 1 3.171 0.007 . 1 . . . . 16 ARG HD3 . 17388 1 179 . 1 1 16 16 ARG C C 13 172.605 0.000 . 1 . . . . 16 ARG C . 17388 1 180 . 1 1 16 16 ARG CA C 13 53.596 0.106 . 1 . . . . 16 ARG CA . 17388 1 181 . 1 1 16 16 ARG CB C 13 32.182 0.071 . 1 . . . . 16 ARG CB . 17388 1 182 . 1 1 16 16 ARG CG C 13 26.999 0.132 . 1 . . . . 16 ARG CG . 17388 1 183 . 1 1 16 16 ARG CD C 13 43.046 0.111 . 1 . . . . 16 ARG CD . 17388 1 184 . 1 1 16 16 ARG N N 15 127.113 0.021 . 1 . . . . 16 ARG N . 17388 1 185 . 1 1 17 17 ILE H H 1 8.503 0.005 . . . . . . 17 ILE HN . 17388 1 186 . 1 1 17 17 ILE HA H 1 4.830 0.008 . 1 . . . . 17 ILE HA . 17388 1 187 . 1 1 17 17 ILE HB H 1 2.048 0.006 . 1 . . . . 17 ILE HB . 17388 1 188 . 1 1 17 17 ILE HG12 H 1 1.706 0.005 . 2 . . . . 17 ILE HG12 . 17388 1 189 . 1 1 17 17 ILE HG13 H 1 1.200 0.006 . 2 . . . . 17 ILE HG13 . 17388 1 190 . 1 1 17 17 ILE HG21 H 1 1.073 0.006 . 1 . . . . 17 ILE MG . 17388 1 191 . 1 1 17 17 ILE HG22 H 1 1.073 0.006 . 1 . . . . 17 ILE MG . 17388 1 192 . 1 1 17 17 ILE HG23 H 1 1.073 0.006 . 1 . . . . 17 ILE MG . 17388 1 193 . 1 1 17 17 ILE HD11 H 1 0.714 0.009 . 1 . . . . 17 ILE MD . 17388 1 194 . 1 1 17 17 ILE HD12 H 1 0.714 0.009 . 1 . . . . 17 ILE MD . 17388 1 195 . 1 1 17 17 ILE HD13 H 1 0.714 0.009 . 1 . . . . 17 ILE MD . 17388 1 196 . 1 1 17 17 ILE CA C 13 55.502 0.137 . 1 . . . . 17 ILE CA . 17388 1 197 . 1 1 17 17 ILE CB C 13 37.386 0.070 . 1 . . . . 17 ILE CB . 17388 1 198 . 1 1 17 17 ILE CG1 C 13 26.889 0.162 . 1 . . . . 17 ILE CG1 . 17388 1 199 . 1 1 17 17 ILE CG2 C 13 16.033 0.028 . 1 . . . . 17 ILE CG2 . 17388 1 200 . 1 1 17 17 ILE CD1 C 13 9.465 0.023 . 1 . . . . 17 ILE CD1 . 17388 1 201 . 1 1 17 17 ILE N N 15 126.200 0.025 . 1 . . . . 17 ILE N . 17388 1 202 . 1 1 18 18 PRO HA H 1 4.974 0.005 . 1 . . . . 18 PRO HA . 17388 1 203 . 1 1 18 18 PRO HB2 H 1 2.538 0.005 . 2 . . . . 18 PRO HB2 . 17388 1 204 . 1 1 18 18 PRO HB3 H 1 2.313 0.008 . 2 . . . . 18 PRO HB3 . 17388 1 205 . 1 1 18 18 PRO HG2 H 1 2.263 0.006 . 2 . . . . 18 PRO HG2 . 17388 1 206 . 1 1 18 18 PRO HG3 H 1 2.119 0.008 . 2 . . . . 18 PRO HG3 . 17388 1 207 . 1 1 18 18 PRO HD2 H 1 4.117 0.009 . 2 . . . . 18 PRO HD2 . 17388 1 208 . 1 1 18 18 PRO HD3 H 1 4.062 0.007 . 2 . . . . 18 PRO HD3 . 17388 1 209 . 1 1 18 18 PRO CA C 13 62.021 0.028 . 1 . . . . 18 PRO CA . 17388 1 210 . 1 1 18 18 PRO CB C 13 31.811 0.085 . 1 . . . . 18 PRO CB . 17388 1 211 . 1 1 18 18 PRO CG C 13 26.797 0.058 . 1 . . . . 18 PRO CG . 17388 1 212 . 1 1 18 18 PRO CD C 13 51.215 0.091 . 1 . . . . 18 PRO CD . 17388 1 213 . 1 1 19 19 PRO HA H 1 4.685 0.005 . 1 . . . . 19 PRO HA . 17388 1 214 . 1 1 19 19 PRO HB2 H 1 2.406 0.009 . 2 . . . . 19 PRO HB2 . 17388 1 215 . 1 1 19 19 PRO HB3 H 1 2.068 0.008 . 2 . . . . 19 PRO HB3 . 17388 1 216 . 1 1 19 19 PRO HG2 H 1 2.119 0.005 . 2 . . . . 19 PRO HG2 . 17388 1 217 . 1 1 19 19 PRO HG3 H 1 2.021 0.003 . 2 . . . . 19 PRO HG3 . 17388 1 218 . 1 1 19 19 PRO HD2 H 1 3.849 0.007 . 1 . . . . 19 PRO HD2 . 17388 1 219 . 1 1 19 19 PRO HD3 H 1 3.849 0.007 . 1 . . . . 19 PRO HD3 . 17388 1 220 . 1 1 19 19 PRO C C 13 172.102 0.000 . 1 . . . . 19 PRO C . 17388 1 221 . 1 1 19 19 PRO CA C 13 64.324 0.128 . 1 . . . . 19 PRO CA . 17388 1 222 . 1 1 19 19 PRO CB C 13 32.050 0.137 . 1 . . . . 19 PRO CB . 17388 1 223 . 1 1 19 19 PRO CG C 13 27.149 0.178 . 1 . . . . 19 PRO CG . 17388 1 224 . 1 1 19 19 PRO CD C 13 50.378 0.121 . 1 . . . . 19 PRO CD . 17388 1 225 . 1 1 20 20 SER H H 1 7.030 0.005 . . . . . . 20 SER HN . 17388 1 226 . 1 1 20 20 SER HA H 1 3.050 0.009 . 1 . . . . 20 SER HA . 17388 1 227 . 1 1 20 20 SER HB2 H 1 3.601 0.013 . 2 . . . . 20 SER HB2 . 17388 1 228 . 1 1 20 20 SER HB3 H 1 3.498 0.012 . 2 . . . . 20 SER HB3 . 17388 1 229 . 1 1 20 20 SER C C 13 170.083 0.000 . 1 . . . . 20 SER C . 17388 1 230 . 1 1 20 20 SER CA C 13 56.326 0.087 . 1 . . . . 20 SER CA . 17388 1 231 . 1 1 20 20 SER CB C 13 63.967 0.074 . 1 . . . . 20 SER CB . 17388 1 232 . 1 1 20 20 SER N N 15 107.828 0.040 . 1 . . . . 20 SER N . 17388 1 233 . 1 1 21 21 GLY H H 1 8.108 0.005 . . . . . . 21 GLY HN . 17388 1 234 . 1 1 21 21 GLY HA2 H 1 3.751 0.005 . 2 . . . . 21 GLY HA2 . 17388 1 235 . 1 1 21 21 GLY HA3 H 1 3.579 0.011 . 2 . . . . 21 GLY HA3 . 17388 1 236 . 1 1 21 21 GLY C C 13 171.326 0.000 . 1 . . . . 21 GLY C . 17388 1 237 . 1 1 21 21 GLY CA C 13 46.021 0.121 . 1 . . . . 21 GLY CA . 17388 1 238 . 1 1 21 21 GLY N N 15 105.967 0.020 . 1 . . . . 21 GLY N . 17388 1 239 . 1 1 22 22 TRP H H 1 6.433 0.005 . . . . . . 22 TRP HN . 17388 1 240 . 1 1 22 22 TRP HA H 1 4.493 0.006 . 1 . . . . 22 TRP HA . 17388 1 241 . 1 1 22 22 TRP HB2 H 1 3.116 0.007 . 2 . . . . 22 TRP HB2 . 17388 1 242 . 1 1 22 22 TRP HB3 H 1 2.994 0.008 . 2 . . . . 22 TRP HB3 . 17388 1 243 . 1 1 22 22 TRP HD1 H 1 7.601 0.008 . 1 . . . . 22 TRP HD1 . 17388 1 244 . 1 1 22 22 TRP C C 13 171.531 0.000 . 1 . . . . 22 TRP C . 17388 1 245 . 1 1 22 22 TRP CA C 13 56.535 0.106 . 1 . . . . 22 TRP CA . 17388 1 246 . 1 1 22 22 TRP CB C 13 28.998 0.063 . 1 . . . . 22 TRP CB . 17388 1 247 . 1 1 22 22 TRP N N 15 118.478 0.024 . 1 . . . . 22 TRP N . 17388 1 248 . 1 1 23 23 LYS H H 1 8.356 0.005 . . . . . . 23 LYS HN . 17388 1 249 . 1 1 23 23 LYS HA H 1 4.798 0.009 . 1 . . . . 23 LYS HA . 17388 1 250 . 1 1 23 23 LYS HB2 H 1 1.626 0.009 . 1 . . . . 23 LYS HB2 . 17388 1 251 . 1 1 23 23 LYS HB3 H 1 1.626 0.009 . 1 . . . . 23 LYS HB3 . 17388 1 252 . 1 1 23 23 LYS HG2 H 1 1.876 0.009 . 2 . . . . 23 LYS HG2 . 17388 1 253 . 1 1 23 23 LYS HG3 H 1 1.274 0.014 . 2 . . . . 23 LYS HG3 . 17388 1 254 . 1 1 23 23 LYS HD2 H 1 1.783 0.007 . 1 . . . . 23 LYS HD2 . 17388 1 255 . 1 1 23 23 LYS HD3 H 1 1.783 0.007 . 1 . . . . 23 LYS HD3 . 17388 1 256 . 1 1 23 23 LYS HE2 H 1 3.062 0.007 . 1 . . . . 23 LYS HE2 . 17388 1 257 . 1 1 23 23 LYS HE3 H 1 3.062 0.007 . 1 . . . . 23 LYS HE3 . 17388 1 258 . 1 1 23 23 LYS C C 13 170.601 0.000 . 1 . . . . 23 LYS C . 17388 1 259 . 1 1 23 23 LYS CA C 13 55.035 0.076 . 1 . . . . 23 LYS CA . 17388 1 260 . 1 1 23 23 LYS CB C 13 35.936 0.083 . 1 . . . . 23 LYS CB . 17388 1 261 . 1 1 23 23 LYS CG C 13 21.984 0.038 . 1 . . . . 23 LYS CG . 17388 1 262 . 1 1 23 23 LYS CD C 13 28.851 0.127 . 1 . . . . 23 LYS CD . 17388 1 263 . 1 1 23 23 LYS CE C 13 40.999 0.110 . 1 . . . . 23 LYS CE . 17388 1 264 . 1 1 23 23 LYS N N 15 120.044 0.029 . 1 . . . . 23 LYS N . 17388 1 265 . 1 1 24 24 CYS H H 1 8.506 0.007 . . . . . . 24 CYS HN . 17388 1 266 . 1 1 24 24 CYS HA H 1 4.288 0.007 . 1 . . . . 24 CYS HA . 17388 1 267 . 1 1 24 24 CYS HB2 H 1 3.483 0.006 . 2 . . . . 24 CYS HB2 . 17388 1 268 . 1 1 24 24 CYS HB3 H 1 2.885 0.009 . 2 . . . . 24 CYS HB3 . 17388 1 269 . 1 1 24 24 CYS C C 13 172.907 0.000 . 1 . . . . 24 CYS C . 17388 1 270 . 1 1 24 24 CYS CA C 13 60.390 0.126 . 1 . . . . 24 CYS CA . 17388 1 271 . 1 1 24 24 CYS CB C 13 30.218 0.037 . 1 . . . . 24 CYS CB . 17388 1 272 . 1 1 24 24 CYS N N 15 125.606 0.096 . 1 . . . . 24 CYS N . 17388 1 273 . 1 1 25 25 ALA H H 1 9.030 0.011 . . . . . . 25 ALA HN . 17388 1 274 . 1 1 25 25 ALA HA H 1 4.294 0.003 . 1 . . . . 25 ALA HA . 17388 1 275 . 1 1 25 25 ALA HB1 H 1 1.599 0.005 . 1 . . . . 25 ALA MB . 17388 1 276 . 1 1 25 25 ALA HB2 H 1 1.599 0.005 . 1 . . . . 25 ALA MB . 17388 1 277 . 1 1 25 25 ALA HB3 H 1 1.599 0.005 . 1 . . . . 25 ALA MB . 17388 1 278 . 1 1 25 25 ALA C C 13 176.466 0.000 . 1 . . . . 25 ALA C . 17388 1 279 . 1 1 25 25 ALA CA C 13 54.894 0.052 . 1 . . . . 25 ALA CA . 17388 1 280 . 1 1 25 25 ALA CB C 13 18.795 0.084 . 1 . . . . 25 ALA CB . 17388 1 281 . 1 1 25 25 ALA N N 15 129.796 0.031 . 1 . . . . 25 ALA N . 17388 1 282 . 1 1 26 26 ARG H H 1 9.364 0.008 . . . . . . 26 ARG HN . 17388 1 283 . 1 1 26 26 ARG HA H 1 4.371 0.007 . 1 . . . . 26 ARG HA . 17388 1 284 . 1 1 26 26 ARG HB2 H 1 1.218 0.009 . 2 . . . . 26 ARG HB2 . 17388 1 285 . 1 1 26 26 ARG HB3 H 1 0.708 0.013 . 2 . . . . 26 ARG HB3 . 17388 1 286 . 1 1 26 26 ARG HG2 H 1 1.424 0.013 . 2 . . . . 26 ARG HG2 . 17388 1 287 . 1 1 26 26 ARG HG3 H 1 1.319 0.007 . 2 . . . . 26 ARG HG3 . 17388 1 288 . 1 1 26 26 ARG HD2 H 1 3.026 0.007 . 1 . . . . 26 ARG HD2 . 17388 1 289 . 1 1 26 26 ARG HD3 H 1 3.026 0.007 . 1 . . . . 26 ARG HD3 . 17388 1 290 . 1 1 26 26 ARG C C 13 172.384 0.000 . 1 . . . . 26 ARG C . 17388 1 291 . 1 1 26 26 ARG CA C 13 55.447 0.104 . 1 . . . . 26 ARG CA . 17388 1 292 . 1 1 26 26 ARG CB C 13 31.412 0.075 . 1 . . . . 26 ARG CB . 17388 1 293 . 1 1 26 26 ARG CG C 13 27.141 0.084 . 1 . . . . 26 ARG CG . 17388 1 294 . 1 1 26 26 ARG CD C 13 42.699 0.088 . 1 . . . . 26 ARG CD . 17388 1 295 . 1 1 26 26 ARG N N 15 117.326 0.026 . 1 . . . . 26 ARG N . 17388 1 296 . 1 1 27 27 CYS H H 1 7.591 0.007 . . . . . . 27 CYS HN . 17388 1 297 . 1 1 27 27 CYS HA H 1 4.984 0.005 . 1 . . . . 27 CYS HA . 17388 1 298 . 1 1 27 27 CYS HB2 H 1 3.449 0.015 . 2 . . . . 27 CYS HB2 . 17388 1 299 . 1 1 27 27 CYS HB3 H 1 3.343 0.007 . 2 . . . . 27 CYS HB3 . 17388 1 300 . 1 1 27 27 CYS C C 13 169.904 0.000 . 1 . . . . 27 CYS C . 17388 1 301 . 1 1 27 27 CYS CA C 13 58.989 0.052 . 1 . . . . 27 CYS CA . 17388 1 302 . 1 1 27 27 CYS CB C 13 30.091 0.046 . 1 . . . . 27 CYS CB . 17388 1 303 . 1 1 27 27 CYS N N 15 119.067 0.024 . 1 . . . . 27 CYS N . 17388 1 304 . 1 1 28 28 ASP H H 1 8.258 0.007 . . . . . . 28 ASP HN . 17388 1 305 . 1 1 28 28 ASP HA H 1 4.721 0.009 . 1 . . . . 28 ASP HA . 17388 1 306 . 1 1 28 28 ASP HB2 H 1 2.883 0.012 . 2 . . . . 28 ASP HB2 . 17388 1 307 . 1 1 28 28 ASP HB3 H 1 2.757 0.011 . 2 . . . . 28 ASP HB3 . 17388 1 308 . 1 1 28 28 ASP C C 13 173.757 0.000 . 1 . . . . 28 ASP C . 17388 1 309 . 1 1 28 28 ASP CA C 13 54.713 0.121 . 1 . . . . 28 ASP CA . 17388 1 310 . 1 1 28 28 ASP CB C 13 41.242 0.062 . 1 . . . . 28 ASP CB . 17388 1 311 . 1 1 28 28 ASP N N 15 114.418 0.044 . 1 . . . . 28 ASP N . 17388 1 312 . 1 1 29 29 LEU H H 1 8.499 0.008 . . . . . . 29 LEU HN . 17388 1 313 . 1 1 29 29 LEU HA H 1 4.274 0.012 . 1 . . . . 29 LEU HA . 17388 1 314 . 1 1 29 29 LEU HB2 H 1 1.978 0.007 . 2 . . . . 29 LEU HB2 . 17388 1 315 . 1 1 29 29 LEU HB3 H 1 1.542 0.007 . 2 . . . . 29 LEU HB3 . 17388 1 316 . 1 1 29 29 LEU HG H 1 2.209 0.008 . 1 . . . . 29 LEU HG . 17388 1 317 . 1 1 29 29 LEU HD11 H 1 1.230 0.007 . 2 . . . . 29 LEU MD1 . 17388 1 318 . 1 1 29 29 LEU HD12 H 1 1.230 0.007 . 2 . . . . 29 LEU MD1 . 17388 1 319 . 1 1 29 29 LEU HD13 H 1 1.230 0.007 . 2 . . . . 29 LEU MD1 . 17388 1 320 . 1 1 29 29 LEU HD21 H 1 1.071 0.008 . 2 . . . . 29 LEU MD2 . 17388 1 321 . 1 1 29 29 LEU HD22 H 1 1.071 0.008 . 2 . . . . 29 LEU MD2 . 17388 1 322 . 1 1 29 29 LEU HD23 H 1 1.071 0.008 . 2 . . . . 29 LEU MD2 . 17388 1 323 . 1 1 29 29 LEU C C 13 174.384 0.000 . 1 . . . . 29 LEU C . 17388 1 324 . 1 1 29 29 LEU CA C 13 57.296 0.139 . 1 . . . . 29 LEU CA . 17388 1 325 . 1 1 29 29 LEU CB C 13 42.827 0.102 . 1 . . . . 29 LEU CB . 17388 1 326 . 1 1 29 29 LEU CG C 13 27.687 0.106 . 1 . . . . 29 LEU CG . 17388 1 327 . 1 1 29 29 LEU CD1 C 13 26.225 0.033 . 2 . . . . 29 LEU CD1 . 17388 1 328 . 1 1 29 29 LEU CD2 C 13 22.951 0.060 . 2 . . . . 29 LEU CD2 . 17388 1 329 . 1 1 29 29 LEU N N 15 122.241 0.029 . 1 . . . . 29 LEU N . 17388 1 330 . 1 1 30 30 ARG H H 1 8.733 0.005 . . . . . . 30 ARG HN . 17388 1 331 . 1 1 30 30 ARG HA H 1 4.774 0.009 . 1 . . . . 30 ARG HA . 17388 1 332 . 1 1 30 30 ARG HB2 H 1 2.360 0.008 . 2 . . . . 30 ARG HB2 . 17388 1 333 . 1 1 30 30 ARG HB3 H 1 1.671 0.009 . 2 . . . . 30 ARG HB3 . 17388 1 334 . 1 1 30 30 ARG HG2 H 1 1.908 0.007 . 2 . . . . 30 ARG HG2 . 17388 1 335 . 1 1 30 30 ARG HG3 H 1 1.829 0.011 . 2 . . . . 30 ARG HG3 . 17388 1 336 . 1 1 30 30 ARG HD2 H 1 3.277 0.005 . 1 . . . . 30 ARG HD2 . 17388 1 337 . 1 1 30 30 ARG HD3 H 1 3.277 0.005 . 1 . . . . 30 ARG HD3 . 17388 1 338 . 1 1 30 30 ARG C C 13 172.226 0.000 . 1 . . . . 30 ARG C . 17388 1 339 . 1 1 30 30 ARG CA C 13 55.150 0.119 . 1 . . . . 30 ARG CA . 17388 1 340 . 1 1 30 30 ARG CB C 13 31.711 0.075 . 1 . . . . 30 ARG CB . 17388 1 341 . 1 1 30 30 ARG CG C 13 27.745 0.100 . 1 . . . . 30 ARG CG . 17388 1 342 . 1 1 30 30 ARG CD C 13 43.284 0.114 . 1 . . . . 30 ARG CD . 17388 1 343 . 1 1 30 30 ARG N N 15 117.045 0.026 . 1 . . . . 30 ARG N . 17388 1 344 . 1 1 31 31 GLU H H 1 7.144 0.007 . . . . . . 31 GLU HN . 17388 1 345 . 1 1 31 31 GLU HA H 1 4.686 0.008 . 1 . . . . 31 GLU HA . 17388 1 346 . 1 1 31 31 GLU HB2 H 1 2.079 0.009 . 2 . . . . 31 GLU HB2 . 17388 1 347 . 1 1 31 31 GLU HB3 H 1 1.894 0.006 . 2 . . . . 31 GLU HB3 . 17388 1 348 . 1 1 31 31 GLU HG2 H 1 2.234 0.005 . 1 . . . . 31 GLU HG2 . 17388 1 349 . 1 1 31 31 GLU HG3 H 1 2.234 0.005 . 1 . . . . 31 GLU HG3 . 17388 1 350 . 1 1 31 31 GLU C C 13 171.200 0.000 . 1 . . . . 31 GLU C . 17388 1 351 . 1 1 31 31 GLU CA C 13 54.098 0.112 . 1 . . . . 31 GLU CA . 17388 1 352 . 1 1 31 31 GLU CB C 13 33.255 0.101 . 1 . . . . 31 GLU CB . 17388 1 353 . 1 1 31 31 GLU CG C 13 35.640 0.101 . 1 . . . . 31 GLU CG . 17388 1 354 . 1 1 31 31 GLU N N 15 117.520 0.032 . 1 . . . . 31 GLU N . 17388 1 355 . 1 1 32 32 ASN H H 1 8.888 0.005 . . . . . . 32 ASN HN . 17388 1 356 . 1 1 32 32 ASN HA H 1 4.133 0.006 . 1 . . . . 32 ASN HA . 17388 1 357 . 1 1 32 32 ASN HB2 H 1 3.503 0.008 . 2 . . . . 32 ASN HB2 . 17388 1 358 . 1 1 32 32 ASN HB3 H 1 2.586 0.012 . 2 . . . . 32 ASN HB3 . 17388 1 359 . 1 1 32 32 ASN C C 13 170.063 0.000 . 1 . . . . 32 ASN C . 17388 1 360 . 1 1 32 32 ASN CA C 13 53.238 0.204 . 1 . . . . 32 ASN CA . 17388 1 361 . 1 1 32 32 ASN CB C 13 36.470 0.125 . 1 . . . . 32 ASN CB . 17388 1 362 . 1 1 32 32 ASN N N 15 117.778 0.038 . 1 . . . . 32 ASN N . 17388 1 363 . 1 1 33 33 LEU H H 1 8.664 0.007 . . . . . . 33 LEU HN . 17388 1 364 . 1 1 33 33 LEU HA H 1 4.617 0.009 . 1 . . . . 33 LEU HA . 17388 1 365 . 1 1 33 33 LEU HB2 H 1 1.599 0.009 . 2 . . . . 33 LEU HB2 . 17388 1 366 . 1 1 33 33 LEU HB3 H 1 0.822 0.006 . 2 . . . . 33 LEU HB3 . 17388 1 367 . 1 1 33 33 LEU HG H 1 1.076 0.010 . 1 . . . . 33 LEU HG . 17388 1 368 . 1 1 33 33 LEU HD11 H 1 0.704 0.014 . 2 . . . . 33 LEU MD1 . 17388 1 369 . 1 1 33 33 LEU HD12 H 1 0.704 0.014 . 2 . . . . 33 LEU MD1 . 17388 1 370 . 1 1 33 33 LEU HD13 H 1 0.704 0.014 . 2 . . . . 33 LEU MD1 . 17388 1 371 . 1 1 33 33 LEU HD21 H 1 0.512 0.010 . 2 . . . . 33 LEU MD2 . 17388 1 372 . 1 1 33 33 LEU HD22 H 1 0.512 0.010 . 2 . . . . 33 LEU MD2 . 17388 1 373 . 1 1 33 33 LEU HD23 H 1 0.512 0.010 . 2 . . . . 33 LEU MD2 . 17388 1 374 . 1 1 33 33 LEU C C 13 172.455 0.000 . 1 . . . . 33 LEU C . 17388 1 375 . 1 1 33 33 LEU CA C 13 53.452 0.068 . 1 . . . . 33 LEU CA . 17388 1 376 . 1 1 33 33 LEU CB C 13 44.427 0.055 . 1 . . . . 33 LEU CB . 17388 1 377 . 1 1 33 33 LEU CG C 13 26.204 0.054 . 1 . . . . 33 LEU CG . 17388 1 378 . 1 1 33 33 LEU CD1 C 13 26.825 0.062 . 2 . . . . 33 LEU CD1 . 17388 1 379 . 1 1 33 33 LEU CD2 C 13 21.821 0.047 . 2 . . . . 33 LEU CD2 . 17388 1 380 . 1 1 33 33 LEU N N 15 117.404 0.030 . 1 . . . . 33 LEU N . 17388 1 381 . 1 1 34 34 TRP H H 1 9.101 0.007 . . . . . . 34 TRP HN . 17388 1 382 . 1 1 34 34 TRP HA H 1 4.756 0.014 . 1 . . . . 34 TRP HA . 17388 1 383 . 1 1 34 34 TRP HB2 H 1 2.958 0.013 . 1 . . . . 34 TRP HB2 . 17388 1 384 . 1 1 34 34 TRP HB3 H 1 2.958 0.013 . 1 . . . . 34 TRP HB3 . 17388 1 385 . 1 1 34 34 TRP HD1 H 1 7.048 0.006 . 1 . . . . 34 TRP HD1 . 17388 1 386 . 1 1 34 34 TRP C C 13 172.096 0.000 . 1 . . . . 34 TRP C . 17388 1 387 . 1 1 34 34 TRP CA C 13 55.999 0.107 . 1 . . . . 34 TRP CA . 17388 1 388 . 1 1 34 34 TRP CB C 13 30.428 0.044 . 1 . . . . 34 TRP CB . 17388 1 389 . 1 1 34 34 TRP N N 15 121.204 0.036 . 1 . . . . 34 TRP N . 17388 1 390 . 1 1 35 35 LEU H H 1 9.667 0.007 . . . . . . 35 LEU HN . 17388 1 391 . 1 1 35 35 LEU HA H 1 5.292 0.011 . 1 . . . . 35 LEU HA . 17388 1 392 . 1 1 35 35 LEU HB2 H 1 1.821 0.007 . 2 . . . . 35 LEU HB2 . 17388 1 393 . 1 1 35 35 LEU HB3 H 1 0.892 0.007 . 2 . . . . 35 LEU HB3 . 17388 1 394 . 1 1 35 35 LEU HG H 1 1.050 0.007 . 1 . . . . 35 LEU HG . 17388 1 395 . 1 1 35 35 LEU HD11 H 1 0.518 0.014 . 2 . . . . 35 LEU MD1 . 17388 1 396 . 1 1 35 35 LEU HD12 H 1 0.518 0.014 . 2 . . . . 35 LEU MD1 . 17388 1 397 . 1 1 35 35 LEU HD13 H 1 0.518 0.014 . 2 . . . . 35 LEU MD1 . 17388 1 398 . 1 1 35 35 LEU HD21 H 1 0.391 0.009 . 2 . . . . 35 LEU MD2 . 17388 1 399 . 1 1 35 35 LEU HD22 H 1 0.391 0.009 . 2 . . . . 35 LEU MD2 . 17388 1 400 . 1 1 35 35 LEU HD23 H 1 0.391 0.009 . 2 . . . . 35 LEU MD2 . 17388 1 401 . 1 1 35 35 LEU C C 13 173.038 0.000 . 1 . . . . 35 LEU C . 17388 1 402 . 1 1 35 35 LEU CA C 13 52.190 0.099 . 1 . . . . 35 LEU CA . 17388 1 403 . 1 1 35 35 LEU CB C 13 44.187 0.085 . 1 . . . . 35 LEU CB . 17388 1 404 . 1 1 35 35 LEU CG C 13 27.089 0.042 . 1 . . . . 35 LEU CG . 17388 1 405 . 1 1 35 35 LEU CD1 C 13 26.617 0.073 . 2 . . . . 35 LEU CD1 . 17388 1 406 . 1 1 35 35 LEU CD2 C 13 26.382 0.040 . 2 . . . . 35 LEU CD2 . 17388 1 407 . 1 1 35 35 LEU N N 15 128.410 0.063 . 1 . . . . 35 LEU N . 17388 1 408 . 1 1 36 36 ASN H H 1 9.232 0.004 . . . . . . 36 ASN HN . 17388 1 409 . 1 1 36 36 ASN HA H 1 5.076 0.015 . 1 . . . . 36 ASN HA . 17388 1 410 . 1 1 36 36 ASN HB2 H 1 3.635 0.006 . 2 . . . . 36 ASN HB2 . 17388 1 411 . 1 1 36 36 ASN HB3 H 1 3.032 0.005 . 2 . . . . 36 ASN HB3 . 17388 1 412 . 1 1 36 36 ASN C C 13 173.891 0.000 . 1 . . . . 36 ASN C . 17388 1 413 . 1 1 36 36 ASN CA C 13 55.056 0.075 . 1 . . . . 36 ASN CA . 17388 1 414 . 1 1 36 36 ASN CB C 13 39.944 0.093 . 1 . . . . 36 ASN CB . 17388 1 415 . 1 1 36 36 ASN N N 15 128.851 0.021 . 1 . . . . 36 ASN N . 17388 1 416 . 1 1 37 37 LEU H H 1 8.515 0.009 . . . . . . 37 LEU HN . 17388 1 417 . 1 1 37 37 LEU HA H 1 4.250 0.009 . 1 . . . . 37 LEU HA . 17388 1 418 . 1 1 37 37 LEU HB2 H 1 1.786 0.008 . 2 . . . . 37 LEU HB2 . 17388 1 419 . 1 1 37 37 LEU HB3 H 1 1.416 0.007 . 2 . . . . 37 LEU HB3 . 17388 1 420 . 1 1 37 37 LEU HG H 1 1.648 0.008 . 1 . . . . 37 LEU HG . 17388 1 421 . 1 1 37 37 LEU HD11 H 1 0.847 0.006 . 2 . . . . 37 LEU MD1 . 17388 1 422 . 1 1 37 37 LEU HD12 H 1 0.847 0.006 . 2 . . . . 37 LEU MD1 . 17388 1 423 . 1 1 37 37 LEU HD13 H 1 0.847 0.006 . 2 . . . . 37 LEU MD1 . 17388 1 424 . 1 1 37 37 LEU HD21 H 1 0.857 0.006 . 2 . . . . 37 LEU MD2 . 17388 1 425 . 1 1 37 37 LEU HD22 H 1 0.857 0.006 . 2 . . . . 37 LEU MD2 . 17388 1 426 . 1 1 37 37 LEU HD23 H 1 0.857 0.006 . 2 . . . . 37 LEU MD2 . 17388 1 427 . 1 1 37 37 LEU C C 13 173.492 0.000 . 1 . . . . 37 LEU C . 17388 1 428 . 1 1 37 37 LEU CA C 13 56.299 0.066 . 1 . . . . 37 LEU CA . 17388 1 429 . 1 1 37 37 LEU CB C 13 42.730 0.089 . 1 . . . . 37 LEU CB . 17388 1 430 . 1 1 37 37 LEU CG C 13 27.032 0.114 . 1 . . . . 37 LEU CG . 17388 1 431 . 1 1 37 37 LEU CD1 C 13 25.528 0.068 . 2 . . . . 37 LEU CD1 . 17388 1 432 . 1 1 37 37 LEU CD2 C 13 22.759 0.088 . 2 . . . . 37 LEU CD2 . 17388 1 433 . 1 1 37 37 LEU N N 15 125.063 0.123 . 1 . . . . 37 LEU N . 17388 1 434 . 1 1 38 38 THR H H 1 9.176 0.011 . . . . . . 38 THR HN . 17388 1 435 . 1 1 38 38 THR HA H 1 4.674 0.002 . 1 . . . . 38 THR HA . 17388 1 436 . 1 1 38 38 THR HB H 1 3.480 0.006 . 1 . . . . 38 THR HB . 17388 1 437 . 1 1 38 38 THR HG21 H 1 0.346 0.007 . 1 . . . . 38 THR MG . 17388 1 438 . 1 1 38 38 THR HG22 H 1 0.346 0.007 . 1 . . . . 38 THR MG . 17388 1 439 . 1 1 38 38 THR HG23 H 1 0.346 0.007 . 1 . . . . 38 THR MG . 17388 1 440 . 1 1 38 38 THR C C 13 171.366 0.000 . 1 . . . . 38 THR C . 17388 1 441 . 1 1 38 38 THR CA C 13 66.319 0.191 . 1 . . . . 38 THR CA . 17388 1 442 . 1 1 38 38 THR CB C 13 69.260 0.152 . 1 . . . . 38 THR CB . 17388 1 443 . 1 1 38 38 THR CG2 C 13 19.921 0.051 . 1 . . . . 38 THR CG2 . 17388 1 444 . 1 1 38 38 THR N N 15 115.954 0.043 . 1 . . . . 38 THR N . 17388 1 445 . 1 1 39 39 ASP H H 1 7.253 0.013 . . . . . . 39 ASP HN . 17388 1 446 . 1 1 39 39 ASP HA H 1 4.980 0.006 . 1 . . . . 39 ASP HA . 17388 1 447 . 1 1 39 39 ASP HB2 H 1 3.189 0.006 . 2 . . . . 39 ASP HB2 . 17388 1 448 . 1 1 39 39 ASP HB3 H 1 2.464 0.006 . 2 . . . . 39 ASP HB3 . 17388 1 449 . 1 1 39 39 ASP C C 13 174.004 0.000 . 1 . . . . 39 ASP C . 17388 1 450 . 1 1 39 39 ASP CA C 13 52.109 0.088 . 1 . . . . 39 ASP CA . 17388 1 451 . 1 1 39 39 ASP CB C 13 42.557 0.157 . 1 . . . . 39 ASP CB . 17388 1 452 . 1 1 39 39 ASP N N 15 114.552 0.067 . 1 . . . . 39 ASP N . 17388 1 453 . 1 1 40 40 GLY H H 1 8.500 0.008 . . . . . . 40 GLY HN . 17388 1 454 . 1 1 40 40 GLY HA2 H 1 3.152 0.008 . 2 . . . . 40 GLY HA2 . 17388 1 455 . 1 1 40 40 GLY HA3 H 1 2.742 0.008 . 2 . . . . 40 GLY HA3 . 17388 1 456 . 1 1 40 40 GLY C C 13 169.327 0.000 . 1 . . . . 40 GLY C . 17388 1 457 . 1 1 40 40 GLY CA C 13 45.852 0.064 . 1 . . . . 40 GLY CA . 17388 1 458 . 1 1 40 40 GLY N N 15 114.786 0.033 . 1 . . . . 40 GLY N . 17388 1 459 . 1 1 41 41 SER H H 1 7.865 0.005 . . . . . . 41 SER HN . 17388 1 460 . 1 1 41 41 SER HA H 1 3.954 0.006 . 1 . . . . 41 SER HA . 17388 1 461 . 1 1 41 41 SER HB2 H 1 3.813 0.013 . 2 . . . . 41 SER HB2 . 17388 1 462 . 1 1 41 41 SER HB3 H 1 3.510 0.009 . 2 . . . . 41 SER HB3 . 17388 1 463 . 1 1 41 41 SER C C 13 170.653 0.000 . 1 . . . . 41 SER C . 17388 1 464 . 1 1 41 41 SER CA C 13 58.684 0.126 . 1 . . . . 41 SER CA . 17388 1 465 . 1 1 41 41 SER CB C 13 64.027 0.075 . 1 . . . . 41 SER CB . 17388 1 466 . 1 1 41 41 SER N N 15 114.370 0.085 . 1 . . . . 41 SER N . 17388 1 467 . 1 1 42 42 VAL H H 1 8.599 0.008 . . . . . . 42 VAL HN . 17388 1 468 . 1 1 42 42 VAL HA H 1 4.542 0.009 . 1 . . . . 42 VAL HA . 17388 1 469 . 1 1 42 42 VAL HB H 1 2.178 0.006 . 1 . . . . 42 VAL HB . 17388 1 470 . 1 1 42 42 VAL HG11 H 1 0.629 0.012 . 2 . . . . 42 VAL MG1 . 17388 1 471 . 1 1 42 42 VAL HG12 H 1 0.629 0.012 . 2 . . . . 42 VAL MG1 . 17388 1 472 . 1 1 42 42 VAL HG13 H 1 0.629 0.012 . 2 . . . . 42 VAL MG1 . 17388 1 473 . 1 1 42 42 VAL HG21 H 1 0.808 0.006 . 2 . . . . 42 VAL MG2 . 17388 1 474 . 1 1 42 42 VAL HG22 H 1 0.808 0.006 . 2 . . . . 42 VAL MG2 . 17388 1 475 . 1 1 42 42 VAL HG23 H 1 0.808 0.006 . 2 . . . . 42 VAL MG2 . 17388 1 476 . 1 1 42 42 VAL C C 13 171.681 0.000 . 1 . . . . 42 VAL C . 17388 1 477 . 1 1 42 42 VAL CA C 13 62.544 0.125 . 1 . . . . 42 VAL CA . 17388 1 478 . 1 1 42 42 VAL CB C 13 32.109 0.112 . 1 . . . . 42 VAL CB . 17388 1 479 . 1 1 42 42 VAL CG1 C 13 23.509 0.032 . 2 . . . . 42 VAL CG1 . 17388 1 480 . 1 1 42 42 VAL CG2 C 13 21.709 0.041 . 2 . . . . 42 VAL CG2 . 17388 1 481 . 1 1 42 42 VAL N N 15 125.619 0.034 . 1 . . . . 42 VAL N . 17388 1 482 . 1 1 43 43 LEU H H 1 8.549 0.012 . . . . . . 43 LEU HN . 17388 1 483 . 1 1 43 43 LEU HA H 1 6.234 0.010 . 1 . . . . 43 LEU HA . 17388 1 484 . 1 1 43 43 LEU HB2 H 1 1.925 0.005 . 2 . . . . 43 LEU HB2 . 17388 1 485 . 1 1 43 43 LEU HB3 H 1 1.344 0.009 . 2 . . . . 43 LEU HB3 . 17388 1 486 . 1 1 43 43 LEU HG H 1 1.491 0.013 . 1 . . . . 43 LEU HG . 17388 1 487 . 1 1 43 43 LEU HD11 H 1 0.692 0.009 . 2 . . . . 43 LEU MD1 . 17388 1 488 . 1 1 43 43 LEU HD12 H 1 0.692 0.009 . 2 . . . . 43 LEU MD1 . 17388 1 489 . 1 1 43 43 LEU HD13 H 1 0.692 0.009 . 2 . . . . 43 LEU MD1 . 17388 1 490 . 1 1 43 43 LEU HD21 H 1 1.166 0.006 . 2 . . . . 43 LEU MD2 . 17388 1 491 . 1 1 43 43 LEU HD22 H 1 1.166 0.006 . 2 . . . . 43 LEU MD2 . 17388 1 492 . 1 1 43 43 LEU HD23 H 1 1.166 0.006 . 2 . . . . 43 LEU MD2 . 17388 1 493 . 1 1 43 43 LEU C C 13 174.250 0.000 . 1 . . . . 43 LEU C . 17388 1 494 . 1 1 43 43 LEU CA C 13 52.623 0.080 . 1 . . . . 43 LEU CA . 17388 1 495 . 1 1 43 43 LEU CB C 13 47.250 0.071 . 1 . . . . 43 LEU CB . 17388 1 496 . 1 1 43 43 LEU CG C 13 26.970 0.080 . 1 . . . . 43 LEU CG . 17388 1 497 . 1 1 43 43 LEU CD1 C 13 27.152 0.050 . 2 . . . . 43 LEU CD1 . 17388 1 498 . 1 1 43 43 LEU CD2 C 13 26.198 0.058 . 2 . . . . 43 LEU CD2 . 17388 1 499 . 1 1 43 43 LEU N N 15 124.916 0.061 . 1 . . . . 43 LEU N . 17388 1 500 . 1 1 44 44 CYS H H 1 9.726 0.005 . . . . . . 44 CYS HN . 17388 1 501 . 1 1 44 44 CYS HA H 1 5.301 0.013 . 1 . . . . 44 CYS HA . 17388 1 502 . 1 1 44 44 CYS HB2 H 1 3.485 0.007 . 2 . . . . 44 CYS HB2 . 17388 1 503 . 1 1 44 44 CYS HB3 H 1 3.046 0.007 . 2 . . . . 44 CYS HB3 . 17388 1 504 . 1 1 44 44 CYS C C 13 173.015 0.000 . 1 . . . . 44 CYS C . 17388 1 505 . 1 1 44 44 CYS CA C 13 58.441 0.091 . 1 . . . . 44 CYS CA . 17388 1 506 . 1 1 44 44 CYS CB C 13 32.420 0.065 . 1 . . . . 44 CYS CB . 17388 1 507 . 1 1 44 44 CYS N N 15 123.014 0.032 . 1 . . . . 44 CYS N . 17388 1 508 . 1 1 45 45 GLY H H 1 9.120 0.009 . . . . . . 45 GLY HN . 17388 1 509 . 1 1 45 45 GLY CA C 13 44.888 0.087 . 1 . . . . 45 GLY CA . 17388 1 510 . 1 1 45 45 GLY N N 15 106.692 0.031 . 1 . . . . 45 GLY N . 17388 1 511 . 1 1 53 53 GLY HA2 H 1 3.929 0.007 . 1 . . . . 53 GLY HA2 . 17388 1 512 . 1 1 53 53 GLY HA3 H 1 3.929 0.007 . 1 . . . . 53 GLY HA3 . 17388 1 513 . 1 1 53 53 GLY C C 13 170.131 0.000 . 1 . . . . 53 GLY C . 17388 1 514 . 1 1 53 53 GLY CA C 13 44.526 0.110 . 1 . . . . 53 GLY CA . 17388 1 515 . 1 1 54 54 GLY H H 1 7.942 0.007 . . . . . . 54 GLY HN . 17388 1 516 . 1 1 54 54 GLY HA2 H 1 4.309 0.009 . 2 . . . . 54 GLY HA2 . 17388 1 517 . 1 1 54 54 GLY HA3 H 1 3.800 0.007 . 2 . . . . 54 GLY HA3 . 17388 1 518 . 1 1 54 54 GLY CA C 13 44.876 0.073 . 1 . . . . 54 GLY CA . 17388 1 519 . 1 1 54 54 GLY N N 15 106.795 0.020 . 1 . . . . 54 GLY N . 17388 1 520 . 1 1 55 55 ASN HA H 1 5.106 0.008 . 1 . . . . 55 ASN HA . 17388 1 521 . 1 1 55 55 ASN HB2 H 1 2.823 0.008 . 2 . . . . 55 ASN HB2 . 17388 1 522 . 1 1 55 55 ASN HB3 H 1 2.548 0.007 . 2 . . . . 55 ASN HB3 . 17388 1 523 . 1 1 55 55 ASN C C 13 172.828 0.000 . 1 . . . . 55 ASN C . 17388 1 524 . 1 1 55 55 ASN CA C 13 52.790 0.148 . 1 . . . . 55 ASN CA . 17388 1 525 . 1 1 55 55 ASN CB C 13 40.034 0.106 . 1 . . . . 55 ASN CB . 17388 1 526 . 1 1 56 56 GLY H H 1 8.608 0.005 . . . . . . 56 GLY HN . 17388 1 527 . 1 1 56 56 GLY CA C 13 46.751 0.072 . 1 . . . . 56 GLY CA . 17388 1 528 . 1 1 56 56 GLY N N 15 109.096 0.049 . 1 . . . . 56 GLY N . 17388 1 529 . 1 1 57 57 HIS HA H 1 4.469 0.005 . 1 . . . . 57 HIS HA . 17388 1 530 . 1 1 57 57 HIS HB2 H 1 3.972 0.009 . 2 . . . . 57 HIS HB2 . 17388 1 531 . 1 1 57 57 HIS HB3 H 1 3.283 0.009 . 2 . . . . 57 HIS HB3 . 17388 1 532 . 1 1 57 57 HIS C C 13 174.852 0.000 . 1 . . . . 57 HIS C . 17388 1 533 . 1 1 57 57 HIS CA C 13 62.702 0.159 . 1 . . . . 57 HIS CA . 17388 1 534 . 1 1 57 57 HIS CB C 13 30.024 0.111 . 1 . . . . 57 HIS CB . 17388 1 535 . 1 1 58 58 ALA H H 1 10.592 0.012 . . . . . . 58 ALA HN . 17388 1 536 . 1 1 58 58 ALA HA H 1 4.116 0.008 . 1 . . . . 58 ALA HA . 17388 1 537 . 1 1 58 58 ALA HB1 H 1 1.460 0.005 . 1 . . . . 58 ALA MB . 17388 1 538 . 1 1 58 58 ALA HB2 H 1 1.460 0.005 . 1 . . . . 58 ALA MB . 17388 1 539 . 1 1 58 58 ALA HB3 H 1 1.460 0.005 . 1 . . . . 58 ALA MB . 17388 1 540 . 1 1 58 58 ALA CA C 13 55.809 0.090 . 1 . . . . 58 ALA CA . 17388 1 541 . 1 1 58 58 ALA CB C 13 17.383 0.003 . 1 . . . . 58 ALA CB . 17388 1 542 . 1 1 58 58 ALA N N 15 125.599 0.074 . 1 . . . . 58 ALA N . 17388 1 543 . 1 1 59 59 LEU HA H 1 3.638 0.007 . 1 . . . . 59 LEU HA . 17388 1 544 . 1 1 59 59 LEU HB2 H 1 1.914 0.008 . 2 . . . . 59 LEU HB2 . 17388 1 545 . 1 1 59 59 LEU HB3 H 1 1.626 0.009 . 2 . . . . 59 LEU HB3 . 17388 1 546 . 1 1 59 59 LEU HG H 1 1.526 0.005 . 1 . . . . 59 LEU HG . 17388 1 547 . 1 1 59 59 LEU HD11 H 1 1.044 0.006 . 2 . . . . 59 LEU MD1 . 17388 1 548 . 1 1 59 59 LEU HD12 H 1 1.044 0.006 . 2 . . . . 59 LEU MD1 . 17388 1 549 . 1 1 59 59 LEU HD13 H 1 1.044 0.006 . 2 . . . . 59 LEU MD1 . 17388 1 550 . 1 1 59 59 LEU HD21 H 1 0.998 0.008 . 2 . . . . 59 LEU MD2 . 17388 1 551 . 1 1 59 59 LEU HD22 H 1 0.998 0.008 . 2 . . . . 59 LEU MD2 . 17388 1 552 . 1 1 59 59 LEU HD23 H 1 0.998 0.008 . 2 . . . . 59 LEU MD2 . 17388 1 553 . 1 1 59 59 LEU C C 13 175.607 0.000 . 1 . . . . 59 LEU C . 17388 1 554 . 1 1 59 59 LEU CA C 13 57.061 0.110 . 1 . . . . 59 LEU CA . 17388 1 555 . 1 1 59 59 LEU CB C 13 42.031 0.082 . 1 . . . . 59 LEU CB . 17388 1 556 . 1 1 59 59 LEU CG C 13 27.445 0.036 . 1 . . . . 59 LEU CG . 17388 1 557 . 1 1 59 59 LEU CD1 C 13 26.100 0.061 . 2 . . . . 59 LEU CD1 . 17388 1 558 . 1 1 59 59 LEU CD2 C 13 24.167 0.088 . 2 . . . . 59 LEU CD2 . 17388 1 559 . 1 1 60 60 GLU H H 1 7.712 0.013 . . . . . . 60 GLU HN . 17388 1 560 . 1 1 60 60 GLU HA H 1 3.875 0.008 . 1 . . . . 60 GLU HA . 17388 1 561 . 1 1 60 60 GLU HB2 H 1 2.266 0.008 . 2 . . . . 60 GLU HB2 . 17388 1 562 . 1 1 60 60 GLU HB3 H 1 2.221 0.008 . 2 . . . . 60 GLU HB3 . 17388 1 563 . 1 1 60 60 GLU HG2 H 1 2.487 0.008 . 2 . . . . 60 GLU HG2 . 17388 1 564 . 1 1 60 60 GLU HG3 H 1 2.285 0.003 . 2 . . . . 60 GLU HG3 . 17388 1 565 . 1 1 60 60 GLU C C 13 174.774 0.000 . 1 . . . . 60 GLU C . 17388 1 566 . 1 1 60 60 GLU CA C 13 59.554 0.118 . 1 . . . . 60 GLU CA . 17388 1 567 . 1 1 60 60 GLU CB C 13 29.947 0.048 . 1 . . . . 60 GLU CB . 17388 1 568 . 1 1 60 60 GLU CG C 13 36.401 0.046 . 1 . . . . 60 GLU CG . 17388 1 569 . 1 1 60 60 GLU N N 15 119.788 0.028 . 1 . . . . 60 GLU N . 17388 1 570 . 1 1 61 61 HIS H H 1 7.878 0.006 . . . . . . 61 HIS HN . 17388 1 571 . 1 1 61 61 HIS HA H 1 4.483 0.012 . 1 . . . . 61 HIS HA . 17388 1 572 . 1 1 61 61 HIS HB2 H 1 3.242 0.017 . 2 . . . . 61 HIS HB2 . 17388 1 573 . 1 1 61 61 HIS HB3 H 1 3.185 0.017 . 2 . . . . 61 HIS HB3 . 17388 1 574 . 1 1 61 61 HIS C C 13 174.485 0.000 . 1 . . . . 61 HIS C . 17388 1 575 . 1 1 61 61 HIS CA C 13 58.769 0.094 . 1 . . . . 61 HIS CA . 17388 1 576 . 1 1 61 61 HIS CB C 13 31.150 0.179 . 1 . . . . 61 HIS CB . 17388 1 577 . 1 1 61 61 HIS N N 15 117.339 0.213 . 1 . . . . 61 HIS N . 17388 1 578 . 1 1 62 62 TYR H H 1 7.312 0.006 . . . . . . 62 TYR HN . 17388 1 579 . 1 1 62 62 TYR HA H 1 3.821 0.005 . 1 . . . . 62 TYR HA . 17388 1 580 . 1 1 62 62 TYR HB2 H 1 2.298 0.007 . 2 . . . . 62 TYR HB2 . 17388 1 581 . 1 1 62 62 TYR HB3 H 1 2.144 0.007 . 2 . . . . 62 TYR HB3 . 17388 1 582 . 1 1 62 62 TYR C C 13 175.086 0.000 . 1 . . . . 62 TYR C . 17388 1 583 . 1 1 62 62 TYR CA C 13 61.328 0.102 . 1 . . . . 62 TYR CA . 17388 1 584 . 1 1 62 62 TYR CB C 13 36.346 0.095 . 1 . . . . 62 TYR CB . 17388 1 585 . 1 1 62 62 TYR N N 15 119.518 0.024 . 1 . . . . 62 TYR N . 17388 1 586 . 1 1 63 63 ARG H H 1 8.094 0.005 . . . . . . 63 ARG HN . 17388 1 587 . 1 1 63 63 ARG HA H 1 3.317 0.006 . 1 . . . . 63 ARG HA . 17388 1 588 . 1 1 63 63 ARG HB2 H 1 1.857 0.011 . 1 . . . . 63 ARG HB2 . 17388 1 589 . 1 1 63 63 ARG HB3 H 1 1.857 0.011 . 1 . . . . 63 ARG HB3 . 17388 1 590 . 1 1 63 63 ARG HG2 H 1 1.794 0.010 . 2 . . . . 63 ARG HG2 . 17388 1 591 . 1 1 63 63 ARG HG3 H 1 1.519 0.005 . 2 . . . . 63 ARG HG3 . 17388 1 592 . 1 1 63 63 ARG HD2 H 1 3.132 0.007 . 1 . . . . 63 ARG HD2 . 17388 1 593 . 1 1 63 63 ARG HD3 H 1 3.132 0.007 . 1 . . . . 63 ARG HD3 . 17388 1 594 . 1 1 63 63 ARG C C 13 174.536 0.000 . 1 . . . . 63 ARG C . 17388 1 595 . 1 1 63 63 ARG CA C 13 59.386 0.080 . 1 . . . . 63 ARG CA . 17388 1 596 . 1 1 63 63 ARG CB C 13 29.047 0.105 . 1 . . . . 63 ARG CB . 17388 1 597 . 1 1 63 63 ARG CG C 13 27.734 0.102 . 1 . . . . 63 ARG CG . 17388 1 598 . 1 1 63 63 ARG CD C 13 43.469 0.175 . 1 . . . . 63 ARG CD . 17388 1 599 . 1 1 63 63 ARG N N 15 121.260 0.050 . 1 . . . . 63 ARG N . 17388 1 600 . 1 1 64 64 ASP H H 1 7.611 0.009 . . . . . . 64 ASP HN . 17388 1 601 . 1 1 64 64 ASP HA H 1 4.343 0.005 . 1 . . . . 64 ASP HA . 17388 1 602 . 1 1 64 64 ASP HB2 H 1 2.551 0.004 . 1 . . . . 64 ASP HB2 . 17388 1 603 . 1 1 64 64 ASP HB3 H 1 2.551 0.004 . 1 . . . . 64 ASP HB3 . 17388 1 604 . 1 1 64 64 ASP C C 13 174.265 0.000 . 1 . . . . 64 ASP C . 17388 1 605 . 1 1 64 64 ASP CA C 13 56.521 0.099 . 1 . . . . 64 ASP CA . 17388 1 606 . 1 1 64 64 ASP CB C 13 41.405 0.083 . 1 . . . . 64 ASP CB . 17388 1 607 . 1 1 64 64 ASP N N 15 116.159 0.063 . 1 . . . . 64 ASP N . 17388 1 608 . 1 1 65 65 MET H H 1 7.763 0.033 . . . . . . 65 MET HN . 17388 1 609 . 1 1 65 65 MET HA H 1 4.248 0.007 . 1 . . . . 65 MET HA . 17388 1 610 . 1 1 65 65 MET HB2 H 1 0.634 0.009 . 2 . . . . 65 MET HB2 . 17388 1 611 . 1 1 65 65 MET HB3 H 1 0.355 0.009 . 2 . . . . 65 MET HB3 . 17388 1 612 . 1 1 65 65 MET HG2 H 1 1.904 0.010 . 2 . . . . 65 MET HG2 . 17388 1 613 . 1 1 65 65 MET HG3 H 1 1.704 0.007 . 2 . . . . 65 MET HG3 . 17388 1 614 . 1 1 65 65 MET C C 13 175.119 0.000 . 1 . . . . 65 MET C . 17388 1 615 . 1 1 65 65 MET CA C 13 54.492 0.128 . 1 . . . . 65 MET CA . 17388 1 616 . 1 1 65 65 MET CB C 13 32.095 0.205 . 1 . . . . 65 MET CB . 17388 1 617 . 1 1 65 65 MET CG C 13 31.624 0.084 . 1 . . . . 65 MET CG . 17388 1 618 . 1 1 65 65 MET N N 15 113.081 0.087 . 1 . . . . 65 MET N . 17388 1 619 . 1 1 66 66 GLY H H 1 8.567 0.013 . . . . . . 66 GLY HN . 17388 1 620 . 1 1 66 66 GLY HA2 H 1 3.770 0.014 . 2 . . . . 66 GLY HA2 . 17388 1 621 . 1 1 66 66 GLY HA3 H 1 3.147 0.011 . 2 . . . . 66 GLY HA3 . 17388 1 622 . 1 1 66 66 GLY C C 13 170.955 0.000 . 1 . . . . 66 GLY C . 17388 1 623 . 1 1 66 66 GLY CA C 13 45.557 0.128 . 1 . . . . 66 GLY CA . 17388 1 624 . 1 1 66 66 GLY N N 15 107.498 0.036 . 1 . . . . 66 GLY N . 17388 1 625 . 1 1 67 67 TYR H H 1 6.040 0.024 . . . . . . 67 TYR HN . 17388 1 626 . 1 1 67 67 TYR HA H 1 5.262 0.010 . 1 . . . . 67 TYR HA . 17388 1 627 . 1 1 67 67 TYR HB2 H 1 3.831 0.007 . 2 . . . . 67 TYR HB2 . 17388 1 628 . 1 1 67 67 TYR HB3 H 1 3.010 0.008 . 2 . . . . 67 TYR HB3 . 17388 1 629 . 1 1 67 67 TYR CA C 13 51.012 0.092 . 1 . . . . 67 TYR CA . 17388 1 630 . 1 1 67 67 TYR CB C 13 35.871 0.058 . 1 . . . . 67 TYR CB . 17388 1 631 . 1 1 67 67 TYR N N 15 121.484 0.069 . 1 . . . . 67 TYR N . 17388 1 632 . 1 1 68 68 PRO HA H 1 4.512 0.006 . 1 . . . . 68 PRO HA . 17388 1 633 . 1 1 68 68 PRO HB2 H 1 2.030 0.007 . 2 . . . . 68 PRO HB2 . 17388 1 634 . 1 1 68 68 PRO HB3 H 1 1.683 0.008 . 2 . . . . 68 PRO HB3 . 17388 1 635 . 1 1 68 68 PRO HG2 H 1 1.883 0.014 . 2 . . . . 68 PRO HG2 . 17388 1 636 . 1 1 68 68 PRO HG3 H 1 1.792 0.007 . 2 . . . . 68 PRO HG3 . 17388 1 637 . 1 1 68 68 PRO HD2 H 1 4.381 0.008 . 2 . . . . 68 PRO HD2 . 17388 1 638 . 1 1 68 68 PRO HD3 H 1 3.812 0.004 . 2 . . . . 68 PRO HD3 . 17388 1 639 . 1 1 68 68 PRO C C 13 172.491 0.000 . 1 . . . . 68 PRO C . 17388 1 640 . 1 1 68 68 PRO CA C 13 67.240 0.092 . 1 . . . . 68 PRO CA . 17388 1 641 . 1 1 68 68 PRO CB C 13 33.567 0.072 . 1 . . . . 68 PRO CB . 17388 1 642 . 1 1 68 68 PRO CG C 13 26.900 0.119 . 1 . . . . 68 PRO CG . 17388 1 643 . 1 1 68 68 PRO CD C 13 50.638 0.122 . 1 . . . . 68 PRO CD . 17388 1 644 . 1 1 69 69 LEU H H 1 9.168 0.012 . . . . . . 69 LEU HN . 17388 1 645 . 1 1 69 69 LEU HA H 1 5.472 0.009 . 1 . . . . 69 LEU HA . 17388 1 646 . 1 1 69 69 LEU HB2 H 1 1.919 0.007 . 2 . . . . 69 LEU HB2 . 17388 1 647 . 1 1 69 69 LEU HB3 H 1 1.136 0.007 . 2 . . . . 69 LEU HB3 . 17388 1 648 . 1 1 69 69 LEU HG H 1 1.534 0.010 . 1 . . . . 69 LEU HG . 17388 1 649 . 1 1 69 69 LEU HD11 H 1 0.753 0.009 . 2 . . . . 69 LEU MD1 . 17388 1 650 . 1 1 69 69 LEU HD12 H 1 0.753 0.009 . 2 . . . . 69 LEU MD1 . 17388 1 651 . 1 1 69 69 LEU HD13 H 1 0.753 0.009 . 2 . . . . 69 LEU MD1 . 17388 1 652 . 1 1 69 69 LEU HD21 H 1 0.902 0.011 . 2 . . . . 69 LEU MD2 . 17388 1 653 . 1 1 69 69 LEU HD22 H 1 0.902 0.011 . 2 . . . . 69 LEU MD2 . 17388 1 654 . 1 1 69 69 LEU HD23 H 1 0.902 0.011 . 2 . . . . 69 LEU MD2 . 17388 1 655 . 1 1 69 69 LEU C C 13 173.589 0.000 . 1 . . . . 69 LEU C . 17388 1 656 . 1 1 69 69 LEU CA C 13 53.846 0.097 . 1 . . . . 69 LEU CA . 17388 1 657 . 1 1 69 69 LEU CB C 13 46.276 0.077 . 1 . . . . 69 LEU CB . 17388 1 658 . 1 1 69 69 LEU CG C 13 27.638 0.047 . 1 . . . . 69 LEU CG . 17388 1 659 . 1 1 69 69 LEU CD1 C 13 24.871 0.048 . 2 . . . . 69 LEU CD1 . 17388 1 660 . 1 1 69 69 LEU CD2 C 13 23.537 0.087 . 2 . . . . 69 LEU CD2 . 17388 1 661 . 1 1 69 69 LEU N N 15 118.931 0.073 . 1 . . . . 69 LEU N . 17388 1 662 . 1 1 70 70 ALA H H 1 8.753 0.008 . . . . . . 70 ALA HN . 17388 1 663 . 1 1 70 70 ALA HA H 1 5.642 0.008 . 1 . . . . 70 ALA HA . 17388 1 664 . 1 1 70 70 ALA HB1 H 1 1.566 0.008 . 1 . . . . 70 ALA MB . 17388 1 665 . 1 1 70 70 ALA HB2 H 1 1.566 0.008 . 1 . . . . 70 ALA MB . 17388 1 666 . 1 1 70 70 ALA HB3 H 1 1.566 0.008 . 1 . . . . 70 ALA MB . 17388 1 667 . 1 1 70 70 ALA C C 13 171.337 0.000 . 1 . . . . 70 ALA C . 17388 1 668 . 1 1 70 70 ALA CA C 13 50.762 0.090 . 1 . . . . 70 ALA CA . 17388 1 669 . 1 1 70 70 ALA CB C 13 24.521 0.060 . 1 . . . . 70 ALA CB . 17388 1 670 . 1 1 70 70 ALA N N 15 121.866 0.032 . 1 . . . . 70 ALA N . 17388 1 671 . 1 1 71 71 VAL H H 1 9.196 0.008 . . . . . . 71 VAL HN . 17388 1 672 . 1 1 71 71 VAL HA H 1 5.275 0.007 . 1 . . . . 71 VAL HA . 17388 1 673 . 1 1 71 71 VAL HB H 1 1.802 0.006 . 1 . . . . 71 VAL HB . 17388 1 674 . 1 1 71 71 VAL HG11 H 1 0.952 0.007 . 2 . . . . 71 VAL MG1 . 17388 1 675 . 1 1 71 71 VAL HG12 H 1 0.952 0.007 . 2 . . . . 71 VAL MG1 . 17388 1 676 . 1 1 71 71 VAL HG13 H 1 0.952 0.007 . 2 . . . . 71 VAL MG1 . 17388 1 677 . 1 1 71 71 VAL HG21 H 1 0.885 0.007 . 2 . . . . 71 VAL MG2 . 17388 1 678 . 1 1 71 71 VAL HG22 H 1 0.885 0.007 . 2 . . . . 71 VAL MG2 . 17388 1 679 . 1 1 71 71 VAL HG23 H 1 0.885 0.007 . 2 . . . . 71 VAL MG2 . 17388 1 680 . 1 1 71 71 VAL C C 13 170.306 0.000 . 1 . . . . 71 VAL C . 17388 1 681 . 1 1 71 71 VAL CA C 13 58.536 0.055 . 1 . . . . 71 VAL CA . 17388 1 682 . 1 1 71 71 VAL CB C 13 35.732 0.097 . 1 . . . . 71 VAL CB . 17388 1 683 . 1 1 71 71 VAL CG1 C 13 23.708 0.074 . 2 . . . . 71 VAL CG1 . 17388 1 684 . 1 1 71 71 VAL CG2 C 13 21.657 0.139 . 2 . . . . 71 VAL CG2 . 17388 1 685 . 1 1 71 71 VAL N N 15 119.610 0.041 . 1 . . . . 71 VAL N . 17388 1 686 . 1 1 72 72 LYS H H 1 8.021 0.006 . . . . . . 72 LYS HN . 17388 1 687 . 1 1 72 72 LYS HA H 1 3.162 0.011 . 1 . . . . 72 LYS HA . 17388 1 688 . 1 1 72 72 LYS HB2 H 1 1.091 0.009 . 1 . . . . 72 LYS HB2 . 17388 1 689 . 1 1 72 72 LYS HB3 H 1 1.091 0.009 . 1 . . . . 72 LYS HB3 . 17388 1 690 . 1 1 72 72 LYS HG2 H 1 0.749 0.006 . 1 . . . . 72 LYS HG2 . 17388 1 691 . 1 1 72 72 LYS HG3 H 1 0.749 0.006 . 1 . . . . 72 LYS HG3 . 17388 1 692 . 1 1 72 72 LYS HD2 H 1 1.233 0.010 . 1 . . . . 72 LYS HD2 . 17388 1 693 . 1 1 72 72 LYS HD3 H 1 1.233 0.010 . 1 . . . . 72 LYS HD3 . 17388 1 694 . 1 1 72 72 LYS HE2 H 1 2.815 0.012 . 2 . . . . 72 LYS HE2 . 17388 1 695 . 1 1 72 72 LYS HE3 H 1 2.777 0.008 . 2 . . . . 72 LYS HE3 . 17388 1 696 . 1 1 72 72 LYS C C 13 174.046 0.000 . 1 . . . . 72 LYS C . 17388 1 697 . 1 1 72 72 LYS CA C 13 56.334 0.091 . 1 . . . . 72 LYS CA . 17388 1 698 . 1 1 72 72 LYS CB C 13 30.806 0.079 . 1 . . . . 72 LYS CB . 17388 1 699 . 1 1 72 72 LYS CG C 13 24.743 0.070 . 1 . . . . 72 LYS CG . 17388 1 700 . 1 1 72 72 LYS CD C 13 29.036 0.082 . 1 . . . . 72 LYS CD . 17388 1 701 . 1 1 72 72 LYS CE C 13 42.202 0.057 . 1 . . . . 72 LYS CE . 17388 1 702 . 1 1 72 72 LYS N N 15 130.635 0.028 . 1 . . . . 72 LYS N . 17388 1 703 . 1 1 73 73 LEU H H 1 8.321 0.006 . . . . . . 73 LEU HN . 17388 1 704 . 1 1 73 73 LEU HA H 1 3.538 0.008 . 1 . . . . 73 LEU HA . 17388 1 705 . 1 1 73 73 LEU HB2 H 1 0.906 0.009 . 2 . . . . 73 LEU HB2 . 17388 1 706 . 1 1 73 73 LEU HB3 H 1 -0.144 0.006 . 2 . . . . 73 LEU HB3 . 17388 1 707 . 1 1 73 73 LEU HG H 1 0.963 0.005 . 1 . . . . 73 LEU HG . 17388 1 708 . 1 1 73 73 LEU HD11 H 1 -0.178 0.008 . 2 . . . . 73 LEU MD1 . 17388 1 709 . 1 1 73 73 LEU HD12 H 1 -0.178 0.008 . 2 . . . . 73 LEU MD1 . 17388 1 710 . 1 1 73 73 LEU HD13 H 1 -0.178 0.008 . 2 . . . . 73 LEU MD1 . 17388 1 711 . 1 1 73 73 LEU HD21 H 1 -0.028 0.005 . 2 . . . . 73 LEU MD2 . 17388 1 712 . 1 1 73 73 LEU HD22 H 1 -0.028 0.005 . 2 . . . . 73 LEU MD2 . 17388 1 713 . 1 1 73 73 LEU HD23 H 1 -0.028 0.005 . 2 . . . . 73 LEU MD2 . 17388 1 714 . 1 1 73 73 LEU C C 13 174.596 0.000 . 1 . . . . 73 LEU C . 17388 1 715 . 1 1 73 73 LEU CA C 13 56.616 0.114 . 1 . . . . 73 LEU CA . 17388 1 716 . 1 1 73 73 LEU CB C 13 39.706 0.066 . 1 . . . . 73 LEU CB . 17388 1 717 . 1 1 73 73 LEU CG C 13 26.197 0.079 . 1 . . . . 73 LEU CG . 17388 1 718 . 1 1 73 73 LEU CD1 C 13 25.888 0.033 . 2 . . . . 73 LEU CD1 . 17388 1 719 . 1 1 73 73 LEU CD2 C 13 21.555 0.031 . 2 . . . . 73 LEU CD2 . 17388 1 720 . 1 1 73 73 LEU N N 15 132.914 0.035 . 1 . . . . 73 LEU N . 17388 1 721 . 1 1 74 74 GLY H H 1 8.931 0.005 . . . . . . 74 GLY HN . 17388 1 722 . 1 1 74 74 GLY HA2 H 1 4.496 0.009 . 2 . . . . 74 GLY HA2 . 17388 1 723 . 1 1 74 74 GLY HA3 H 1 4.054 0.004 . 2 . . . . 74 GLY HA3 . 17388 1 724 . 1 1 74 74 GLY C C 13 171.819 0.000 . 1 . . . . 74 GLY C . 17388 1 725 . 1 1 74 74 GLY CA C 13 44.996 0.106 . 1 . . . . 74 GLY CA . 17388 1 726 . 1 1 74 74 GLY N N 15 109.614 0.051 . 1 . . . . 74 GLY N . 17388 1 727 . 1 1 75 75 THR H H 1 7.340 0.005 . . . . . . 75 THR HN . 17388 1 728 . 1 1 75 75 THR HA H 1 4.687 0.008 . 1 . . . . 75 THR HA . 17388 1 729 . 1 1 75 75 THR HB H 1 4.473 0.005 . 1 . . . . 75 THR HB . 17388 1 730 . 1 1 75 75 THR HG21 H 1 1.071 0.005 . 1 . . . . 75 THR MG . 17388 1 731 . 1 1 75 75 THR HG22 H 1 1.071 0.005 . 1 . . . . 75 THR MG . 17388 1 732 . 1 1 75 75 THR HG23 H 1 1.071 0.005 . 1 . . . . 75 THR MG . 17388 1 733 . 1 1 75 75 THR C C 13 170.347 0.000 . 1 . . . . 75 THR C . 17388 1 734 . 1 1 75 75 THR CA C 13 61.282 0.127 . 1 . . . . 75 THR CA . 17388 1 735 . 1 1 75 75 THR CB C 13 70.331 0.197 . 1 . . . . 75 THR CB . 17388 1 736 . 1 1 75 75 THR CG2 C 13 21.051 0.018 . 1 . . . . 75 THR CG2 . 17388 1 737 . 1 1 75 75 THR N N 15 106.917 0.019 . 1 . . . . 75 THR N . 17388 1 738 . 1 1 76 76 ILE H H 1 7.118 0.007 . . . . . . 76 ILE HN . 17388 1 739 . 1 1 76 76 ILE HA H 1 4.277 0.007 . 1 . . . . 76 ILE HA . 17388 1 740 . 1 1 76 76 ILE HB H 1 1.811 0.011 . 1 . . . . 76 ILE HB . 17388 1 741 . 1 1 76 76 ILE HG12 H 1 1.772 0.009 . 2 . . . . 76 ILE HG12 . 17388 1 742 . 1 1 76 76 ILE HG13 H 1 0.755 0.006 . 2 . . . . 76 ILE HG13 . 17388 1 743 . 1 1 76 76 ILE HG21 H 1 0.880 0.009 . 1 . . . . 76 ILE MG . 17388 1 744 . 1 1 76 76 ILE HG22 H 1 0.880 0.009 . 1 . . . . 76 ILE MG . 17388 1 745 . 1 1 76 76 ILE HG23 H 1 0.880 0.009 . 1 . . . . 76 ILE MG . 17388 1 746 . 1 1 76 76 ILE HD11 H 1 0.865 0.008 . 1 . . . . 76 ILE MD . 17388 1 747 . 1 1 76 76 ILE HD12 H 1 0.865 0.008 . 1 . . . . 76 ILE MD . 17388 1 748 . 1 1 76 76 ILE HD13 H 1 0.865 0.008 . 1 . . . . 76 ILE MD . 17388 1 749 . 1 1 76 76 ILE C C 13 172.567 0.000 . 1 . . . . 76 ILE C . 17388 1 750 . 1 1 76 76 ILE CA C 13 62.893 0.122 . 1 . . . . 76 ILE CA . 17388 1 751 . 1 1 76 76 ILE CB C 13 38.095 0.096 . 1 . . . . 76 ILE CB . 17388 1 752 . 1 1 76 76 ILE CG1 C 13 28.457 0.060 . 1 . . . . 76 ILE CG1 . 17388 1 753 . 1 1 76 76 ILE CG2 C 13 18.843 0.040 . 1 . . . . 76 ILE CG2 . 17388 1 754 . 1 1 76 76 ILE CD1 C 13 14.375 0.081 . 1 . . . . 76 ILE CD1 . 17388 1 755 . 1 1 76 76 ILE N N 15 121.340 0.022 . 1 . . . . 76 ILE N . 17388 1 756 . 1 1 77 77 THR H H 1 9.198 0.004 . . . . . . 77 THR HN . 17388 1 757 . 1 1 77 77 THR HA H 1 5.004 0.009 . 1 . . . . 77 THR HA . 17388 1 758 . 1 1 77 77 THR HB H 1 4.700 0.006 . 1 . . . . 77 THR HB . 17388 1 759 . 1 1 77 77 THR HG21 H 1 1.202 0.005 . 1 . . . . 77 THR MG . 17388 1 760 . 1 1 77 77 THR HG22 H 1 1.202 0.005 . 1 . . . . 77 THR MG . 17388 1 761 . 1 1 77 77 THR HG23 H 1 1.202 0.005 . 1 . . . . 77 THR MG . 17388 1 762 . 1 1 77 77 THR CA C 13 59.701 0.139 . 1 . . . . 77 THR CA . 17388 1 763 . 1 1 77 77 THR CB C 13 70.281 0.233 . 1 . . . . 77 THR CB . 17388 1 764 . 1 1 77 77 THR CG2 C 13 21.024 0.046 . 1 . . . . 77 THR CG2 . 17388 1 765 . 1 1 77 77 THR N N 15 123.014 0.049 . 1 . . . . 77 THR N . 17388 1 766 . 1 1 78 78 PRO HA H 1 4.287 0.005 . 1 . . . . 78 PRO HA . 17388 1 767 . 1 1 78 78 PRO HB2 H 1 2.377 0.007 . 2 . . . . 78 PRO HB2 . 17388 1 768 . 1 1 78 78 PRO HB3 H 1 1.795 0.004 . 2 . . . . 78 PRO HB3 . 17388 1 769 . 1 1 78 78 PRO HG2 H 1 2.090 0.006 . 2 . . . . 78 PRO HG2 . 17388 1 770 . 1 1 78 78 PRO HG3 H 1 2.003 0.006 . 2 . . . . 78 PRO HG3 . 17388 1 771 . 1 1 78 78 PRO HD2 H 1 3.945 0.008 . 2 . . . . 78 PRO HD2 . 17388 1 772 . 1 1 78 78 PRO HD3 H 1 3.745 0.006 . 2 . . . . 78 PRO HD3 . 17388 1 773 . 1 1 78 78 PRO C C 13 173.535 0.000 . 1 . . . . 78 PRO C . 17388 1 774 . 1 1 78 78 PRO CA C 13 64.980 0.147 . 1 . . . . 78 PRO CA . 17388 1 775 . 1 1 78 78 PRO CB C 13 31.994 0.123 . 1 . . . . 78 PRO CB . 17388 1 776 . 1 1 78 78 PRO CG C 13 28.315 0.064 . 1 . . . . 78 PRO CG . 17388 1 777 . 1 1 78 78 PRO CD C 13 50.635 0.109 . 1 . . . . 78 PRO CD . 17388 1 778 . 1 1 79 79 ASP H H 1 7.692 0.005 . . . . . . 79 ASP HN . 17388 1 779 . 1 1 79 79 ASP HA H 1 4.722 0.005 . 1 . . . . 79 ASP HA . 17388 1 780 . 1 1 79 79 ASP HB2 H 1 2.764 0.010 . 2 . . . . 79 ASP HB2 . 17388 1 781 . 1 1 79 79 ASP HB3 H 1 2.321 0.004 . 2 . . . . 79 ASP HB3 . 17388 1 782 . 1 1 79 79 ASP C C 13 172.841 0.000 . 1 . . . . 79 ASP C . 17388 1 783 . 1 1 79 79 ASP CA C 13 54.004 0.135 . 1 . . . . 79 ASP CA . 17388 1 784 . 1 1 79 79 ASP CB C 13 42.662 0.084 . 1 . . . . 79 ASP CB . 17388 1 785 . 1 1 79 79 ASP N N 15 111.642 0.025 . 1 . . . . 79 ASP N . 17388 1 786 . 1 1 80 80 GLY H H 1 7.691 0.005 . . . . . . 80 GLY HN . 17388 1 787 . 1 1 80 80 GLY HA2 H 1 4.438 0.008 . 2 . . . . 80 GLY HA2 . 17388 1 788 . 1 1 80 80 GLY HA3 H 1 3.698 0.005 . 2 . . . . 80 GLY HA3 . 17388 1 789 . 1 1 80 80 GLY C C 13 166.628 0.000 . 1 . . . . 80 GLY C . 17388 1 790 . 1 1 80 80 GLY CA C 13 45.495 0.081 . 1 . . . . 80 GLY CA . 17388 1 791 . 1 1 80 80 GLY N N 15 109.095 0.042 . 1 . . . . 80 GLY N . 17388 1 792 . 1 1 81 81 ALA H H 1 7.718 0.005 . . . . . . 81 ALA HN . 17388 1 793 . 1 1 81 81 ALA HA H 1 4.724 0.006 . 1 . . . . 81 ALA HA . 17388 1 794 . 1 1 81 81 ALA HB1 H 1 1.224 0.004 . 1 . . . . 81 ALA MB . 17388 1 795 . 1 1 81 81 ALA HB2 H 1 1.224 0.004 . 1 . . . . 81 ALA MB . 17388 1 796 . 1 1 81 81 ALA HB3 H 1 1.224 0.004 . 1 . . . . 81 ALA MB . 17388 1 797 . 1 1 81 81 ALA C C 13 172.644 0.000 . 1 . . . . 81 ALA C . 17388 1 798 . 1 1 81 81 ALA CA C 13 50.832 0.088 . 1 . . . . 81 ALA CA . 17388 1 799 . 1 1 81 81 ALA CB C 13 23.960 0.067 . 1 . . . . 81 ALA CB . 17388 1 800 . 1 1 81 81 ALA N N 15 117.261 0.016 . 1 . . . . 81 ALA N . 17388 1 801 . 1 1 82 82 ASP H H 1 8.499 0.005 . . . . . . 82 ASP HN . 17388 1 802 . 1 1 82 82 ASP HA H 1 4.939 0.006 . 1 . . . . 82 ASP HA . 17388 1 803 . 1 1 82 82 ASP HB2 H 1 2.453 0.007 . 2 . . . . 82 ASP HB2 . 17388 1 804 . 1 1 82 82 ASP HB3 H 1 2.060 0.005 . 2 . . . . 82 ASP HB3 . 17388 1 805 . 1 1 82 82 ASP C C 13 170.488 0.000 . 1 . . . . 82 ASP C . 17388 1 806 . 1 1 82 82 ASP CA C 13 55.229 0.104 . 1 . . . . 82 ASP CA . 17388 1 807 . 1 1 82 82 ASP CB C 13 40.470 0.094 . 1 . . . . 82 ASP CB . 17388 1 808 . 1 1 82 82 ASP N N 15 119.878 0.037 . 1 . . . . 82 ASP N . 17388 1 809 . 1 1 83 83 VAL H H 1 8.563 0.005 . . . . . . 83 VAL HN . 17388 1 810 . 1 1 83 83 VAL HA H 1 4.965 0.008 . 1 . . . . 83 VAL HA . 17388 1 811 . 1 1 83 83 VAL HB H 1 2.597 0.005 . 1 . . . . 83 VAL HB . 17388 1 812 . 1 1 83 83 VAL HG11 H 1 1.066 0.007 . 2 . . . . 83 VAL MG1 . 17388 1 813 . 1 1 83 83 VAL HG12 H 1 1.066 0.007 . 2 . . . . 83 VAL MG1 . 17388 1 814 . 1 1 83 83 VAL HG13 H 1 1.066 0.007 . 2 . . . . 83 VAL MG1 . 17388 1 815 . 1 1 83 83 VAL HG21 H 1 0.837 0.011 . 2 . . . . 83 VAL MG2 . 17388 1 816 . 1 1 83 83 VAL HG22 H 1 0.837 0.011 . 2 . . . . 83 VAL MG2 . 17388 1 817 . 1 1 83 83 VAL HG23 H 1 0.837 0.011 . 2 . . . . 83 VAL MG2 . 17388 1 818 . 1 1 83 83 VAL C C 13 171.821 0.000 . 1 . . . . 83 VAL C . 17388 1 819 . 1 1 83 83 VAL CA C 13 60.989 0.113 . 1 . . . . 83 VAL CA . 17388 1 820 . 1 1 83 83 VAL CB C 13 32.413 0.126 . 1 . . . . 83 VAL CB . 17388 1 821 . 1 1 83 83 VAL CG1 C 13 22.659 0.089 . 2 . . . . 83 VAL CG1 . 17388 1 822 . 1 1 83 83 VAL CG2 C 13 21.722 0.059 . 2 . . . . 83 VAL CG2 . 17388 1 823 . 1 1 83 83 VAL N N 15 125.692 0.071 . 1 . . . . 83 VAL N . 17388 1 824 . 1 1 84 84 TYR H H 1 9.743 0.005 . . . . . . 84 TYR HN . 17388 1 825 . 1 1 84 84 TYR HA H 1 4.814 0.014 . 1 . . . . 84 TYR HA . 17388 1 826 . 1 1 84 84 TYR HB2 H 1 2.761 0.007 . 2 . . . . 84 TYR HB2 . 17388 1 827 . 1 1 84 84 TYR HB3 H 1 2.096 0.009 . 2 . . . . 84 TYR HB3 . 17388 1 828 . 1 1 84 84 TYR C C 13 169.587 0.000 . 1 . . . . 84 TYR C . 17388 1 829 . 1 1 84 84 TYR CA C 13 57.356 0.137 . 1 . . . . 84 TYR CA . 17388 1 830 . 1 1 84 84 TYR CB C 13 44.434 0.051 . 1 . . . . 84 TYR CB . 17388 1 831 . 1 1 84 84 TYR N N 15 128.160 0.021 . 1 . . . . 84 TYR N . 17388 1 832 . 1 1 85 85 SER H H 1 6.715 0.015 . . . . . . 85 SER HN . 17388 1 833 . 1 1 85 85 SER HA H 1 5.283 0.008 . 1 . . . . 85 SER HA . 17388 1 834 . 1 1 85 85 SER HB2 H 1 3.683 0.012 . 2 . . . . 85 SER HB2 . 17388 1 835 . 1 1 85 85 SER HB3 H 1 3.545 0.014 . 2 . . . . 85 SER HB3 . 17388 1 836 . 1 1 85 85 SER C C 13 172.017 0.000 . 1 . . . . 85 SER C . 17388 1 837 . 1 1 85 85 SER CA C 13 52.437 0.138 . 1 . . . . 85 SER CA . 17388 1 838 . 1 1 85 85 SER CB C 13 64.856 0.079 . 1 . . . . 85 SER CB . 17388 1 839 . 1 1 85 85 SER N N 15 117.491 0.045 . 1 . . . . 85 SER N . 17388 1 840 . 1 1 86 86 PHE H H 1 9.093 0.008 . . . . . . 86 PHE HN . 17388 1 841 . 1 1 86 86 PHE HA H 1 3.757 0.006 . 1 . . . . 86 PHE HA . 17388 1 842 . 1 1 86 86 PHE HB2 H 1 1.595 0.010 . 2 . . . . 86 PHE HB2 . 17388 1 843 . 1 1 86 86 PHE HB3 H 1 1.347 0.008 . 2 . . . . 86 PHE HB3 . 17388 1 844 . 1 1 86 86 PHE HD1 H 1 6.897 0.026 . 1 . . . . 86 PHE HD1 . 17388 1 845 . 1 1 86 86 PHE HD2 H 1 6.897 0.026 . 1 . . . . 86 PHE HD2 . 17388 1 846 . 1 1 86 86 PHE C C 13 174.081 0.000 . 1 . . . . 86 PHE C . 17388 1 847 . 1 1 86 86 PHE CA C 13 59.732 0.136 . 1 . . . . 86 PHE CA . 17388 1 848 . 1 1 86 86 PHE CB C 13 37.079 0.069 . 1 . . . . 86 PHE CB . 17388 1 849 . 1 1 86 86 PHE N N 15 126.999 0.032 . 1 . . . . 86 PHE N . 17388 1 850 . 1 1 87 87 GLN H H 1 6.708 0.009 . . . . . . 87 GLN HN . 17388 1 851 . 1 1 87 87 GLN HA H 1 4.156 0.005 . 1 . . . . 87 GLN HA . 17388 1 852 . 1 1 87 87 GLN HB2 H 1 1.865 0.006 . 2 . . . . 87 GLN HB2 . 17388 1 853 . 1 1 87 87 GLN HB3 H 1 1.761 0.006 . 2 . . . . 87 GLN HB3 . 17388 1 854 . 1 1 87 87 GLN HG2 H 1 2.321 0.011 . 1 . . . . 87 GLN HG2 . 17388 1 855 . 1 1 87 87 GLN HG3 H 1 2.321 0.011 . 1 . . . . 87 GLN HG3 . 17388 1 856 . 1 1 87 87 GLN C C 13 174.488 0.000 . 1 . . . . 87 GLN C . 17388 1 857 . 1 1 87 87 GLN CA C 13 57.872 0.173 . 1 . . . . 87 GLN CA . 17388 1 858 . 1 1 87 87 GLN CB C 13 29.950 0.061 . 1 . . . . 87 GLN CB . 17388 1 859 . 1 1 87 87 GLN CG C 13 33.645 0.048 . 1 . . . . 87 GLN CG . 17388 1 860 . 1 1 87 87 GLN N N 15 114.863 0.027 . 1 . . . . 87 GLN N . 17388 1 861 . 1 1 88 88 GLU H H 1 7.751 0.006 . . . . . . 88 GLU HN . 17388 1 862 . 1 1 88 88 GLU HA H 1 4.105 0.006 . 1 . . . . 88 GLU HA . 17388 1 863 . 1 1 88 88 GLU HB2 H 1 2.384 0.006 . 2 . . . . 88 GLU HB2 . 17388 1 864 . 1 1 88 88 GLU HB3 H 1 1.578 0.009 . 2 . . . . 88 GLU HB3 . 17388 1 865 . 1 1 88 88 GLU HG2 H 1 2.492 0.005 . 2 . . . . 88 GLU HG2 . 17388 1 866 . 1 1 88 88 GLU HG3 H 1 2.260 0.005 . 2 . . . . 88 GLU HG3 . 17388 1 867 . 1 1 88 88 GLU C C 13 171.665 0.000 . 1 . . . . 88 GLU C . 17388 1 868 . 1 1 88 88 GLU CA C 13 56.832 0.106 . 1 . . . . 88 GLU CA . 17388 1 869 . 1 1 88 88 GLU CB C 13 29.486 0.158 . 1 . . . . 88 GLU CB . 17388 1 870 . 1 1 88 88 GLU CG C 13 38.315 0.059 . 1 . . . . 88 GLU CG . 17388 1 871 . 1 1 88 88 GLU N N 15 116.246 0.055 . 1 . . . . 88 GLU N . 17388 1 872 . 1 1 89 89 GLU H H 1 7.772 0.006 . . . . . . 89 GLU HN . 17388 1 873 . 1 1 89 89 GLU HA H 1 3.719 0.008 . 1 . . . . 89 GLU HA . 17388 1 874 . 1 1 89 89 GLU HB2 H 1 2.202 0.006 . 1 . . . . 89 GLU HB2 . 17388 1 875 . 1 1 89 89 GLU HB3 H 1 2.202 0.006 . 1 . . . . 89 GLU HB3 . 17388 1 876 . 1 1 89 89 GLU HG2 H 1 2.195 0.003 . 2 . . . . 89 GLU HG2 . 17388 1 877 . 1 1 89 89 GLU HG3 H 1 2.088 0.004 . 2 . . . . 89 GLU HG3 . 17388 1 878 . 1 1 89 89 GLU C C 13 171.719 0.000 . 1 . . . . 89 GLU C . 17388 1 879 . 1 1 89 89 GLU CA C 13 56.806 0.093 . 1 . . . . 89 GLU CA . 17388 1 880 . 1 1 89 89 GLU CB C 13 26.530 0.105 . 1 . . . . 89 GLU CB . 17388 1 881 . 1 1 89 89 GLU CG C 13 37.436 0.122 . 1 . . . . 89 GLU CG . 17388 1 882 . 1 1 89 89 GLU N N 15 116.876 0.082 . 1 . . . . 89 GLU N . 17388 1 883 . 1 1 90 90 GLU H H 1 6.890 0.036 . . . . . . 90 GLU HN . 17388 1 884 . 1 1 90 90 GLU HA H 1 5.022 0.007 . 1 . . . . 90 GLU HA . 17388 1 885 . 1 1 90 90 GLU HB2 H 1 2.217 0.009 . 2 . . . . 90 GLU HB2 . 17388 1 886 . 1 1 90 90 GLU HB3 H 1 1.789 0.005 . 2 . . . . 90 GLU HB3 . 17388 1 887 . 1 1 90 90 GLU HG2 H 1 2.137 0.010 . 2 . . . . 90 GLU HG2 . 17388 1 888 . 1 1 90 90 GLU HG3 H 1 2.082 0.007 . 2 . . . . 90 GLU HG3 . 17388 1 889 . 1 1 90 90 GLU CA C 13 53.865 0.050 . 1 . . . . 90 GLU CA . 17388 1 890 . 1 1 90 90 GLU CB C 13 31.295 0.058 . 1 . . . . 90 GLU CB . 17388 1 891 . 1 1 90 90 GLU CG C 13 34.216 0.097 . 1 . . . . 90 GLU CG . 17388 1 892 . 1 1 90 90 GLU N N 15 113.161 0.049 . 1 . . . . 90 GLU N . 17388 1 893 . 1 1 91 91 PRO HA H 1 5.313 0.012 . 1 . . . . 91 PRO HA . 17388 1 894 . 1 1 91 91 PRO HB2 H 1 2.688 0.011 . 2 . . . . 91 PRO HB2 . 17388 1 895 . 1 1 91 91 PRO HB3 H 1 2.131 0.006 . 2 . . . . 91 PRO HB3 . 17388 1 896 . 1 1 91 91 PRO HG2 H 1 2.304 0.011 . 1 . . . . 91 PRO HG2 . 17388 1 897 . 1 1 91 91 PRO HG3 H 1 2.304 0.011 . 1 . . . . 91 PRO HG3 . 17388 1 898 . 1 1 91 91 PRO HD2 H 1 4.134 0.008 . 2 . . . . 91 PRO HD2 . 17388 1 899 . 1 1 91 91 PRO HD3 H 1 3.957 0.019 . 2 . . . . 91 PRO HD3 . 17388 1 900 . 1 1 91 91 PRO C C 13 173.743 0.000 . 1 . . . . 91 PRO C . 17388 1 901 . 1 1 91 91 PRO CA C 13 62.637 0.068 . 1 . . . . 91 PRO CA . 17388 1 902 . 1 1 91 91 PRO CB C 13 32.336 0.061 . 1 . . . . 91 PRO CB . 17388 1 903 . 1 1 91 91 PRO CG C 13 28.180 0.063 . 1 . . . . 91 PRO CG . 17388 1 904 . 1 1 91 91 PRO CD C 13 51.408 0.129 . 1 . . . . 91 PRO CD . 17388 1 905 . 1 1 92 92 VAL H H 1 8.259 0.004 . . . . . . 92 VAL HN . 17388 1 906 . 1 1 92 92 VAL HA H 1 5.059 0.006 . 1 . . . . 92 VAL HA . 17388 1 907 . 1 1 92 92 VAL HB H 1 2.131 0.008 . 1 . . . . 92 VAL HB . 17388 1 908 . 1 1 92 92 VAL HG11 H 1 0.892 0.007 . 2 . . . . 92 VAL MG1 . 17388 1 909 . 1 1 92 92 VAL HG12 H 1 0.892 0.007 . 2 . . . . 92 VAL MG1 . 17388 1 910 . 1 1 92 92 VAL HG13 H 1 0.892 0.007 . 2 . . . . 92 VAL MG1 . 17388 1 911 . 1 1 92 92 VAL HG21 H 1 0.575 0.007 . 2 . . . . 92 VAL MG2 . 17388 1 912 . 1 1 92 92 VAL HG22 H 1 0.575 0.007 . 2 . . . . 92 VAL MG2 . 17388 1 913 . 1 1 92 92 VAL HG23 H 1 0.575 0.007 . 2 . . . . 92 VAL MG2 . 17388 1 914 . 1 1 92 92 VAL C C 13 171.287 0.000 . 1 . . . . 92 VAL C . 17388 1 915 . 1 1 92 92 VAL CA C 13 58.912 0.082 . 1 . . . . 92 VAL CA . 17388 1 916 . 1 1 92 92 VAL CB C 13 37.232 0.067 . 1 . . . . 92 VAL CB . 17388 1 917 . 1 1 92 92 VAL CG1 C 13 21.455 0.061 . 2 . . . . 92 VAL CG1 . 17388 1 918 . 1 1 92 92 VAL CG2 C 13 18.517 0.050 . 2 . . . . 92 VAL CG2 . 17388 1 919 . 1 1 92 92 VAL N N 15 113.717 0.060 . 1 . . . . 92 VAL N . 17388 1 920 . 1 1 93 93 LEU H H 1 8.281 0.008 . . . . . . 93 LEU HN . 17388 1 921 . 1 1 93 93 LEU HA H 1 4.699 0.005 . 1 . . . . 93 LEU HA . 17388 1 922 . 1 1 93 93 LEU HB2 H 1 1.438 0.003 . 1 . . . . 93 LEU HB2 . 17388 1 923 . 1 1 93 93 LEU HB3 H 1 1.438 0.003 . 1 . . . . 93 LEU HB3 . 17388 1 924 . 1 1 93 93 LEU HG H 1 1.433 0.008 . 1 . . . . 93 LEU HG . 17388 1 925 . 1 1 93 93 LEU HD11 H 1 0.873 0.010 . 2 . . . . 93 LEU MD1 . 17388 1 926 . 1 1 93 93 LEU HD12 H 1 0.873 0.010 . 2 . . . . 93 LEU MD1 . 17388 1 927 . 1 1 93 93 LEU HD13 H 1 0.873 0.010 . 2 . . . . 93 LEU MD1 . 17388 1 928 . 1 1 93 93 LEU HD21 H 1 0.901 0.007 . 2 . . . . 93 LEU MD2 . 17388 1 929 . 1 1 93 93 LEU HD22 H 1 0.901 0.007 . 2 . . . . 93 LEU MD2 . 17388 1 930 . 1 1 93 93 LEU HD23 H 1 0.901 0.007 . 2 . . . . 93 LEU MD2 . 17388 1 931 . 1 1 93 93 LEU C C 13 173.531 0.000 . 1 . . . . 93 LEU C . 17388 1 932 . 1 1 93 93 LEU CA C 13 53.355 0.102 . 1 . . . . 93 LEU CA . 17388 1 933 . 1 1 93 93 LEU CB C 13 43.778 0.072 . 1 . . . . 93 LEU CB . 17388 1 934 . 1 1 93 93 LEU CG C 13 27.278 0.056 . 1 . . . . 93 LEU CG . 17388 1 935 . 1 1 93 93 LEU CD1 C 13 24.756 0.084 . 2 . . . . 93 LEU CD1 . 17388 1 936 . 1 1 93 93 LEU CD2 C 13 23.397 0.104 . 2 . . . . 93 LEU CD2 . 17388 1 937 . 1 1 93 93 LEU N N 15 118.493 0.035 . 1 . . . . 93 LEU N . 17388 1 938 . 1 1 94 94 ASP H H 1 9.490 0.006 . . . . . . 94 ASP HN . 17388 1 939 . 1 1 94 94 ASP HA H 1 5.182 0.010 . 1 . . . . 94 ASP HA . 17388 1 940 . 1 1 94 94 ASP HB2 H 1 3.158 0.009 . 2 . . . . 94 ASP HB2 . 17388 1 941 . 1 1 94 94 ASP HB3 H 1 2.347 0.004 . 2 . . . . 94 ASP HB3 . 17388 1 942 . 1 1 94 94 ASP CA C 13 48.868 0.097 . 1 . . . . 94 ASP CA . 17388 1 943 . 1 1 94 94 ASP CB C 13 40.768 0.048 . 1 . . . . 94 ASP CB . 17388 1 944 . 1 1 94 94 ASP N N 15 120.082 0.028 . 1 . . . . 94 ASP N . 17388 1 945 . 1 1 95 95 PRO HA H 1 4.321 0.007 . 1 . . . . 95 PRO HA . 17388 1 946 . 1 1 95 95 PRO HB2 H 1 2.313 0.005 . 2 . . . . 95 PRO HB2 . 17388 1 947 . 1 1 95 95 PRO HB3 H 1 1.300 0.010 . 2 . . . . 95 PRO HB3 . 17388 1 948 . 1 1 95 95 PRO HG2 H 1 1.910 0.007 . 2 . . . . 95 PRO HG2 . 17388 1 949 . 1 1 95 95 PRO HG3 H 1 1.875 0.008 . 2 . . . . 95 PRO HG3 . 17388 1 950 . 1 1 95 95 PRO HD2 H 1 3.925 0.007 . 2 . . . . 95 PRO HD2 . 17388 1 951 . 1 1 95 95 PRO HD3 H 1 3.725 0.007 . 2 . . . . 95 PRO HD3 . 17388 1 952 . 1 1 95 95 PRO C C 13 173.053 0.000 . 1 . . . . 95 PRO C . 17388 1 953 . 1 1 95 95 PRO CA C 13 63.931 0.077 . 1 . . . . 95 PRO CA . 17388 1 954 . 1 1 95 95 PRO CB C 13 32.217 0.044 . 1 . . . . 95 PRO CB . 17388 1 955 . 1 1 95 95 PRO CG C 13 27.234 0.079 . 1 . . . . 95 PRO CG . 17388 1 956 . 1 1 95 95 PRO CD C 13 51.348 0.187 . 1 . . . . 95 PRO CD . 17388 1 957 . 1 1 96 96 HIS H H 1 7.559 0.016 . . . . . . 96 HIS HN . 17388 1 958 . 1 1 96 96 HIS HA H 1 4.907 0.012 . 1 . . . . 96 HIS HA . 17388 1 959 . 1 1 96 96 HIS HB2 H 1 2.808 0.006 . 2 . . . . 96 HIS HB2 . 17388 1 960 . 1 1 96 96 HIS HB3 H 1 2.259 0.005 . 2 . . . . 96 HIS HB3 . 17388 1 961 . 1 1 96 96 HIS C C 13 171.711 0.000 . 1 . . . . 96 HIS C . 17388 1 962 . 1 1 96 96 HIS CA C 13 53.446 0.145 . 1 . . . . 96 HIS CA . 17388 1 963 . 1 1 96 96 HIS CB C 13 29.405 0.113 . 1 . . . . 96 HIS CB . 17388 1 964 . 1 1 96 96 HIS N N 15 115.509 0.094 . 1 . . . . 96 HIS N . 17388 1 965 . 1 1 97 97 LEU H H 1 7.210 0.010 . . . . . . 97 LEU HN . 17388 1 966 . 1 1 97 97 LEU HA H 1 4.073 0.011 . 1 . . . . 97 LEU HA . 17388 1 967 . 1 1 97 97 LEU HB2 H 1 2.063 0.011 . 2 . . . . 97 LEU HB2 . 17388 1 968 . 1 1 97 97 LEU HB3 H 1 1.790 0.005 . 2 . . . . 97 LEU HB3 . 17388 1 969 . 1 1 97 97 LEU HG H 1 1.746 0.011 . 1 . . . . 97 LEU HG . 17388 1 970 . 1 1 97 97 LEU HD11 H 1 0.962 0.008 . 2 . . . . 97 LEU MD1 . 17388 1 971 . 1 1 97 97 LEU HD12 H 1 0.962 0.008 . 2 . . . . 97 LEU MD1 . 17388 1 972 . 1 1 97 97 LEU HD13 H 1 0.962 0.008 . 2 . . . . 97 LEU MD1 . 17388 1 973 . 1 1 97 97 LEU HD21 H 1 1.043 0.005 . 2 . . . . 97 LEU MD2 . 17388 1 974 . 1 1 97 97 LEU HD22 H 1 1.043 0.005 . 2 . . . . 97 LEU MD2 . 17388 1 975 . 1 1 97 97 LEU HD23 H 1 1.043 0.005 . 2 . . . . 97 LEU MD2 . 17388 1 976 . 1 1 97 97 LEU C C 13 174.530 0.000 . 1 . . . . 97 LEU C . 17388 1 977 . 1 1 97 97 LEU CA C 13 58.904 0.088 . 1 . . . . 97 LEU CA . 17388 1 978 . 1 1 97 97 LEU CB C 13 41.594 0.130 . 1 . . . . 97 LEU CB . 17388 1 979 . 1 1 97 97 LEU CG C 13 26.546 0.053 . 1 . . . . 97 LEU CG . 17388 1 980 . 1 1 97 97 LEU CD1 C 13 26.614 0.104 . 2 . . . . 97 LEU CD1 . 17388 1 981 . 1 1 97 97 LEU CD2 C 13 23.318 0.064 . 2 . . . . 97 LEU CD2 . 17388 1 982 . 1 1 97 97 LEU N N 15 121.634 0.040 . 1 . . . . 97 LEU N . 17388 1 983 . 1 1 98 98 ALA H H 1 8.770 0.007 . . . . . . 98 ALA HN . 17388 1 984 . 1 1 98 98 ALA HA H 1 4.106 0.004 . 1 . . . . 98 ALA HA . 17388 1 985 . 1 1 98 98 ALA HB1 H 1 1.472 0.006 . 1 . . . . 98 ALA MB . 17388 1 986 . 1 1 98 98 ALA HB2 H 1 1.472 0.006 . 1 . . . . 98 ALA MB . 17388 1 987 . 1 1 98 98 ALA HB3 H 1 1.472 0.006 . 1 . . . . 98 ALA MB . 17388 1 988 . 1 1 98 98 ALA C C 13 178.292 0.000 . 1 . . . . 98 ALA C . 17388 1 989 . 1 1 98 98 ALA CA C 13 56.303 0.115 . 1 . . . . 98 ALA CA . 17388 1 990 . 1 1 98 98 ALA CB C 13 17.310 0.055 . 1 . . . . 98 ALA CB . 17388 1 991 . 1 1 98 98 ALA N N 15 118.386 0.031 . 1 . . . . 98 ALA N . 17388 1 992 . 1 1 99 99 LYS H H 1 7.784 0.007 . . . . . . 99 LYS HN . 17388 1 993 . 1 1 99 99 LYS HA H 1 4.205 0.008 . 1 . . . . 99 LYS HA . 17388 1 994 . 1 1 99 99 LYS HB2 H 1 1.925 0.007 . 2 . . . . 99 LYS HB2 . 17388 1 995 . 1 1 99 99 LYS HB3 H 1 1.838 0.006 . 2 . . . . 99 LYS HB3 . 17388 1 996 . 1 1 99 99 LYS HG2 H 1 1.542 0.007 . 2 . . . . 99 LYS HG2 . 17388 1 997 . 1 1 99 99 LYS HG3 H 1 1.412 0.009 . 2 . . . . 99 LYS HG3 . 17388 1 998 . 1 1 99 99 LYS HD2 H 1 1.673 0.008 . 2 . . . . 99 LYS HD2 . 17388 1 999 . 1 1 99 99 LYS HD3 H 1 1.634 0.003 . 2 . . . . 99 LYS HD3 . 17388 1 1000 . 1 1 99 99 LYS HE2 H 1 2.978 0.007 . 1 . . . . 99 LYS HE2 . 17388 1 1001 . 1 1 99 99 LYS HE3 H 1 2.978 0.007 . 1 . . . . 99 LYS HE3 . 17388 1 1002 . 1 1 99 99 LYS C C 13 176.617 0.000 . 1 . . . . 99 LYS C . 17388 1 1003 . 1 1 99 99 LYS CA C 13 59.257 0.102 . 1 . . . . 99 LYS CA . 17388 1 1004 . 1 1 99 99 LYS CB C 13 32.223 0.033 . 1 . . . . 99 LYS CB . 17388 1 1005 . 1 1 99 99 LYS CG C 13 24.799 0.047 . 1 . . . . 99 LYS CG . 17388 1 1006 . 1 1 99 99 LYS CD C 13 29.526 0.041 . 1 . . . . 99 LYS CD . 17388 1 1007 . 1 1 99 99 LYS CE C 13 42.110 0.157 . 1 . . . . 99 LYS CE . 17388 1 1008 . 1 1 99 99 LYS N N 15 121.067 0.034 . 1 . . . . 99 LYS N . 17388 1 1009 . 1 1 100 100 HIS H H 1 8.639 0.007 . . . . . . 100 HIS HN . 17388 1 1010 . 1 1 100 100 HIS HA H 1 5.252 0.010 . 1 . . . . 100 HIS HA . 17388 1 1011 . 1 1 100 100 HIS HB2 H 1 3.333 0.011 . 2 . . . . 100 HIS HB2 . 17388 1 1012 . 1 1 100 100 HIS HB3 H 1 3.116 0.005 . 2 . . . . 100 HIS HB3 . 17388 1 1013 . 1 1 100 100 HIS C C 13 175.991 0.000 . 1 . . . . 100 HIS C . 17388 1 1014 . 1 1 100 100 HIS CA C 13 56.478 0.149 . 1 . . . . 100 HIS CA . 17388 1 1015 . 1 1 100 100 HIS CB C 13 30.611 0.153 . 1 . . . . 100 HIS CB . 17388 1 1016 . 1 1 100 100 HIS N N 15 120.346 0.028 . 1 . . . . 100 HIS N . 17388 1 1017 . 1 1 101 101 LEU H H 1 9.124 0.008 . . . . . . 101 LEU HN . 17388 1 1018 . 1 1 101 101 LEU HA H 1 4.407 0.007 . 1 . . . . 101 LEU HA . 17388 1 1019 . 1 1 101 101 LEU HB2 H 1 2.044 0.007 . 2 . . . . 101 LEU HB2 . 17388 1 1020 . 1 1 101 101 LEU HB3 H 1 1.486 0.006 . 2 . . . . 101 LEU HB3 . 17388 1 1021 . 1 1 101 101 LEU HG H 1 1.999 0.004 . 1 . . . . 101 LEU HG . 17388 1 1022 . 1 1 101 101 LEU HD11 H 1 0.928 0.006 . 2 . . . . 101 LEU MD1 . 17388 1 1023 . 1 1 101 101 LEU HD12 H 1 0.928 0.006 . 2 . . . . 101 LEU MD1 . 17388 1 1024 . 1 1 101 101 LEU HD13 H 1 0.928 0.006 . 2 . . . . 101 LEU MD1 . 17388 1 1025 . 1 1 101 101 LEU HD21 H 1 0.843 0.013 . 2 . . . . 101 LEU MD2 . 17388 1 1026 . 1 1 101 101 LEU HD22 H 1 0.843 0.013 . 2 . . . . 101 LEU MD2 . 17388 1 1027 . 1 1 101 101 LEU HD23 H 1 0.843 0.013 . 2 . . . . 101 LEU MD2 . 17388 1 1028 . 1 1 101 101 LEU C C 13 177.009 0.000 . 1 . . . . 101 LEU C . 17388 1 1029 . 1 1 101 101 LEU CA C 13 57.340 0.101 . 1 . . . . 101 LEU CA . 17388 1 1030 . 1 1 101 101 LEU CB C 13 40.702 0.082 . 1 . . . . 101 LEU CB . 17388 1 1031 . 1 1 101 101 LEU CG C 13 26.525 0.125 . 1 . . . . 101 LEU CG . 17388 1 1032 . 1 1 101 101 LEU CD1 C 13 27.491 0.114 . 2 . . . . 101 LEU CD1 . 17388 1 1033 . 1 1 101 101 LEU CD2 C 13 23.098 0.211 . 2 . . . . 101 LEU CD2 . 17388 1 1034 . 1 1 101 101 LEU N N 15 118.038 0.049 . 1 . . . . 101 LEU N . 17388 1 1035 . 1 1 102 102 ALA H H 1 8.401 0.010 . . . . . . 102 ALA HN . 17388 1 1036 . 1 1 102 102 ALA HA H 1 4.316 0.008 . 1 . . . . 102 ALA HA . 17388 1 1037 . 1 1 102 102 ALA HB1 H 1 1.639 0.011 . 1 . . . . 102 ALA MB . 17388 1 1038 . 1 1 102 102 ALA HB2 H 1 1.639 0.011 . 1 . . . . 102 ALA MB . 17388 1 1039 . 1 1 102 102 ALA HB3 H 1 1.639 0.011 . 1 . . . . 102 ALA MB . 17388 1 1040 . 1 1 102 102 ALA C C 13 178.406 0.000 . 1 . . . . 102 ALA C . 17388 1 1041 . 1 1 102 102 ALA CA C 13 54.992 0.107 . 1 . . . . 102 ALA CA . 17388 1 1042 . 1 1 102 102 ALA CB C 13 17.630 0.128 . 1 . . . . 102 ALA CB . 17388 1 1043 . 1 1 102 102 ALA N N 15 124.955 0.033 . 1 . . . . 102 ALA N . 17388 1 1044 . 1 1 103 103 HIS H H 1 7.693 0.007 . . . . . . 103 HIS HN . 17388 1 1045 . 1 1 103 103 HIS HA H 1 4.090 0.006 . 1 . . . . 103 HIS HA . 17388 1 1046 . 1 1 103 103 HIS HB2 H 1 3.233 0.006 . 2 . . . . 103 HIS HB2 . 17388 1 1047 . 1 1 103 103 HIS HB3 H 1 2.761 0.007 . 2 . . . . 103 HIS HB3 . 17388 1 1048 . 1 1 103 103 HIS C C 13 172.359 0.000 . 1 . . . . 103 HIS C . 17388 1 1049 . 1 1 103 103 HIS CA C 13 59.093 0.115 . 1 . . . . 103 HIS CA . 17388 1 1050 . 1 1 103 103 HIS CB C 13 29.592 0.132 . 1 . . . . 103 HIS CB . 17388 1 1051 . 1 1 103 103 HIS N N 15 118.526 0.156 . 1 . . . . 103 HIS N . 17388 1 1052 . 1 1 104 104 PHE H H 1 7.340 0.017 . . . . . . 104 PHE HN . 17388 1 1053 . 1 1 104 104 PHE HA H 1 5.069 0.007 . 1 . . . . 104 PHE HA . 17388 1 1054 . 1 1 104 104 PHE HB2 H 1 3.841 0.008 . 2 . . . . 104 PHE HB2 . 17388 1 1055 . 1 1 104 104 PHE HB3 H 1 2.630 0.007 . 2 . . . . 104 PHE HB3 . 17388 1 1056 . 1 1 104 104 PHE C C 13 171.790 0.000 . 1 . . . . 104 PHE C . 17388 1 1057 . 1 1 104 104 PHE CA C 13 57.424 0.123 . 1 . . . . 104 PHE CA . 17388 1 1058 . 1 1 104 104 PHE CB C 13 39.967 0.078 . 1 . . . . 104 PHE CB . 17388 1 1059 . 1 1 104 104 PHE N N 15 113.039 0.045 . 1 . . . . 104 PHE N . 17388 1 1060 . 1 1 105 105 GLY H H 1 8.023 0.006 . . . . . . 105 GLY HN . 17388 1 1061 . 1 1 105 105 GLY HA2 H 1 4.252 0.009 . 2 . . . . 105 GLY HA2 . 17388 1 1062 . 1 1 105 105 GLY HA3 H 1 3.858 0.008 . 2 . . . . 105 GLY HA3 . 17388 1 1063 . 1 1 105 105 GLY C C 13 171.157 0.000 . 1 . . . . 105 GLY C . 17388 1 1064 . 1 1 105 105 GLY CA C 13 45.788 0.056 . 1 . . . . 105 GLY CA . 17388 1 1065 . 1 1 105 105 GLY N N 15 105.967 0.028 . 1 . . . . 105 GLY N . 17388 1 1066 . 1 1 106 106 ILE H H 1 7.575 0.008 . . . . . . 106 ILE HN . 17388 1 1067 . 1 1 106 106 ILE HA H 1 4.155 0.006 . 1 . . . . 106 ILE HA . 17388 1 1068 . 1 1 106 106 ILE HB H 1 1.717 0.006 . 1 . . . . 106 ILE HB . 17388 1 1069 . 1 1 106 106 ILE HG12 H 1 1.496 0.004 . 2 . . . . 106 ILE HG12 . 17388 1 1070 . 1 1 106 106 ILE HG13 H 1 1.025 0.011 . 2 . . . . 106 ILE HG13 . 17388 1 1071 . 1 1 106 106 ILE HG21 H 1 0.807 0.009 . 1 . . . . 106 ILE MG . 17388 1 1072 . 1 1 106 106 ILE HG22 H 1 0.807 0.009 . 1 . . . . 106 ILE MG . 17388 1 1073 . 1 1 106 106 ILE HG23 H 1 0.807 0.009 . 1 . . . . 106 ILE MG . 17388 1 1074 . 1 1 106 106 ILE HD11 H 1 0.723 0.007 . 1 . . . . 106 ILE MD . 17388 1 1075 . 1 1 106 106 ILE HD12 H 1 0.723 0.007 . 1 . . . . 106 ILE MD . 17388 1 1076 . 1 1 106 106 ILE HD13 H 1 0.723 0.007 . 1 . . . . 106 ILE MD . 17388 1 1077 . 1 1 106 106 ILE C C 13 171.237 0.000 . 1 . . . . 106 ILE C . 17388 1 1078 . 1 1 106 106 ILE CA C 13 60.626 0.125 . 1 . . . . 106 ILE CA . 17388 1 1079 . 1 1 106 106 ILE CB C 13 38.832 0.087 . 1 . . . . 106 ILE CB . 17388 1 1080 . 1 1 106 106 ILE CG1 C 13 26.972 0.083 . 1 . . . . 106 ILE CG1 . 17388 1 1081 . 1 1 106 106 ILE CG2 C 13 16.913 0.029 . 1 . . . . 106 ILE CG2 . 17388 1 1082 . 1 1 106 106 ILE CD1 C 13 13.897 0.033 . 1 . . . . 106 ILE CD1 . 17388 1 1083 . 1 1 106 106 ILE N N 15 121.208 0.042 . 1 . . . . 106 ILE N . 17388 1 1084 . 1 1 107 107 ASP H H 1 8.859 0.005 . . . . . . 107 ASP HN . 17388 1 1085 . 1 1 107 107 ASP HA H 1 4.714 0.005 . 1 . . . . 107 ASP HA . 17388 1 1086 . 1 1 107 107 ASP HB2 H 1 2.962 0.008 . 2 . . . . 107 ASP HB2 . 17388 1 1087 . 1 1 107 107 ASP HB3 H 1 2.594 0.008 . 2 . . . . 107 ASP HB3 . 17388 1 1088 . 1 1 107 107 ASP C C 13 173.285 0.000 . 1 . . . . 107 ASP C . 17388 1 1089 . 1 1 107 107 ASP CA C 13 51.770 0.050 . 1 . . . . 107 ASP CA . 17388 1 1090 . 1 1 107 107 ASP CB C 13 40.935 0.121 . 1 . . . . 107 ASP CB . 17388 1 1091 . 1 1 107 107 ASP N N 15 128.582 0.035 . 1 . . . . 107 ASP N . 17388 1 1092 . 1 1 108 108 MET H H 1 8.310 0.006 . . . . . . 108 MET HN . 17388 1 1093 . 1 1 108 108 MET HA H 1 3.792 0.008 . 1 . . . . 108 MET HA . 17388 1 1094 . 1 1 108 108 MET HB2 H 1 2.046 0.011 . 2 . . . . 108 MET HB2 . 17388 1 1095 . 1 1 108 108 MET HB3 H 1 1.931 0.008 . 2 . . . . 108 MET HB3 . 17388 1 1096 . 1 1 108 108 MET HG2 H 1 2.418 0.011 . 1 . . . . 108 MET HG2 . 17388 1 1097 . 1 1 108 108 MET HG3 H 1 2.418 0.011 . 1 . . . . 108 MET HG3 . 17388 1 1098 . 1 1 108 108 MET C C 13 172.414 0.000 . 1 . . . . 108 MET C . 17388 1 1099 . 1 1 108 108 MET CA C 13 58.832 0.099 . 1 . . . . 108 MET CA . 17388 1 1100 . 1 1 108 108 MET CB C 13 34.011 0.102 . 1 . . . . 108 MET CB . 17388 1 1101 . 1 1 108 108 MET CG C 13 31.665 0.076 . 1 . . . . 108 MET CG . 17388 1 1102 . 1 1 108 108 MET N N 15 123.217 0.017 . 1 . . . . 108 MET N . 17388 1 1103 . 1 1 109 109 LEU H H 1 7.821 0.008 . . . . . . 109 LEU HN . 17388 1 1104 . 1 1 109 109 LEU HA H 1 4.042 0.005 . 1 . . . . 109 LEU HA . 17388 1 1105 . 1 1 109 109 LEU HB2 H 1 1.620 0.005 . 2 . . . . 109 LEU HB2 . 17388 1 1106 . 1 1 109 109 LEU HB3 H 1 1.261 0.005 . 2 . . . . 109 LEU HB3 . 17388 1 1107 . 1 1 109 109 LEU HG H 1 1.596 0.008 . 1 . . . . 109 LEU HG . 17388 1 1108 . 1 1 109 109 LEU HD11 H 1 0.947 0.012 . 2 . . . . 109 LEU MD1 . 17388 1 1109 . 1 1 109 109 LEU HD12 H 1 0.947 0.012 . 2 . . . . 109 LEU MD1 . 17388 1 1110 . 1 1 109 109 LEU HD13 H 1 0.947 0.012 . 2 . . . . 109 LEU MD1 . 17388 1 1111 . 1 1 109 109 LEU HD21 H 1 0.890 0.005 . 2 . . . . 109 LEU MD2 . 17388 1 1112 . 1 1 109 109 LEU HD22 H 1 0.890 0.005 . 2 . . . . 109 LEU MD2 . 17388 1 1113 . 1 1 109 109 LEU HD23 H 1 0.890 0.005 . 2 . . . . 109 LEU MD2 . 17388 1 1114 . 1 1 109 109 LEU C C 13 174.508 0.000 . 1 . . . . 109 LEU C . 17388 1 1115 . 1 1 109 109 LEU CA C 13 55.962 0.110 . 1 . . . . 109 LEU CA . 17388 1 1116 . 1 1 109 109 LEU CB C 13 41.376 0.093 . 1 . . . . 109 LEU CB . 17388 1 1117 . 1 1 109 109 LEU CG C 13 27.427 0.072 . 1 . . . . 109 LEU CG . 17388 1 1118 . 1 1 109 109 LEU CD1 C 13 24.676 0.111 . 2 . . . . 109 LEU CD1 . 17388 1 1119 . 1 1 109 109 LEU CD2 C 13 23.043 0.076 . 2 . . . . 109 LEU CD2 . 17388 1 1120 . 1 1 109 109 LEU N N 15 114.681 0.079 . 1 . . . . 109 LEU N . 17388 1 1121 . 1 1 110 110 HIS H H 1 7.469 0.006 . . . . . . 110 HIS HN . 17388 1 1122 . 1 1 110 110 HIS HA H 1 4.855 0.003 . 1 . . . . 110 HIS HA . 17388 1 1123 . 1 1 110 110 HIS HB2 H 1 3.434 0.017 . 2 . . . . 110 HIS HB2 . 17388 1 1124 . 1 1 110 110 HIS HB3 H 1 2.870 0.007 . 2 . . . . 110 HIS HB3 . 17388 1 1125 . 1 1 110 110 HIS C C 13 171.324 0.000 . 1 . . . . 110 HIS C . 17388 1 1126 . 1 1 110 110 HIS CA C 13 55.032 0.137 . 1 . . . . 110 HIS CA . 17388 1 1127 . 1 1 110 110 HIS CB C 13 29.217 0.133 . 1 . . . . 110 HIS CB . 17388 1 1128 . 1 1 110 110 HIS N N 15 115.868 0.124 . 1 . . . . 110 HIS N . 17388 1 1129 . 1 1 111 111 MET H H 1 7.937 0.010 . . . . . . 111 MET HN . 17388 1 1130 . 1 1 111 111 MET HA H 1 4.586 0.006 . 1 . . . . 111 MET HA . 17388 1 1131 . 1 1 111 111 MET HB2 H 1 2.039 0.009 . 2 . . . . 111 MET HB2 . 17388 1 1132 . 1 1 111 111 MET HB3 H 1 1.941 0.013 . 2 . . . . 111 MET HB3 . 17388 1 1133 . 1 1 111 111 MET HG2 H 1 2.578 0.011 . 2 . . . . 111 MET HG2 . 17388 1 1134 . 1 1 111 111 MET HG3 H 1 2.480 0.011 . 2 . . . . 111 MET HG3 . 17388 1 1135 . 1 1 111 111 MET C C 13 173.039 0.000 . 1 . . . . 111 MET C . 17388 1 1136 . 1 1 111 111 MET CA C 13 55.510 0.153 . 1 . . . . 111 MET CA . 17388 1 1137 . 1 1 111 111 MET CB C 13 32.543 0.159 . 1 . . . . 111 MET CB . 17388 1 1138 . 1 1 111 111 MET CG C 13 32.414 0.038 . 1 . . . . 111 MET CG . 17388 1 1139 . 1 1 111 111 MET N N 15 121.272 0.042 . 1 . . . . 111 MET N . 17388 1 1140 . 1 1 112 112 HIS H H 1 8.570 0.015 . . . . . . 112 HIS HN . 17388 1 1141 . 1 1 112 112 HIS HA H 1 4.793 0.004 . 1 . . . . 112 HIS HA . 17388 1 1142 . 1 1 112 112 HIS HB2 H 1 3.336 0.007 . 2 . . . . 112 HIS HB2 . 17388 1 1143 . 1 1 112 112 HIS HB3 H 1 3.222 0.008 . 2 . . . . 112 HIS HB3 . 17388 1 1144 . 1 1 112 112 HIS C C 13 172.289 0.000 . 1 . . . . 112 HIS C . 17388 1 1145 . 1 1 112 112 HIS CA C 13 55.769 0.052 . 1 . . . . 112 HIS CA . 17388 1 1146 . 1 1 112 112 HIS CB C 13 29.856 0.066 . 1 . . . . 112 HIS CB . 17388 1 1147 . 1 1 112 112 HIS N N 15 119.094 0.069 . 1 . . . . 112 HIS N . 17388 1 1148 . 1 1 113 113 GLY H H 1 8.458 0.010 . . . . . . 113 GLY HN . 17388 1 1149 . 1 1 113 113 GLY HA2 H 1 4.051 0.006 . 1 . . . . 113 GLY HA2 . 17388 1 1150 . 1 1 113 113 GLY HA3 H 1 4.051 0.006 . 1 . . . . 113 GLY HA3 . 17388 1 1151 . 1 1 113 113 GLY C C 13 170.581 0.000 . 1 . . . . 113 GLY C . 17388 1 1152 . 1 1 113 113 GLY CA C 13 45.376 0.057 . 1 . . . . 113 GLY CA . 17388 1 1153 . 1 1 113 113 GLY N N 15 110.433 0.023 . 1 . . . . 113 GLY N . 17388 1 1154 . 1 1 114 114 THR H H 1 7.809 0.007 . . . . . . 114 THR HN . 17388 1 1155 . 1 1 114 114 THR HA H 1 4.235 0.002 . 1 . . . . 114 THR HA . 17388 1 1156 . 1 1 114 114 THR HB H 1 4.305 0.006 . 1 . . . . 114 THR HB . 17388 1 1157 . 1 1 114 114 THR HG21 H 1 1.212 0.007 . 1 . . . . 114 THR MG . 17388 1 1158 . 1 1 114 114 THR HG22 H 1 1.212 0.007 . 1 . . . . 114 THR MG . 17388 1 1159 . 1 1 114 114 THR HG23 H 1 1.212 0.007 . 1 . . . . 114 THR MG . 17388 1 1160 . 1 1 114 114 THR CA C 13 63.270 0.012 . 1 . . . . 114 THR CA . 17388 1 1161 . 1 1 114 114 THR CB C 13 71.012 0.267 . 1 . . . . 114 THR CB . 17388 1 1162 . 1 1 114 114 THR CG2 C 13 21.900 0.048 . 1 . . . . 114 THR CG2 . 17388 1 1163 . 1 1 114 114 THR N N 15 118.762 0.022 . 1 . . . . 114 THR N . 17388 1 stop_ save_