data_17918 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17918 _Entry.Title ; Solution structure of the TbPIN1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-06 _Entry.Accession_date 2011-09-06 _Entry.Last_release_date 2012-08-21 _Entry.Original_release_date 2012-08-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lifang Sun . F. . 17918 2 Donghai Lin . H. . 17918 3 Yufen Zhao . F. . 17918 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 TbPIN1 'not applicable' . 17918 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TbPIN1 . 17918 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17918 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 456 17918 '15N chemical shifts' 122 17918 '1H chemical shifts' 801 17918 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 . . 2012-08-21 2011-09-06 original author . 17918 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LJ4 'BMRB Entry Tracking System' 17918 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17918 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22900083 _Citation.Full_citation . _Citation.Title 'Solution Structural Analysis of the Single-Domain Parvulin TbPin1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue 8 _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 e43017 _Citation.Page_last e43017 _Citation.Year 2012 _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 Lifang Sun . F. . 17918 1 2 Xueji Wu . H. . 17918 1 3 Yu Peng . F. . 17918 1 4 Jian-Yuan Goh . H. . 17918 1 5 Yih-Cherng Liou . F. . 17918 1 6 Donghai Lin . H. . 17918 1 7 Yufen Zhao . F. . 17918 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17918 _Assembly.ID 1 _Assembly.Name TbPIN1 _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 TbPIN1 1 $TbPIN1 A . yes native no no . . . 17918 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TbPIN1 _Entity.Sf_category entity _Entity.Sf_framecode TbPIN1 _Entity.Entry_ID 17918 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Prolyl_Cis/trans_Isomerase_TbPIN1 _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 ; MSEKLRAAHLLVKFSGSRNP VSRRTGDSTADVTYEDAIKE LQKWSQRIASGEVSFEEAAS QRSDCGSYASGGDLGFFSSG EMMKPFEDAVRALKIGDISP IVQTDSGLHIIKRLA ; _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12515.130 _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 2LJ4 . "Solution Structure Of The Tbpin1" . . . . . 100.00 115 100.00 100.00 8.51e-77 . . . . 17918 1 2 no EMBL CBH13077 . "PPIase, putative [Trypanosoma brucei gambiense DAL972]" . . . . . 100.00 115 99.13 100.00 3.56e-76 . . . . 17918 1 3 no GB AAX69357 . "peptidyl-prolyl cis-trans isomerase/rotamase, putative [Trypanosoma brucei]" . . . . . 100.00 115 100.00 100.00 8.51e-77 . . . . 17918 1 4 no GB AAZ12840 . "peptidyl-prolyl cis-trans isomerase/rotamase, putative [Trypanosoma brucei brucei TREU927]" . . . . . 100.00 115 100.00 100.00 8.51e-77 . . . . 17918 1 5 no REF XP_011775354 . "PPIase, putative [Trypanosoma brucei gambiense DAL972]" . . . . . 100.00 115 99.13 100.00 3.56e-76 . . . . 17918 1 6 no REF XP_846906 . "peptidyl-prolyl cis-trans isomerase/rotamase [Trypanosoma brucei brucei TREU927]" . . . . . 100.00 115 100.00 100.00 8.51e-77 . . . . 17918 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 4 MET . 17918 1 2 5 SER . 17918 1 3 6 GLU . 17918 1 4 7 LYS . 17918 1 5 8 LEU . 17918 1 6 9 ARG . 17918 1 7 10 ALA . 17918 1 8 11 ALA . 17918 1 9 12 HIS . 17918 1 10 13 LEU . 17918 1 11 14 LEU . 17918 1 12 15 VAL . 17918 1 13 16 LYS . 17918 1 14 17 PHE . 17918 1 15 18 SER . 17918 1 16 19 GLY . 17918 1 17 20 SER . 17918 1 18 21 ARG . 17918 1 19 22 ASN . 17918 1 20 23 PRO . 17918 1 21 24 VAL . 17918 1 22 25 SER . 17918 1 23 26 ARG . 17918 1 24 27 ARG . 17918 1 25 28 THR . 17918 1 26 29 GLY . 17918 1 27 30 ASP . 17918 1 28 31 SER . 17918 1 29 32 THR . 17918 1 30 33 ALA . 17918 1 31 34 ASP . 17918 1 32 35 VAL . 17918 1 33 36 THR . 17918 1 34 37 TYR . 17918 1 35 38 GLU . 17918 1 36 39 ASP . 17918 1 37 40 ALA . 17918 1 38 41 ILE . 17918 1 39 42 LYS . 17918 1 40 43 GLU . 17918 1 41 44 LEU . 17918 1 42 45 GLN . 17918 1 43 46 LYS . 17918 1 44 47 TRP . 17918 1 45 48 SER . 17918 1 46 49 GLN . 17918 1 47 50 ARG . 17918 1 48 51 ILE . 17918 1 49 52 ALA . 17918 1 50 53 SER . 17918 1 51 54 GLY . 17918 1 52 55 GLU . 17918 1 53 56 VAL . 17918 1 54 57 SER . 17918 1 55 58 PHE . 17918 1 56 59 GLU . 17918 1 57 60 GLU . 17918 1 58 61 ALA . 17918 1 59 62 ALA . 17918 1 60 63 SER . 17918 1 61 64 GLN . 17918 1 62 65 ARG . 17918 1 63 66 SER . 17918 1 64 67 ASP . 17918 1 65 68 CYS . 17918 1 66 69 GLY . 17918 1 67 70 SER . 17918 1 68 71 TYR . 17918 1 69 72 ALA . 17918 1 70 73 SER . 17918 1 71 74 GLY . 17918 1 72 75 GLY . 17918 1 73 76 ASP . 17918 1 74 77 LEU . 17918 1 75 78 GLY . 17918 1 76 79 PHE . 17918 1 77 80 PHE . 17918 1 78 81 SER . 17918 1 79 82 SER . 17918 1 80 83 GLY . 17918 1 81 84 GLU . 17918 1 82 85 MET . 17918 1 83 86 MET . 17918 1 84 87 LYS . 17918 1 85 88 PRO . 17918 1 86 89 PHE . 17918 1 87 90 GLU . 17918 1 88 91 ASP . 17918 1 89 92 ALA . 17918 1 90 93 VAL . 17918 1 91 94 ARG . 17918 1 92 95 ALA . 17918 1 93 96 LEU . 17918 1 94 97 LYS . 17918 1 95 98 ILE . 17918 1 96 99 GLY . 17918 1 97 100 ASP . 17918 1 98 101 ILE . 17918 1 99 102 SER . 17918 1 100 103 PRO . 17918 1 101 104 ILE . 17918 1 102 105 VAL . 17918 1 103 106 GLN . 17918 1 104 107 THR . 17918 1 105 108 ASP . 17918 1 106 109 SER . 17918 1 107 110 GLY . 17918 1 108 111 LEU . 17918 1 109 112 HIS . 17918 1 110 113 ILE . 17918 1 111 114 ILE . 17918 1 112 115 LYS . 17918 1 113 116 ARG . 17918 1 114 117 LEU . 17918 1 115 118 ALA . 17918 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17918 1 . SER 2 2 17918 1 . GLU 3 3 17918 1 . LYS 4 4 17918 1 . LEU 5 5 17918 1 . ARG 6 6 17918 1 . ALA 7 7 17918 1 . ALA 8 8 17918 1 . HIS 9 9 17918 1 . LEU 10 10 17918 1 . LEU 11 11 17918 1 . VAL 12 12 17918 1 . LYS 13 13 17918 1 . PHE 14 14 17918 1 . SER 15 15 17918 1 . GLY 16 16 17918 1 . SER 17 17 17918 1 . ARG 18 18 17918 1 . ASN 19 19 17918 1 . PRO 20 20 17918 1 . VAL 21 21 17918 1 . SER 22 22 17918 1 . ARG 23 23 17918 1 . ARG 24 24 17918 1 . THR 25 25 17918 1 . GLY 26 26 17918 1 . ASP 27 27 17918 1 . SER 28 28 17918 1 . THR 29 29 17918 1 . ALA 30 30 17918 1 . ASP 31 31 17918 1 . VAL 32 32 17918 1 . THR 33 33 17918 1 . TYR 34 34 17918 1 . GLU 35 35 17918 1 . ASP 36 36 17918 1 . ALA 37 37 17918 1 . ILE 38 38 17918 1 . LYS 39 39 17918 1 . GLU 40 40 17918 1 . LEU 41 41 17918 1 . GLN 42 42 17918 1 . LYS 43 43 17918 1 . TRP 44 44 17918 1 . SER 45 45 17918 1 . GLN 46 46 17918 1 . ARG 47 47 17918 1 . ILE 48 48 17918 1 . ALA 49 49 17918 1 . SER 50 50 17918 1 . GLY 51 51 17918 1 . GLU 52 52 17918 1 . VAL 53 53 17918 1 . SER 54 54 17918 1 . PHE 55 55 17918 1 . GLU 56 56 17918 1 . GLU 57 57 17918 1 . ALA 58 58 17918 1 . ALA 59 59 17918 1 . SER 60 60 17918 1 . GLN 61 61 17918 1 . ARG 62 62 17918 1 . SER 63 63 17918 1 . ASP 64 64 17918 1 . CYS 65 65 17918 1 . GLY 66 66 17918 1 . SER 67 67 17918 1 . TYR 68 68 17918 1 . ALA 69 69 17918 1 . SER 70 70 17918 1 . GLY 71 71 17918 1 . GLY 72 72 17918 1 . ASP 73 73 17918 1 . LEU 74 74 17918 1 . GLY 75 75 17918 1 . PHE 76 76 17918 1 . PHE 77 77 17918 1 . SER 78 78 17918 1 . SER 79 79 17918 1 . GLY 80 80 17918 1 . GLU 81 81 17918 1 . MET 82 82 17918 1 . MET 83 83 17918 1 . LYS 84 84 17918 1 . PRO 85 85 17918 1 . PHE 86 86 17918 1 . GLU 87 87 17918 1 . ASP 88 88 17918 1 . ALA 89 89 17918 1 . VAL 90 90 17918 1 . ARG 91 91 17918 1 . ALA 92 92 17918 1 . LEU 93 93 17918 1 . LYS 94 94 17918 1 . ILE 95 95 17918 1 . GLY 96 96 17918 1 . ASP 97 97 17918 1 . ILE 98 98 17918 1 . SER 99 99 17918 1 . PRO 100 100 17918 1 . ILE 101 101 17918 1 . VAL 102 102 17918 1 . GLN 103 103 17918 1 . THR 104 104 17918 1 . ASP 105 105 17918 1 . SER 106 106 17918 1 . GLY 107 107 17918 1 . LEU 108 108 17918 1 . HIS 109 109 17918 1 . ILE 110 110 17918 1 . ILE 111 111 17918 1 . LYS 112 112 17918 1 . ARG 113 113 17918 1 . LEU 114 114 17918 1 . ALA 115 115 17918 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 17918 _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 $TbPIN1 . 5691 organism . 'Trypanosoma brucei' 'Trypanosoma brucei' . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . . . . . . TbPIN1 . . . . 17918 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 17918 _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 $TbPIN1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28b . . . . . . 17918 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17918 _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 'Prolyl Cis/trans Isomerase TbPIN1' '[U-99% 13C; U-99% 15N]' . . 1 $TbPIN1 . . . 0.8 1.0 mM . . . . 17918 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17918 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17918 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17918 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 17918 1 pH 7.0 . pH 17918 1 pressure 101325 . Pa 17918 1 temperature 298 . K 17918 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17918 _Software.ID 1 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 17918 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17918 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17918 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17918 _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 Varian INOVA . 600 . . . 17918 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 17918 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17918 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17918 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17918 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17918 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17918 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17918 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17918 1 8 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17918 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17918 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17918 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17918 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17918 1 13 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17918 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17918 1 15 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17918 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17918 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17918 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . . . . . 17918 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . . . . . 17918 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17918 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 17918 _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 3 '3D CBCA(CO)NH' . . . 17918 1 4 '3D HNCACB' . . . 17918 1 12 '3D 1H-15N NOESY' . . . 17918 1 16 '3D 1H-13C NOESY' . . . 17918 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 MET HA H 1 4.44 0.019 . 1 . . . A 4 MET HA . 17918 1 2 . 1 1 1 1 MET HB2 H 1 2.037 0.009 . 2 . . . A 4 MET HB2 . 17918 1 3 . 1 1 1 1 MET HB3 H 1 1.943 0.012 . 2 . . . A 4 MET HB3 . 17918 1 4 . 1 1 1 1 MET HG2 H 1 2.473 0.003 . 2 . . . A 4 MET HG2 . 17918 1 5 . 1 1 1 1 MET HG3 H 1 2.432 0.001 . 2 . . . A 4 MET HG3 . 17918 1 6 . 1 1 1 1 MET C C 13 177.248 0.001 . 1 . . . A 4 MET C . 17918 1 7 . 1 1 1 1 MET CA C 13 56.719 0.060 . 1 . . . A 4 MET CA . 17918 1 8 . 1 1 1 1 MET CB C 13 33.656 0.098 . 1 . . . A 4 MET CB . 17918 1 9 . 1 1 1 1 MET CG C 13 33.009 0.108 . 1 . . . A 4 MET CG . 17918 1 10 . 1 1 2 2 SER H H 1 8.317 0.006 . 1 . . . A 5 SER H . 17918 1 11 . 1 1 2 2 SER HA H 1 4.393 0.011 . 1 . . . A 5 SER HA . 17918 1 12 . 1 1 2 2 SER HB2 H 1 3.847 0.001 . 2 . . . A 5 SER HB2 . 17918 1 13 . 1 1 2 2 SER HB3 H 1 3.852 0.001 . 2 . . . A 5 SER HB3 . 17918 1 14 . 1 1 2 2 SER HG H 1 4.757 0.007 . 1 . . . A 5 SER HG . 17918 1 15 . 1 1 2 2 SER C C 13 175.466 0.001 . 1 . . . A 5 SER C . 17918 1 16 . 1 1 2 2 SER CA C 13 59.622 0.086 . 1 . . . A 5 SER CA . 17918 1 17 . 1 1 2 2 SER CB C 13 64.896 0.058 . 1 . . . A 5 SER CB . 17918 1 18 . 1 1 2 2 SER N N 15 117.478 0.049 . 1 . . . A 5 SER N . 17918 1 19 . 1 1 3 3 GLU H H 1 8.359 0.005 . 1 . . . A 6 GLU H . 17918 1 20 . 1 1 3 3 GLU HA H 1 4.278 0.014 . 1 . . . A 6 GLU HA . 17918 1 21 . 1 1 3 3 GLU HB2 H 1 2.053 0.022 . 2 . . . A 6 GLU HB2 . 17918 1 22 . 1 1 3 3 GLU HB3 H 1 1.961 0.019 . 2 . . . A 6 GLU HB3 . 17918 1 23 . 1 1 3 3 GLU HG2 H 1 2.202 0.015 . 2 . . . A 6 GLU HG2 . 17918 1 24 . 1 1 3 3 GLU HG3 H 1 2.276 0.007 . 2 . . . A 6 GLU HG3 . 17918 1 25 . 1 1 3 3 GLU C C 13 177.189 0.001 . 1 . . . A 6 GLU C . 17918 1 26 . 1 1 3 3 GLU CA C 13 57.791 0.073 . 1 . . . A 6 GLU CA . 17918 1 27 . 1 1 3 3 GLU CB C 13 31.568 0.092 . 1 . . . A 6 GLU CB . 17918 1 28 . 1 1 3 3 GLU CG C 13 37.559 0.109 . 1 . . . A 6 GLU CG . 17918 1 29 . 1 1 3 3 GLU N N 15 123.783 0.024 . 1 . . . A 6 GLU N . 17918 1 30 . 1 1 4 4 LYS H H 1 8.193 0.005 . 1 . . . A 7 LYS H . 17918 1 31 . 1 1 4 4 LYS HA H 1 4.514 0.026 . 1 . . . A 7 LYS HA . 17918 1 32 . 1 1 4 4 LYS HB2 H 1 1.669 0.007 . 2 . . . A 7 LYS HB2 . 17918 1 33 . 1 1 4 4 LYS HB3 H 1 1.602 0.018 . 2 . . . A 7 LYS HB3 . 17918 1 34 . 1 1 4 4 LYS HG2 H 1 1.225 0.014 . 2 . . . A 7 LYS HG2 . 17918 1 35 . 1 1 4 4 LYS HG3 H 1 1.328 0.016 . 2 . . . A 7 LYS HG3 . 17918 1 36 . 1 1 4 4 LYS HD3 H 1 1.363 0.010 . 2 . . . A 7 LYS HD3 . 17918 1 37 . 1 1 4 4 LYS HE3 H 1 2.692 0.015 . 2 . . . A 7 LYS HE3 . 17918 1 38 . 1 1 4 4 LYS HZ1 H 1 8.626 0.001 . 1 . . . A 7 LYS HZ* . 17918 1 39 . 1 1 4 4 LYS HZ2 H 1 8.626 0.001 . 1 . . . A 7 LYS HZ* . 17918 1 40 . 1 1 4 4 LYS HZ3 H 1 8.626 0.001 . 1 . . . A 7 LYS HZ* . 17918 1 41 . 1 1 4 4 LYS C C 13 176.557 0.001 . 1 . . . A 7 LYS C . 17918 1 42 . 1 1 4 4 LYS CA C 13 56.826 0.110 . 1 . . . A 7 LYS CA . 17918 1 43 . 1 1 4 4 LYS CB C 13 35.393 0.066 . 1 . . . A 7 LYS CB . 17918 1 44 . 1 1 4 4 LYS CG C 13 26.197 0.092 . 1 . . . A 7 LYS CG . 17918 1 45 . 1 1 4 4 LYS CD C 13 30.268 0.047 . 1 . . . A 7 LYS CD . 17918 1 46 . 1 1 4 4 LYS CE C 13 43.149 0.001 . 1 . . . A 7 LYS CE . 17918 1 47 . 1 1 4 4 LYS N N 15 122.875 0.082 . 1 . . . A 7 LYS N . 17918 1 48 . 1 1 5 5 LEU H H 1 8.265 0.007 . 1 . . . A 8 LEU H . 17918 1 49 . 1 1 5 5 LEU HA H 1 4.394 0.015 . 1 . . . A 8 LEU HA . 17918 1 50 . 1 1 5 5 LEU HB2 H 1 0.872 0.015 . 2 . . . A 8 LEU HB2 . 17918 1 51 . 1 1 5 5 LEU HB3 H 1 0.642 0.014 . 2 . . . A 8 LEU HB3 . 17918 1 52 . 1 1 5 5 LEU HG H 1 1.476 0.019 . 1 . . . A 8 LEU HG . 17918 1 53 . 1 1 5 5 LEU HD11 H 1 0.733 0.011 . 2 . . . A 8 LEU HD1* . 17918 1 54 . 1 1 5 5 LEU HD12 H 1 0.733 0.011 . 2 . . . A 8 LEU HD1* . 17918 1 55 . 1 1 5 5 LEU HD13 H 1 0.733 0.011 . 2 . . . A 8 LEU HD1* . 17918 1 56 . 1 1 5 5 LEU HD21 H 1 0.827 0.017 . 2 . . . A 8 LEU HD2* . 17918 1 57 . 1 1 5 5 LEU HD22 H 1 0.827 0.017 . 2 . . . A 8 LEU HD2* . 17918 1 58 . 1 1 5 5 LEU HD23 H 1 0.827 0.017 . 2 . . . A 8 LEU HD2* . 17918 1 59 . 1 1 5 5 LEU C C 13 175.699 0.001 . 1 . . . A 8 LEU C . 17918 1 60 . 1 1 5 5 LEU CA C 13 54.542 0.057 . 1 . . . A 8 LEU CA . 17918 1 61 . 1 1 5 5 LEU CB C 13 46.512 0.043 . 1 . . . A 8 LEU CB . 17918 1 62 . 1 1 5 5 LEU CG C 13 28.463 0.090 . 1 . . . A 8 LEU CG . 17918 1 63 . 1 1 5 5 LEU CD1 C 13 26.792 0.054 . 2 . . . A 8 LEU CD1 . 17918 1 64 . 1 1 5 5 LEU CD2 C 13 24.95 0.078 . 2 . . . A 8 LEU CD2 . 17918 1 65 . 1 1 5 5 LEU N N 15 123.258 0.035 . 1 . . . A 8 LEU N . 17918 1 66 . 1 1 6 6 ARG H H 1 7.759 0.006 . 1 . . . A 9 ARG H . 17918 1 67 . 1 1 6 6 ARG HA H 1 4.604 0.017 . 1 . . . A 9 ARG HA . 17918 1 68 . 1 1 6 6 ARG HB2 H 1 0.801 0.015 . 2 . . . A 9 ARG HB2 . 17918 1 69 . 1 1 6 6 ARG HB3 H 1 1.172 0.017 . 2 . . . A 9 ARG HB3 . 17918 1 70 . 1 1 6 6 ARG HG2 H 1 1.103 0.020 . 2 . . . A 9 ARG HG2 . 17918 1 71 . 1 1 6 6 ARG HG3 H 1 1.8 0.008 . 2 . . . A 9 ARG HG3 . 17918 1 72 . 1 1 6 6 ARG HD2 H 1 2.335 0.007 . 2 . . . A 9 ARG HD2 . 17918 1 73 . 1 1 6 6 ARG HD3 H 1 1.716 0.019 . 2 . . . A 9 ARG HD3 . 17918 1 74 . 1 1 6 6 ARG HE H 1 7.719 0.014 . 1 . . . A 9 ARG HE . 17918 1 75 . 1 1 6 6 ARG C C 13 175.633 0.001 . 1 . . . A 9 ARG C . 17918 1 76 . 1 1 6 6 ARG CA C 13 57.175 0.086 . 1 . . . A 9 ARG CA . 17918 1 77 . 1 1 6 6 ARG CB C 13 35.42 0.066 . 1 . . . A 9 ARG CB . 17918 1 78 . 1 1 6 6 ARG CG C 13 27.41 0.013 . 1 . . . A 9 ARG CG . 17918 1 79 . 1 1 6 6 ARG CD C 13 44.258 0.086 . 1 . . . A 9 ARG CD . 17918 1 80 . 1 1 6 6 ARG N N 15 117.197 0.051 . 1 . . . A 9 ARG N . 17918 1 81 . 1 1 6 6 ARG NE N 15 84.153 0.010 . 1 . . . A 9 ARG NE . 17918 1 82 . 1 1 7 7 ALA H H 1 7.637 0.005 . 1 . . . A 10 ALA H . 17918 1 83 . 1 1 7 7 ALA HA H 1 5.14 0.012 . 1 . . . A 10 ALA HA . 17918 1 84 . 1 1 7 7 ALA HB1 H 1 1.501 0.013 . 1 . . . A 10 ALA HB* . 17918 1 85 . 1 1 7 7 ALA HB2 H 1 1.501 0.013 . 1 . . . A 10 ALA HB* . 17918 1 86 . 1 1 7 7 ALA HB3 H 1 1.501 0.013 . 1 . . . A 10 ALA HB* . 17918 1 87 . 1 1 7 7 ALA C C 13 174.004 0.001 . 1 . . . A 10 ALA C . 17918 1 88 . 1 1 7 7 ALA CA C 13 51.867 0.073 . 1 . . . A 10 ALA CA . 17918 1 89 . 1 1 7 7 ALA CB C 13 25.007 0.049 . 1 . . . A 10 ALA CB . 17918 1 90 . 1 1 7 7 ALA N N 15 126.954 0.038 . 1 . . . A 10 ALA N . 17918 1 91 . 1 1 8 8 ALA H H 1 8.991 0.003 . 1 . . . A 11 ALA H . 17918 1 92 . 1 1 8 8 ALA HA H 1 5.79 0.014 . 1 . . . A 11 ALA HA . 17918 1 93 . 1 1 8 8 ALA HB1 H 1 1.369 0.018 . 1 . . . A 11 ALA HB* . 17918 1 94 . 1 1 8 8 ALA HB2 H 1 1.369 0.018 . 1 . . . A 11 ALA HB* . 17918 1 95 . 1 1 8 8 ALA HB3 H 1 1.369 0.018 . 1 . . . A 11 ALA HB* . 17918 1 96 . 1 1 8 8 ALA C C 13 177.446 0.018 . 1 . . . A 11 ALA C . 17918 1 97 . 1 1 8 8 ALA CA C 13 50.276 0.018 . 1 . . . A 11 ALA CA . 17918 1 98 . 1 1 8 8 ALA CB C 13 23.621 0.018 . 1 . . . A 11 ALA CB . 17918 1 99 . 1 1 8 8 ALA N N 15 122.081 0.047 . 1 . . . A 11 ALA N . 17918 1 100 . 1 1 9 9 HIS H H 1 9.489 0.003 . 1 . . . A 12 HIS H . 17918 1 101 . 1 1 9 9 HIS HA H 1 6.129 0.014 . 1 . . . A 12 HIS HA . 17918 1 102 . 1 1 9 9 HIS HB2 H 1 3.328 0.012 . 2 . . . A 12 HIS HB2 . 17918 1 103 . 1 1 9 9 HIS HB3 H 1 3.547 0.014 . 2 . . . A 12 HIS HB3 . 17918 1 104 . 1 1 9 9 HIS HD1 H 1 7.27 0.015 . 1 . . . A 12 HIS HD1 . 17918 1 105 . 1 1 9 9 HIS HD2 H 1 7.74 0.001 . 1 . . . A 12 HIS HD2 . 17918 1 106 . 1 1 9 9 HIS HE1 H 1 7.29 0.001 . 1 . . . A 12 HIS HE1 . 17918 1 107 . 1 1 9 9 HIS HE2 H 1 7.638 0.001 . 1 . . . A 12 HIS HE2 . 17918 1 108 . 1 1 9 9 HIS C C 13 172.689 0.001 . 1 . . . A 12 HIS C . 17918 1 109 . 1 1 9 9 HIS CA C 13 55.096 0.063 . 1 . . . A 12 HIS CA . 17918 1 110 . 1 1 9 9 HIS CB C 13 38.732 0.044 . 1 . . . A 12 HIS CB . 17918 1 111 . 1 1 9 9 HIS N N 15 118.002 0.032 . 1 . . . A 12 HIS N . 17918 1 112 . 1 1 10 10 LEU H H 1 8.866 0.005 . 1 . . . A 13 LEU H . 17918 1 113 . 1 1 10 10 LEU HA H 1 3.906 0.018 . 1 . . . A 13 LEU HA . 17918 1 114 . 1 1 10 10 LEU HB2 H 1 0.837 0.014 . 2 . . . A 13 LEU HB2 . 17918 1 115 . 1 1 10 10 LEU HB3 H 1 1.55 0.017 . 2 . . . A 13 LEU HB3 . 17918 1 116 . 1 1 10 10 LEU HG H 1 1.073 0.014 . 1 . . . A 13 LEU HG . 17918 1 117 . 1 1 10 10 LEU HD11 H 1 0.097 0.022 . 2 . . . A 13 LEU HD1* . 17918 1 118 . 1 1 10 10 LEU HD12 H 1 0.097 0.022 . 2 . . . A 13 LEU HD1* . 17918 1 119 . 1 1 10 10 LEU HD13 H 1 0.097 0.022 . 2 . . . A 13 LEU HD1* . 17918 1 120 . 1 1 10 10 LEU HD21 H 1 0.245 0.010 . 2 . . . A 13 LEU HD2* . 17918 1 121 . 1 1 10 10 LEU HD22 H 1 0.245 0.010 . 2 . . . A 13 LEU HD2* . 17918 1 122 . 1 1 10 10 LEU HD23 H 1 0.245 0.010 . 2 . . . A 13 LEU HD2* . 17918 1 123 . 1 1 10 10 LEU C C 13 174.163 0.001 . 1 . . . A 13 LEU C . 17918 1 124 . 1 1 10 10 LEU CA C 13 56.703 0.065 . 1 . . . A 13 LEU CA . 17918 1 125 . 1 1 10 10 LEU CB C 13 45.567 0.056 . 1 . . . A 13 LEU CB . 17918 1 126 . 1 1 10 10 LEU CG C 13 30.614 0.049 . 1 . . . A 13 LEU CG . 17918 1 127 . 1 1 10 10 LEU CD1 C 13 26.802 0.030 . 2 . . . A 13 LEU CD1 . 17918 1 128 . 1 1 10 10 LEU CD2 C 13 24.487 0.025 . 2 . . . A 13 LEU CD2 . 17918 1 129 . 1 1 10 10 LEU N N 15 126.276 0.038 . 1 . . . A 13 LEU N . 17918 1 130 . 1 1 11 11 LEU H H 1 7.762 0.005 . 1 . . . A 14 LEU H . 17918 1 131 . 1 1 11 11 LEU HA H 1 4.738 0.020 . 1 . . . A 14 LEU HA . 17918 1 132 . 1 1 11 11 LEU HB2 H 1 0.764 0.017 . 2 . . . A 14 LEU HB2 . 17918 1 133 . 1 1 11 11 LEU HB3 H 1 1.489 0.018 . 2 . . . A 14 LEU HB3 . 17918 1 134 . 1 1 11 11 LEU HG H 1 1.029 0.019 . 1 . . . A 14 LEU HG . 17918 1 135 . 1 1 11 11 LEU HD11 H 1 -0.108 0.016 . 2 . . . A 14 LEU HD1* . 17918 1 136 . 1 1 11 11 LEU HD12 H 1 -0.108 0.016 . 2 . . . A 14 LEU HD1* . 17918 1 137 . 1 1 11 11 LEU HD13 H 1 -0.108 0.016 . 2 . . . A 14 LEU HD1* . 17918 1 138 . 1 1 11 11 LEU HD21 H 1 0.748 0.014 . 2 . . . A 14 LEU HD2* . 17918 1 139 . 1 1 11 11 LEU HD22 H 1 0.748 0.014 . 2 . . . A 14 LEU HD2* . 17918 1 140 . 1 1 11 11 LEU HD23 H 1 0.748 0.014 . 2 . . . A 14 LEU HD2* . 17918 1 141 . 1 1 11 11 LEU C C 13 175.626 0.001 . 1 . . . A 14 LEU C . 17918 1 142 . 1 1 11 11 LEU CA C 13 53.603 0.062 . 1 . . . A 14 LEU CA . 17918 1 143 . 1 1 11 11 LEU CB C 13 45.695 0.068 . 1 . . . A 14 LEU CB . 17918 1 144 . 1 1 11 11 LEU CG C 13 28.446 0.065 . 1 . . . A 14 LEU CG . 17918 1 145 . 1 1 11 11 LEU CD1 C 13 21.691 0.036 . 2 . . . A 14 LEU CD1 . 17918 1 146 . 1 1 11 11 LEU CD2 C 13 28.35 0.008 . 2 . . . A 14 LEU CD2 . 17918 1 147 . 1 1 11 11 LEU N N 15 127.134 0.038 . 1 . . . A 14 LEU N . 17918 1 148 . 1 1 12 12 VAL H H 1 9.667 0.005 . 1 . . . A 15 VAL H . 17918 1 149 . 1 1 12 12 VAL HA H 1 4.41 0.013 . 1 . . . A 15 VAL HA . 17918 1 150 . 1 1 12 12 VAL HB H 1 1.766 0.018 . 1 . . . A 15 VAL HB . 17918 1 151 . 1 1 12 12 VAL HG11 H 1 0.626 0.015 . 2 . . . A 15 VAL HG1* . 17918 1 152 . 1 1 12 12 VAL HG12 H 1 0.626 0.015 . 2 . . . A 15 VAL HG1* . 17918 1 153 . 1 1 12 12 VAL HG13 H 1 0.626 0.015 . 2 . . . A 15 VAL HG1* . 17918 1 154 . 1 1 12 12 VAL HG21 H 1 0.977 0.021 . 2 . . . A 15 VAL HG2* . 17918 1 155 . 1 1 12 12 VAL HG22 H 1 0.977 0.021 . 2 . . . A 15 VAL HG2* . 17918 1 156 . 1 1 12 12 VAL HG23 H 1 0.977 0.021 . 2 . . . A 15 VAL HG2* . 17918 1 157 . 1 1 12 12 VAL C C 13 177.055 0.001 . 1 . . . A 15 VAL C . 17918 1 158 . 1 1 12 12 VAL CA C 13 62.841 0.076 . 1 . . . A 15 VAL CA . 17918 1 159 . 1 1 12 12 VAL CB C 13 34.389 0.047 . 1 . . . A 15 VAL CB . 17918 1 160 . 1 1 12 12 VAL N N 15 129.45 0.054 . 1 . . . A 15 VAL N . 17918 1 161 . 1 1 13 13 LYS H H 1 9.138 0.004 . 1 . . . A 16 LYS H . 17918 1 162 . 1 1 13 13 LYS HA H 1 4.482 0.022 . 1 . . . A 16 LYS HA . 17918 1 163 . 1 1 13 13 LYS HB2 H 1 1.89 0.009 . 2 . . . A 16 LYS HB2 . 17918 1 164 . 1 1 13 13 LYS HB3 H 1 1.625 0.004 . 2 . . . A 16 LYS HB3 . 17918 1 165 . 1 1 13 13 LYS HG2 H 1 1.5 0.025 . 2 . . . A 16 LYS HG2 . 17918 1 166 . 1 1 13 13 LYS HG3 H 1 1.365 0.001 . 2 . . . A 16 LYS HG3 . 17918 1 167 . 1 1 13 13 LYS HD2 H 1 1.969 0.001 . 2 . . . A 16 LYS HD2 . 17918 1 168 . 1 1 13 13 LYS HD3 H 1 1.563 0.019 . 2 . . . A 16 LYS HD3 . 17918 1 169 . 1 1 13 13 LYS HE2 H 1 3.061 0.010 . 2 . . . A 16 LYS HE2 . 17918 1 170 . 1 1 13 13 LYS HE3 H 1 3.231 0.001 . 2 . . . A 16 LYS HE3 . 17918 1 171 . 1 1 13 13 LYS HZ1 H 1 7.324 0.001 . 1 . . . A 16 LYS HZ* . 17918 1 172 . 1 1 13 13 LYS HZ2 H 1 7.324 0.001 . 1 . . . A 16 LYS HZ* . 17918 1 173 . 1 1 13 13 LYS HZ3 H 1 7.324 0.001 . 1 . . . A 16 LYS HZ* . 17918 1 174 . 1 1 13 13 LYS C C 13 176.034 0.001 . 1 . . . A 16 LYS C . 17918 1 175 . 1 1 13 13 LYS CA C 13 58.166 0.093 . 1 . . . A 16 LYS CA . 17918 1 176 . 1 1 13 13 LYS CB C 13 37.794 0.084 . 1 . . . A 16 LYS CB . 17918 1 177 . 1 1 13 13 LYS CG C 13 25.836 0.073 . 1 . . . A 16 LYS CG . 17918 1 178 . 1 1 13 13 LYS CD C 13 29.146 0.001 . 1 . . . A 16 LYS CD . 17918 1 179 . 1 1 13 13 LYS CE C 13 44.035 0.001 . 1 . . . A 16 LYS CE . 17918 1 180 . 1 1 13 13 LYS N N 15 127.188 0.019 . 1 . . . A 16 LYS N . 17918 1 181 . 1 1 14 14 PHE H H 1 8.617 0.005 . 1 . . . A 17 PHE H . 17918 1 182 . 1 1 14 14 PHE HA H 1 5.254 0.014 . 1 . . . A 17 PHE HA . 17918 1 183 . 1 1 14 14 PHE HB2 H 1 3.233 0.013 . 2 . . . A 17 PHE HB2 . 17918 1 184 . 1 1 14 14 PHE HB3 H 1 3.012 0.012 . 2 . . . A 17 PHE HB3 . 17918 1 185 . 1 1 14 14 PHE HD1 H 1 7.44 0.014 . 3 . . . A 17 PHE HD* . 17918 1 186 . 1 1 14 14 PHE HD2 H 1 7.44 0.014 . 3 . . . A 17 PHE HD* . 17918 1 187 . 1 1 14 14 PHE HE1 H 1 6.631 0.014 . 3 . . . A 17 PHE HE* . 17918 1 188 . 1 1 14 14 PHE HE2 H 1 6.631 0.014 . 3 . . . A 17 PHE HE* . 17918 1 189 . 1 1 14 14 PHE HZ H 1 7.523 0.006 . 1 . . . A 17 PHE HZ . 17918 1 190 . 1 1 14 14 PHE C C 13 176.588 0.001 . 1 . . . A 17 PHE C . 17918 1 191 . 1 1 14 14 PHE CA C 13 57.588 0.092 . 1 . . . A 17 PHE CA . 17918 1 192 . 1 1 14 14 PHE CB C 13 40.359 0.056 . 1 . . . A 17 PHE CB . 17918 1 193 . 1 1 14 14 PHE N N 15 117.138 0.019 . 1 . . . A 17 PHE N . 17918 1 194 . 1 1 15 15 SER H H 1 9.437 0.005 . 1 . . . A 18 SER H . 17918 1 195 . 1 1 15 15 SER HA H 1 4.019 0.001 . 1 . . . A 18 SER HA . 17918 1 196 . 1 1 15 15 SER HB2 H 1 3.97 0.013 . 2 . . . A 18 SER HB2 . 17918 1 197 . 1 1 15 15 SER HB3 H 1 3.908 0.001 . 2 . . . A 18 SER HB3 . 17918 1 198 . 1 1 15 15 SER HG H 1 4.756 0.001 . 1 . . . A 18 SER HG . 17918 1 199 . 1 1 15 15 SER C C 13 180.099 0.001 . 1 . . . A 18 SER C . 17918 1 200 . 1 1 15 15 SER CA C 13 62.865 0.001 . 1 . . . A 18 SER CA . 17918 1 201 . 1 1 15 15 SER CB C 13 64.3 0.008 . 1 . . . A 18 SER CB . 17918 1 202 . 1 1 15 15 SER N N 15 120.047 0.053 . 1 . . . A 18 SER N . 17918 1 203 . 1 1 16 16 GLY HA2 H 1 4.02 0.029 . 2 . . . A 19 GLY HA2 . 17918 1 204 . 1 1 16 16 GLY HA3 H 1 2.926 0.011 . 2 . . . A 19 GLY HA3 . 17918 1 205 . 1 1 16 16 GLY C C 13 175.458 0.033 . 1 . . . A 19 GLY C . 17918 1 206 . 1 1 16 16 GLY CA C 13 45.782 0.077 . 1 . . . A 19 GLY CA . 17918 1 207 . 1 1 17 17 SER H H 1 7.236 0.004 . 1 . . . A 20 SER H . 17918 1 208 . 1 1 17 17 SER HA H 1 3.839 0.012 . 1 . . . A 20 SER HA . 17918 1 209 . 1 1 17 17 SER HB3 H 1 3.57 0.010 . 2 . . . A 20 SER HB3 . 17918 1 210 . 1 1 17 17 SER HG H 1 5.403 0.001 . 1 . . . A 20 SER HG . 17918 1 211 . 1 1 17 17 SER C C 13 174.702 0.018 . 1 . . . A 20 SER C . 17918 1 212 . 1 1 17 17 SER CA C 13 62.099 0.092 . 1 . . . A 20 SER CA . 17918 1 213 . 1 1 17 17 SER CB C 13 65.081 0.098 . 1 . . . A 20 SER CB . 17918 1 214 . 1 1 17 17 SER N N 15 120.55 0.036 . 1 . . . A 20 SER N . 17918 1 215 . 1 1 18 18 ARG H H 1 8.544 0.003 . 1 . . . A 21 ARG H . 17918 1 216 . 1 1 18 18 ARG HA H 1 4.063 0.017 . 1 . . . A 21 ARG HA . 17918 1 217 . 1 1 18 18 ARG HB2 H 1 1.766 0.016 . 2 . . . A 21 ARG HB2 . 17918 1 218 . 1 1 18 18 ARG HB3 H 1 1.641 0.009 . 2 . . . A 21 ARG HB3 . 17918 1 219 . 1 1 18 18 ARG HG2 H 1 1.699 0.001 . 2 . . . A 21 ARG HG2 . 17918 1 220 . 1 1 18 18 ARG HG3 H 1 1.89 0.018 . 2 . . . A 21 ARG HG3 . 17918 1 221 . 1 1 18 18 ARG HD2 H 1 2.996 0.018 . 2 . . . A 21 ARG HD2 . 17918 1 222 . 1 1 18 18 ARG HD3 H 1 3.137 0.012 . 2 . . . A 21 ARG HD3 . 17918 1 223 . 1 1 18 18 ARG C C 13 177.005 0.001 . 1 . . . A 21 ARG C . 17918 1 224 . 1 1 18 18 ARG CA C 13 59.595 0.061 . 1 . . . A 21 ARG CA . 17918 1 225 . 1 1 18 18 ARG CB C 13 30.106 0.029 . 1 . . . A 21 ARG CB . 17918 1 226 . 1 1 18 18 ARG CG C 13 27.539 0.001 . 1 . . . A 21 ARG CG . 17918 1 227 . 1 1 18 18 ARG CD C 13 44.798 0.060 . 1 . . . A 21 ARG CD . 17918 1 228 . 1 1 18 18 ARG N N 15 123.998 0.036 . 1 . . . A 21 ARG N . 17918 1 229 . 1 1 19 19 ASN H H 1 8.412 0.010 . 1 . . . A 22 ASN H . 17918 1 230 . 1 1 19 19 ASN HA H 1 5.264 0.015 . 1 . . . A 22 ASN HA . 17918 1 231 . 1 1 19 19 ASN HB2 H 1 2.073 0.002 . 2 . . . A 22 ASN HB2 . 17918 1 232 . 1 1 19 19 ASN HB3 H 1 2.812 0.015 . 2 . . . A 22 ASN HB3 . 17918 1 233 . 1 1 19 19 ASN HD21 H 1 6.794 0.002 . 2 . . . A 22 ASN HD21 . 17918 1 234 . 1 1 19 19 ASN HD22 H 1 8.331 0.003 . 2 . . . A 22 ASN HD22 . 17918 1 235 . 1 1 19 19 ASN CA C 13 50.82 0.081 . 1 . . . A 22 ASN CA . 17918 1 236 . 1 1 19 19 ASN CB C 13 40.496 0.105 . 1 . . . A 22 ASN CB . 17918 1 237 . 1 1 19 19 ASN N N 15 116.403 0.036 . 1 . . . A 22 ASN N . 17918 1 238 . 1 1 19 19 ASN ND2 N 15 114.381 0.041 . 1 . . . A 22 ASN ND2 . 17918 1 239 . 1 1 20 20 PRO HA H 1 4.338 0.019 . 1 . . . A 23 PRO HA . 17918 1 240 . 1 1 20 20 PRO HB2 H 1 1.793 0.021 . 2 . . . A 23 PRO HB2 . 17918 1 241 . 1 1 20 20 PRO HB3 H 1 1.998 0.012 . 2 . . . A 23 PRO HB3 . 17918 1 242 . 1 1 20 20 PRO HG2 H 1 2.068 0.015 . 2 . . . A 23 PRO HG2 . 17918 1 243 . 1 1 20 20 PRO HG3 H 1 1.866 0.010 . 2 . . . A 23 PRO HG3 . 17918 1 244 . 1 1 20 20 PRO HD2 H 1 3.706 0.022 . 2 . . . A 23 PRO HD2 . 17918 1 245 . 1 1 20 20 PRO HD3 H 1 3.458 0.004 . 2 . . . A 23 PRO HD3 . 17918 1 246 . 1 1 20 20 PRO C C 13 176.381 0.001 . 1 . . . A 23 PRO C . 17918 1 247 . 1 1 20 20 PRO CA C 13 64.564 0.109 . 1 . . . A 23 PRO CA . 17918 1 248 . 1 1 20 20 PRO CB C 13 29.31 0.091 . 1 . . . A 23 PRO CB . 17918 1 249 . 1 1 20 20 PRO CG C 13 27.672 0.017 . 1 . . . A 23 PRO CG . 17918 1 250 . 1 1 20 20 PRO CD C 13 51.557 0.082 . 1 . . . A 23 PRO CD . 17918 1 251 . 1 1 21 21 VAL H H 1 8.81 0.006 . 1 . . . A 24 VAL H . 17918 1 252 . 1 1 21 21 VAL HA H 1 4.348 0.019 . 1 . . . A 24 VAL HA . 17918 1 253 . 1 1 21 21 VAL HB H 1 1.746 0.014 . 1 . . . A 24 VAL HB . 17918 1 254 . 1 1 21 21 VAL HG11 H 1 0.611 0.017 . 2 . . . A 24 VAL HG1* . 17918 1 255 . 1 1 21 21 VAL HG12 H 1 0.611 0.017 . 2 . . . A 24 VAL HG1* . 17918 1 256 . 1 1 21 21 VAL HG13 H 1 0.611 0.017 . 2 . . . A 24 VAL HG1* . 17918 1 257 . 1 1 21 21 VAL HG21 H 1 0.743 0.017 . 2 . . . A 24 VAL HG2* . 17918 1 258 . 1 1 21 21 VAL HG22 H 1 0.743 0.017 . 2 . . . A 24 VAL HG2* . 17918 1 259 . 1 1 21 21 VAL HG23 H 1 0.743 0.017 . 2 . . . A 24 VAL HG2* . 17918 1 260 . 1 1 21 21 VAL C C 13 176.393 0.001 . 1 . . . A 24 VAL C . 17918 1 261 . 1 1 21 21 VAL CA C 13 62.839 0.089 . 1 . . . A 24 VAL CA . 17918 1 262 . 1 1 21 21 VAL CB C 13 35.986 0.036 . 1 . . . A 24 VAL CB . 17918 1 263 . 1 1 21 21 VAL CG1 C 13 21.287 0.052 . 2 . . . A 24 VAL CG1 . 17918 1 264 . 1 1 21 21 VAL CG2 C 13 22.568 0.059 . 2 . . . A 24 VAL CG2 . 17918 1 265 . 1 1 21 21 VAL N N 15 126.905 0.064 . 1 . . . A 24 VAL N . 17918 1 266 . 1 1 22 22 SER H H 1 8.657 0.006 . 1 . . . A 25 SER H . 17918 1 267 . 1 1 22 22 SER HA H 1 4.296 0.020 . 1 . . . A 25 SER HA . 17918 1 268 . 1 1 22 22 SER HB3 H 1 3.657 0.016 . 2 . . . A 25 SER HB3 . 17918 1 269 . 1 1 22 22 SER C C 13 178.264 0.001 . 1 . . . A 25 SER C . 17918 1 270 . 1 1 22 22 SER CA C 13 59.682 0.097 . 1 . . . A 25 SER CA . 17918 1 271 . 1 1 22 22 SER CB C 13 64.553 0.085 . 1 . . . A 25 SER CB . 17918 1 272 . 1 1 22 22 SER N N 15 121.164 0.049 . 1 . . . A 25 SER N . 17918 1 273 . 1 1 23 23 ARG H H 1 8.837 0.004 . 1 . . . A 26 ARG H . 17918 1 274 . 1 1 23 23 ARG HA H 1 4.344 0.011 . 1 . . . A 26 ARG HA . 17918 1 275 . 1 1 23 23 ARG HB2 H 1 2.036 0.014 . 2 . . . A 26 ARG HB2 . 17918 1 276 . 1 1 23 23 ARG HB3 H 1 1.802 0.023 . 2 . . . A 26 ARG HB3 . 17918 1 277 . 1 1 23 23 ARG HG2 H 1 1.842 0.016 . 2 . . . A 26 ARG HG2 . 17918 1 278 . 1 1 23 23 ARG HG3 H 1 2.008 0.014 . 2 . . . A 26 ARG HG3 . 17918 1 279 . 1 1 23 23 ARG HD2 H 1 3.28 0.011 . 2 . . . A 26 ARG HD2 . 17918 1 280 . 1 1 23 23 ARG HD3 H 1 3.331 0.001 . 2 . . . A 26 ARG HD3 . 17918 1 281 . 1 1 23 23 ARG HE H 1 8.308 0.010 . 1 . . . A 26 ARG HE . 17918 1 282 . 1 1 23 23 ARG C C 13 176.541 0.001 . 1 . . . A 26 ARG C . 17918 1 283 . 1 1 23 23 ARG CA C 13 57.26 0.071 . 1 . . . A 26 ARG CA . 17918 1 284 . 1 1 23 23 ARG CB C 13 29.882 0.044 . 1 . . . A 26 ARG CB . 17918 1 285 . 1 1 23 23 ARG CG C 13 28.586 0.073 . 1 . . . A 26 ARG CG . 17918 1 286 . 1 1 23 23 ARG CD C 13 43.573 0.073 . 1 . . . A 26 ARG CD . 17918 1 287 . 1 1 23 23 ARG N N 15 129.578 0.045 . 1 . . . A 26 ARG N . 17918 1 288 . 1 1 23 23 ARG NE N 15 85.335 0.057 . 1 . . . A 26 ARG NE . 17918 1 289 . 1 1 24 24 ARG H H 1 7.439 0.009 . 1 . . . A 27 ARG H . 17918 1 290 . 1 1 24 24 ARG HA H 1 3.79 0.015 . 1 . . . A 27 ARG HA . 17918 1 291 . 1 1 24 24 ARG HB2 H 1 1.263 0.014 . 2 . . . A 27 ARG HB2 . 17918 1 292 . 1 1 24 24 ARG HB3 H 1 1.422 0.001 . 2 . . . A 27 ARG HB3 . 17918 1 293 . 1 1 24 24 ARG HG2 H 1 1.487 0.002 . 2 . . . A 27 ARG HG2 . 17918 1 294 . 1 1 24 24 ARG HG3 H 1 1.697 0.001 . 2 . . . A 27 ARG HG3 . 17918 1 295 . 1 1 24 24 ARG HD2 H 1 3.013 0.029 . 2 . . . A 27 ARG HD2 . 17918 1 296 . 1 1 24 24 ARG HD3 H 1 2.565 0.008 . 2 . . . A 27 ARG HD3 . 17918 1 297 . 1 1 24 24 ARG C C 13 177.905 0.001 . 1 . . . A 27 ARG C . 17918 1 298 . 1 1 24 24 ARG CA C 13 58.816 0.071 . 1 . . . A 27 ARG CA . 17918 1 299 . 1 1 24 24 ARG CB C 13 33.064 0.044 . 1 . . . A 27 ARG CB . 17918 1 300 . 1 1 24 24 ARG CG C 13 26.517 0.001 . 1 . . . A 27 ARG CG . 17918 1 301 . 1 1 24 24 ARG CD C 13 43.035 0.155 . 1 . . . A 27 ARG CD . 17918 1 302 . 1 1 24 24 ARG N N 15 119.514 0.045 . 1 . . . A 27 ARG N . 17918 1 303 . 1 1 25 25 THR H H 1 7.088 0.005 . 1 . . . A 28 THR H . 17918 1 304 . 1 1 25 25 THR HA H 1 4.258 0.013 . 1 . . . A 28 THR HA . 17918 1 305 . 1 1 25 25 THR HB H 1 4.3 0.016 . 1 . . . A 28 THR HB . 17918 1 306 . 1 1 25 25 THR HG1 H 1 4.791 0.001 . 1 . . . A 28 THR HG1 . 17918 1 307 . 1 1 25 25 THR HG21 H 1 1.097 0.011 . 1 . . . A 28 THR HG2* . 17918 1 308 . 1 1 25 25 THR HG22 H 1 1.097 0.011 . 1 . . . A 28 THR HG2* . 17918 1 309 . 1 1 25 25 THR HG23 H 1 1.097 0.011 . 1 . . . A 28 THR HG2* . 17918 1 310 . 1 1 25 25 THR C C 13 177.078 0.001 . 1 . . . A 28 THR C . 17918 1 311 . 1 1 25 25 THR CA C 13 62.291 0.114 . 1 . . . A 28 THR CA . 17918 1 312 . 1 1 25 25 THR CB C 13 71.224 0.065 . 1 . . . A 28 THR CB . 17918 1 313 . 1 1 25 25 THR CG2 C 13 22.714 0.093 . 1 . . . A 28 THR CG2 . 17918 1 314 . 1 1 25 25 THR N N 15 104.184 0.043 . 1 . . . A 28 THR N . 17918 1 315 . 1 1 26 26 GLY H H 1 7.678 0.009 . 1 . . . A 29 GLY H . 17918 1 316 . 1 1 26 26 GLY HA2 H 1 4.173 0.018 . 2 . . . A 29 GLY HA2 . 17918 1 317 . 1 1 26 26 GLY HA3 H 1 3.662 0.018 . 2 . . . A 29 GLY HA3 . 17918 1 318 . 1 1 26 26 GLY C C 13 174.471 0.001 . 1 . . . A 29 GLY C . 17918 1 319 . 1 1 26 26 GLY CA C 13 46.469 0.068 . 1 . . . A 29 GLY CA . 17918 1 320 . 1 1 26 26 GLY N N 15 110.483 0.069 . 1 . . . A 29 GLY N . 17918 1 321 . 1 1 27 27 ASP H H 1 8.128 0.007 . 1 . . . A 30 ASP H . 17918 1 322 . 1 1 27 27 ASP HA H 1 4.763 0.020 . 1 . . . A 30 ASP HA . 17918 1 323 . 1 1 27 27 ASP HB2 H 1 2.659 0.017 . 2 . . . A 30 ASP HB2 . 17918 1 324 . 1 1 27 27 ASP HB3 H 1 2.476 0.014 . 2 . . . A 30 ASP HB3 . 17918 1 325 . 1 1 27 27 ASP C C 13 177.147 0.001 . 1 . . . A 30 ASP C . 17918 1 326 . 1 1 27 27 ASP CA C 13 54.763 0.090 . 1 . . . A 30 ASP CA . 17918 1 327 . 1 1 27 27 ASP CB C 13 42.95 0.053 . 1 . . . A 30 ASP CB . 17918 1 328 . 1 1 27 27 ASP N N 15 120.302 0.065 . 1 . . . A 30 ASP N . 17918 1 329 . 1 1 28 28 SER H H 1 8.633 0.006 . 1 . . . A 31 SER H . 17918 1 330 . 1 1 28 28 SER HA H 1 4.629 0.016 . 1 . . . A 31 SER HA . 17918 1 331 . 1 1 28 28 SER HB2 H 1 4.077 0.012 . 2 . . . A 31 SER HB2 . 17918 1 332 . 1 1 28 28 SER HB3 H 1 3.789 0.008 . 2 . . . A 31 SER HB3 . 17918 1 333 . 1 1 28 28 SER HG H 1 6.077 0.001 . 1 . . . A 31 SER HG . 17918 1 334 . 1 1 28 28 SER C C 13 178.127 0.001 . 1 . . . A 31 SER C . 17918 1 335 . 1 1 28 28 SER CA C 13 58.869 0.116 . 1 . . . A 31 SER CA . 17918 1 336 . 1 1 28 28 SER CB C 13 64.796 0.129 . 1 . . . A 31 SER CB . 17918 1 337 . 1 1 28 28 SER N N 15 113.726 0.040 . 1 . . . A 31 SER N . 17918 1 338 . 1 1 29 29 THR H H 1 8.397 0.006 . 1 . . . A 32 THR H . 17918 1 339 . 1 1 29 29 THR HA H 1 4.589 0.016 . 1 . . . A 32 THR HA . 17918 1 340 . 1 1 29 29 THR HB H 1 4.296 0.020 . 1 . . . A 32 THR HB . 17918 1 341 . 1 1 29 29 THR HG21 H 1 0.923 0.020 . 1 . . . A 32 THR HG2* . 17918 1 342 . 1 1 29 29 THR HG22 H 1 0.923 0.020 . 1 . . . A 32 THR HG2* . 17918 1 343 . 1 1 29 29 THR HG23 H 1 0.923 0.020 . 1 . . . A 32 THR HG2* . 17918 1 344 . 1 1 29 29 THR C C 13 176.368 0.001 . 1 . . . A 32 THR C . 17918 1 345 . 1 1 29 29 THR CA C 13 62.892 0.074 . 1 . . . A 32 THR CA . 17918 1 346 . 1 1 29 29 THR CB C 13 69.624 0.100 . 1 . . . A 32 THR CB . 17918 1 347 . 1 1 29 29 THR CG2 C 13 21.48 0.128 . 1 . . . A 32 THR CG2 . 17918 1 348 . 1 1 29 29 THR N N 15 120.655 0.052 . 1 . . . A 32 THR N . 17918 1 349 . 1 1 30 30 ALA H H 1 8.251 0.005 . 1 . . . A 33 ALA H . 17918 1 350 . 1 1 30 30 ALA HA H 1 3.795 0.018 . 1 . . . A 33 ALA HA . 17918 1 351 . 1 1 30 30 ALA HB1 H 1 1.381 0.010 . 1 . . . A 33 ALA HB* . 17918 1 352 . 1 1 30 30 ALA HB2 H 1 1.381 0.010 . 1 . . . A 33 ALA HB* . 17918 1 353 . 1 1 30 30 ALA HB3 H 1 1.381 0.010 . 1 . . . A 33 ALA HB* . 17918 1 354 . 1 1 30 30 ALA C C 13 177.708 0.001 . 1 . . . A 33 ALA C . 17918 1 355 . 1 1 30 30 ALA CA C 13 55.828 0.072 . 1 . . . A 33 ALA CA . 17918 1 356 . 1 1 30 30 ALA CB C 13 19.849 0.099 . 1 . . . A 33 ALA CB . 17918 1 357 . 1 1 30 30 ALA N N 15 124.923 0.051 . 1 . . . A 33 ALA N . 17918 1 358 . 1 1 31 31 ASP H H 1 8.398 0.003 . 1 . . . A 34 ASP H . 17918 1 359 . 1 1 31 31 ASP HA H 1 4.731 0.020 . 1 . . . A 34 ASP HA . 17918 1 360 . 1 1 31 31 ASP HB2 H 1 2.743 0.015 . 2 . . . A 34 ASP HB2 . 17918 1 361 . 1 1 31 31 ASP HB3 H 1 2.583 0.016 . 2 . . . A 34 ASP HB3 . 17918 1 362 . 1 1 31 31 ASP C C 13 176.973 0.001 . 1 . . . A 34 ASP C . 17918 1 363 . 1 1 31 31 ASP CA C 13 54.581 0.087 . 1 . . . A 34 ASP CA . 17918 1 364 . 1 1 31 31 ASP CB C 13 41.9 0.037 . 1 . . . A 34 ASP CB . 17918 1 365 . 1 1 31 31 ASP N N 15 114.016 0.109 . 1 . . . A 34 ASP N . 17918 1 366 . 1 1 32 32 VAL H H 1 7.323 0.006 . 1 . . . A 35 VAL H . 17918 1 367 . 1 1 32 32 VAL HA H 1 4.26 0.015 . 1 . . . A 35 VAL HA . 17918 1 368 . 1 1 32 32 VAL HB H 1 2.298 0.015 . 1 . . . A 35 VAL HB . 17918 1 369 . 1 1 32 32 VAL HG11 H 1 1.014 0.014 . 2 . . . A 35 VAL HG1* . 17918 1 370 . 1 1 32 32 VAL HG12 H 1 1.014 0.014 . 2 . . . A 35 VAL HG1* . 17918 1 371 . 1 1 32 32 VAL HG13 H 1 1.014 0.014 . 2 . . . A 35 VAL HG1* . 17918 1 372 . 1 1 32 32 VAL HG21 H 1 1.181 0.013 . 2 . . . A 35 VAL HG2* . 17918 1 373 . 1 1 32 32 VAL HG22 H 1 1.181 0.013 . 2 . . . A 35 VAL HG2* . 17918 1 374 . 1 1 32 32 VAL HG23 H 1 1.181 0.013 . 2 . . . A 35 VAL HG2* . 17918 1 375 . 1 1 32 32 VAL C C 13 177.725 0.001 . 1 . . . A 35 VAL C . 17918 1 376 . 1 1 32 32 VAL CA C 13 63.492 0.124 . 1 . . . A 35 VAL CA . 17918 1 377 . 1 1 32 32 VAL CB C 13 33.757 0.075 . 1 . . . A 35 VAL CB . 17918 1 378 . 1 1 32 32 VAL CG1 C 13 22.326 0.069 . 2 . . . A 35 VAL CG1 . 17918 1 379 . 1 1 32 32 VAL CG2 C 13 21.94 0.039 . 2 . . . A 35 VAL CG2 . 17918 1 380 . 1 1 32 32 VAL N N 15 123.637 0.045 . 1 . . . A 35 VAL N . 17918 1 381 . 1 1 33 33 THR H H 1 9.078 0.008 . 1 . . . A 36 THR H . 17918 1 382 . 1 1 33 33 THR HA H 1 4.642 0.016 . 1 . . . A 36 THR HA . 17918 1 383 . 1 1 33 33 THR HB H 1 4.83 0.016 . 1 . . . A 36 THR HB . 17918 1 384 . 1 1 33 33 THR HG1 H 1 5.101 0.012 . 1 . . . A 36 THR HG1 . 17918 1 385 . 1 1 33 33 THR HG21 H 1 1.486 0.010 . 1 . . . A 36 THR HG2* . 17918 1 386 . 1 1 33 33 THR HG22 H 1 1.486 0.010 . 1 . . . A 36 THR HG2* . 17918 1 387 . 1 1 33 33 THR HG23 H 1 1.486 0.010 . 1 . . . A 36 THR HG2* . 17918 1 388 . 1 1 33 33 THR C C 13 176.268 0.001 . 1 . . . A 36 THR C . 17918 1 389 . 1 1 33 33 THR CA C 13 62.597 0.077 . 1 . . . A 36 THR CA . 17918 1 390 . 1 1 33 33 THR CB C 13 72.388 0.041 . 1 . . . A 36 THR CB . 17918 1 391 . 1 1 33 33 THR CG2 C 13 23.164 0.116 . 1 . . . A 36 THR CG2 . 17918 1 392 . 1 1 33 33 THR N N 15 121.552 0.051 . 1 . . . A 36 THR N . 17918 1 393 . 1 1 34 34 TYR H H 1 9.247 0.002 . 1 . . . A 37 TYR H . 17918 1 394 . 1 1 34 34 TYR HA H 1 3.434 0.012 . 1 . . . A 37 TYR HA . 17918 1 395 . 1 1 34 34 TYR HB2 H 1 2.878 0.015 . 2 . . . A 37 TYR HB2 . 17918 1 396 . 1 1 34 34 TYR HB3 H 1 3.244 0.016 . 2 . . . A 37 TYR HB3 . 17918 1 397 . 1 1 34 34 TYR HD1 H 1 6.744 0.010 . 3 . . . A 37 TYR HD* . 17918 1 398 . 1 1 34 34 TYR HD2 H 1 6.744 0.010 . 3 . . . A 37 TYR HD* . 17918 1 399 . 1 1 34 34 TYR HE1 H 1 6.644 0.003 . 3 . . . A 37 TYR HE* . 17918 1 400 . 1 1 34 34 TYR HE2 H 1 6.644 0.003 . 3 . . . A 37 TYR HE* . 17918 1 401 . 1 1 34 34 TYR HH H 1 8.474 0.001 . 1 . . . A 37 TYR HH . 17918 1 402 . 1 1 34 34 TYR C C 13 177.216 0.001 . 1 . . . A 37 TYR C . 17918 1 403 . 1 1 34 34 TYR CA C 13 63.041 0.068 . 1 . . . A 37 TYR CA . 17918 1 404 . 1 1 34 34 TYR CB C 13 39.494 0.072 . 1 . . . A 37 TYR CB . 17918 1 405 . 1 1 34 34 TYR N N 15 122.486 0.031 . 1 . . . A 37 TYR N . 17918 1 406 . 1 1 35 35 GLU H H 1 8.782 0.003 . 1 . . . A 38 GLU H . 17918 1 407 . 1 1 35 35 GLU HA H 1 3.679 0.016 . 1 . . . A 38 GLU HA . 17918 1 408 . 1 1 35 35 GLU HB2 H 1 2.079 0.013 . 2 . . . A 38 GLU HB2 . 17918 1 409 . 1 1 35 35 GLU HB3 H 1 1.913 0.012 . 2 . . . A 38 GLU HB3 . 17918 1 410 . 1 1 35 35 GLU HG2 H 1 2.497 0.018 . 2 . . . A 38 GLU HG2 . 17918 1 411 . 1 1 35 35 GLU HG3 H 1 2.35 0.012 . 2 . . . A 38 GLU HG3 . 17918 1 412 . 1 1 35 35 GLU C C 13 180.453 0.001 . 1 . . . A 38 GLU C . 17918 1 413 . 1 1 35 35 GLU CA C 13 61.445 0.057 . 1 . . . A 38 GLU CA . 17918 1 414 . 1 1 35 35 GLU CB C 13 30.159 0.062 . 1 . . . A 38 GLU CB . 17918 1 415 . 1 1 35 35 GLU CG C 13 38.564 0.084 . 1 . . . A 38 GLU CG . 17918 1 416 . 1 1 35 35 GLU N N 15 116.626 0.073 . 1 . . . A 38 GLU N . 17918 1 417 . 1 1 36 36 ASP H H 1 7.916 0.003 . 1 . . . A 39 ASP H . 17918 1 418 . 1 1 36 36 ASP HA H 1 4.372 0.018 . 1 . . . A 39 ASP HA . 17918 1 419 . 1 1 36 36 ASP HB2 H 1 2.59 0.010 . 2 . . . A 39 ASP HB2 . 17918 1 420 . 1 1 36 36 ASP HB3 H 1 2.927 0.012 . 2 . . . A 39 ASP HB3 . 17918 1 421 . 1 1 36 36 ASP C C 13 180.015 0.001 . 1 . . . A 39 ASP C . 17918 1 422 . 1 1 36 36 ASP CA C 13 58.219 0.062 . 1 . . . A 39 ASP CA . 17918 1 423 . 1 1 36 36 ASP CB C 13 41.234 0.057 . 1 . . . A 39 ASP CB . 17918 1 424 . 1 1 36 36 ASP N N 15 120.67 0.047 . 1 . . . A 39 ASP N . 17918 1 425 . 1 1 37 37 ALA H H 1 8.318 0.008 . 1 . . . A 40 ALA H . 17918 1 426 . 1 1 37 37 ALA HA H 1 3.84 0.014 . 1 . . . A 40 ALA HA . 17918 1 427 . 1 1 37 37 ALA HB1 H 1 1.035 0.009 . 1 . . . A 40 ALA HB* . 17918 1 428 . 1 1 37 37 ALA HB2 H 1 1.035 0.009 . 1 . . . A 40 ALA HB* . 17918 1 429 . 1 1 37 37 ALA HB3 H 1 1.035 0.009 . 1 . . . A 40 ALA HB* . 17918 1 430 . 1 1 37 37 ALA C C 13 179.923 0.001 . 1 . . . A 40 ALA C . 17918 1 431 . 1 1 37 37 ALA CA C 13 56.345 0.072 . 1 . . . A 40 ALA CA . 17918 1 432 . 1 1 37 37 ALA CB C 13 19.853 0.055 . 1 . . . A 40 ALA CB . 17918 1 433 . 1 1 37 37 ALA N N 15 126.126 0.031 . 1 . . . A 40 ALA N . 17918 1 434 . 1 1 38 38 ILE H H 1 8.151 0.005 . 1 . . . A 41 ILE H . 17918 1 435 . 1 1 38 38 ILE HA H 1 3.468 0.015 . 1 . . . A 41 ILE HA . 17918 1 436 . 1 1 38 38 ILE HB H 1 1.573 0.014 . 1 . . . A 41 ILE HB . 17918 1 437 . 1 1 38 38 ILE HG12 H 1 0.913 0.016 . 2 . . . A 41 ILE HG12 . 17918 1 438 . 1 1 38 38 ILE HG13 H 1 0.812 0.015 . 2 . . . A 41 ILE HG13 . 17918 1 439 . 1 1 38 38 ILE HG21 H 1 0.661 0.012 . 1 . . . A 41 ILE HG2* . 17918 1 440 . 1 1 38 38 ILE HG22 H 1 0.661 0.012 . 1 . . . A 41 ILE HG2* . 17918 1 441 . 1 1 38 38 ILE HG23 H 1 0.661 0.012 . 1 . . . A 41 ILE HG2* . 17918 1 442 . 1 1 38 38 ILE HD11 H 1 0.525 0.013 . 1 . . . A 41 ILE HD1* . 17918 1 443 . 1 1 38 38 ILE HD12 H 1 0.525 0.013 . 1 . . . A 41 ILE HD1* . 17918 1 444 . 1 1 38 38 ILE HD13 H 1 0.525 0.013 . 1 . . . A 41 ILE HD1* . 17918 1 445 . 1 1 38 38 ILE C C 13 179.106 0.001 . 1 . . . A 41 ILE C . 17918 1 446 . 1 1 38 38 ILE CA C 13 64.379 0.063 . 1 . . . A 41 ILE CA . 17918 1 447 . 1 1 38 38 ILE CB C 13 37.291 0.075 . 1 . . . A 41 ILE CB . 17918 1 448 . 1 1 38 38 ILE CG1 C 13 28.716 0.055 . 1 . . . A 41 ILE CG1 . 17918 1 449 . 1 1 38 38 ILE CG2 C 13 17.869 0.064 . 1 . . . A 41 ILE CG2 . 17918 1 450 . 1 1 38 38 ILE CD1 C 13 12.822 0.025 . 1 . . . A 41 ILE CD1 . 17918 1 451 . 1 1 38 38 ILE N N 15 118.85 0.042 . 1 . . . A 41 ILE N . 17918 1 452 . 1 1 39 39 LYS H H 1 7.519 0.008 . 1 . . . A 42 LYS H . 17918 1 453 . 1 1 39 39 LYS HA H 1 3.984 0.013 . 1 . . . A 42 LYS HA . 17918 1 454 . 1 1 39 39 LYS HB2 H 1 1.884 0.023 . 2 . . . A 42 LYS HB2 . 17918 1 455 . 1 1 39 39 LYS HB3 H 1 1.921 0.012 . 2 . . . A 42 LYS HB3 . 17918 1 456 . 1 1 39 39 LYS HG2 H 1 1.441 0.016 . 2 . . . A 42 LYS HG2 . 17918 1 457 . 1 1 39 39 LYS HG3 H 1 1.63 0.017 . 2 . . . A 42 LYS HG3 . 17918 1 458 . 1 1 39 39 LYS HD2 H 1 1.692 0.020 . 2 . . . A 42 LYS HD2 . 17918 1 459 . 1 1 39 39 LYS HD3 H 1 1.717 0.014 . 2 . . . A 42 LYS HD3 . 17918 1 460 . 1 1 39 39 LYS HE2 H 1 2.638 0.001 . 2 . . . A 42 LYS HE2 . 17918 1 461 . 1 1 39 39 LYS HE3 H 1 2.972 0.022 . 2 . . . A 42 LYS HE3 . 17918 1 462 . 1 1 39 39 LYS HZ1 H 1 6 0.004 . 1 . . . A 42 LYS HZ* . 17918 1 463 . 1 1 39 39 LYS HZ2 H 1 6 0.004 . 1 . . . A 42 LYS HZ* . 17918 1 464 . 1 1 39 39 LYS HZ3 H 1 6 0.004 . 1 . . . A 42 LYS HZ* . 17918 1 465 . 1 1 39 39 LYS C C 13 180.883 0.001 . 1 . . . A 42 LYS C . 17918 1 466 . 1 1 39 39 LYS CA C 13 60.885 0.069 . 1 . . . A 42 LYS CA . 17918 1 467 . 1 1 39 39 LYS CB C 13 33.541 0.087 . 1 . . . A 42 LYS CB . 17918 1 468 . 1 1 39 39 LYS CG C 13 26.626 0.048 . 1 . . . A 42 LYS CG . 17918 1 469 . 1 1 39 39 LYS CD C 13 30.21 0.177 . 1 . . . A 42 LYS CD . 17918 1 470 . 1 1 39 39 LYS CE C 13 42.959 0.106 . 1 . . . A 42 LYS CE . 17918 1 471 . 1 1 39 39 LYS N N 15 120.585 0.036 . 1 . . . A 42 LYS N . 17918 1 472 . 1 1 39 39 LYS NZ N 15 105.259 0.031 . 1 . . . A 42 LYS NZ . 17918 1 473 . 1 1 40 40 GLU H H 1 7.911 0.007 . 1 . . . A 43 GLU H . 17918 1 474 . 1 1 40 40 GLU HA H 1 4.316 0.012 . 1 . . . A 43 GLU HA . 17918 1 475 . 1 1 40 40 GLU HB2 H 1 2.261 0.014 . 2 . . . A 43 GLU HB2 . 17918 1 476 . 1 1 40 40 GLU HB3 H 1 2.113 0.019 . 2 . . . A 43 GLU HB3 . 17918 1 477 . 1 1 40 40 GLU HG2 H 1 2.502 0.015 . 2 . . . A 43 GLU HG2 . 17918 1 478 . 1 1 40 40 GLU HG3 H 1 2.34 0.016 . 2 . . . A 43 GLU HG3 . 17918 1 479 . 1 1 40 40 GLU C C 13 179.969 0.001 . 1 . . . A 43 GLU C . 17918 1 480 . 1 1 40 40 GLU CA C 13 60.006 0.073 . 1 . . . A 43 GLU CA . 17918 1 481 . 1 1 40 40 GLU CB C 13 30.741 0.066 . 1 . . . A 43 GLU CB . 17918 1 482 . 1 1 40 40 GLU CG C 13 36.588 0.089 . 1 . . . A 43 GLU CG . 17918 1 483 . 1 1 40 40 GLU N N 15 121.167 0.055 . 1 . . . A 43 GLU N . 17918 1 484 . 1 1 41 41 LEU H H 1 8.424 0.010 . 1 . . . A 44 LEU H . 17918 1 485 . 1 1 41 41 LEU HA H 1 4.191 0.016 . 1 . . . A 44 LEU HA . 17918 1 486 . 1 1 41 41 LEU HB2 H 1 1.613 0.021 . 2 . . . A 44 LEU HB2 . 17918 1 487 . 1 1 41 41 LEU HB3 H 1 1.279 0.001 . 2 . . . A 44 LEU HB3 . 17918 1 488 . 1 1 41 41 LEU HG H 1 0.96 0.011 . 1 . . . A 44 LEU HG . 17918 1 489 . 1 1 41 41 LEU HD11 H 1 0.872 0.023 . 2 . . . A 44 LEU HD1* . 17918 1 490 . 1 1 41 41 LEU HD12 H 1 0.872 0.023 . 2 . . . A 44 LEU HD1* . 17918 1 491 . 1 1 41 41 LEU HD13 H 1 0.872 0.023 . 2 . . . A 44 LEU HD1* . 17918 1 492 . 1 1 41 41 LEU HD21 H 1 0.805 0.027 . 2 . . . A 44 LEU HD2* . 17918 1 493 . 1 1 41 41 LEU HD22 H 1 0.805 0.027 . 2 . . . A 44 LEU HD2* . 17918 1 494 . 1 1 41 41 LEU HD23 H 1 0.805 0.027 . 2 . . . A 44 LEU HD2* . 17918 1 495 . 1 1 41 41 LEU C C 13 180.778 0.001 . 1 . . . A 44 LEU C . 17918 1 496 . 1 1 41 41 LEU CA C 13 58.933 0.122 . 1 . . . A 44 LEU CA . 17918 1 497 . 1 1 41 41 LEU CB C 13 42.885 0.048 . 1 . . . A 44 LEU CB . 17918 1 498 . 1 1 41 41 LEU CG C 13 31.166 0.057 . 1 . . . A 44 LEU CG . 17918 1 499 . 1 1 41 41 LEU CD1 C 13 26.027 0.131 . 2 . . . A 44 LEU CD1 . 17918 1 500 . 1 1 41 41 LEU CD2 C 13 27.966 0.048 . 2 . . . A 44 LEU CD2 . 17918 1 501 . 1 1 41 41 LEU N N 15 121.081 0.028 . 1 . . . A 44 LEU N . 17918 1 502 . 1 1 42 42 GLN H H 1 8.971 0.004 . 1 . . . A 45 GLN H . 17918 1 503 . 1 1 42 42 GLN HA H 1 4.029 0.017 . 1 . . . A 45 GLN HA . 17918 1 504 . 1 1 42 42 GLN HB2 H 1 2.274 0.021 . 2 . . . A 45 GLN HB2 . 17918 1 505 . 1 1 42 42 GLN HB3 H 1 1.973 0.014 . 2 . . . A 45 GLN HB3 . 17918 1 506 . 1 1 42 42 GLN HG2 H 1 2.595 0.011 . 2 . . . A 45 GLN HG2 . 17918 1 507 . 1 1 42 42 GLN HG3 H 1 2.359 0.017 . 2 . . . A 45 GLN HG3 . 17918 1 508 . 1 1 42 42 GLN HE21 H 1 6.692 0.002 . 2 . . . A 45 GLN HE21 . 17918 1 509 . 1 1 42 42 GLN HE22 H 1 7.171 0.002 . 2 . . . A 45 GLN HE22 . 17918 1 510 . 1 1 42 42 GLN C C 13 179.911 0.001 . 1 . . . A 45 GLN C . 17918 1 511 . 1 1 42 42 GLN CA C 13 60.359 0.132 . 1 . . . A 45 GLN CA . 17918 1 512 . 1 1 42 42 GLN CB C 13 29.022 0.043 . 1 . . . A 45 GLN CB . 17918 1 513 . 1 1 42 42 GLN CG C 13 35.452 0.048 . 1 . . . A 45 GLN CG . 17918 1 514 . 1 1 42 42 GLN N N 15 121.129 0.045 . 1 . . . A 45 GLN N . 17918 1 515 . 1 1 42 42 GLN NE2 N 15 110.923 0.035 . 1 . . . A 45 GLN NE2 . 17918 1 516 . 1 1 43 43 LYS H H 1 7.769 0.005 . 1 . . . A 46 LYS H . 17918 1 517 . 1 1 43 43 LYS HA H 1 4.007 0.014 . 1 . . . A 46 LYS HA . 17918 1 518 . 1 1 43 43 LYS HB2 H 1 1.942 0.017 . 2 . . . A 46 LYS HB2 . 17918 1 519 . 1 1 43 43 LYS HB3 H 1 1.886 0.016 . 2 . . . A 46 LYS HB3 . 17918 1 520 . 1 1 43 43 LYS HG2 H 1 0.819 0.017 . 2 . . . A 46 LYS HG2 . 17918 1 521 . 1 1 43 43 LYS HG3 H 1 1.359 0.019 . 2 . . . A 46 LYS HG3 . 17918 1 522 . 1 1 43 43 LYS HD2 H 1 1.37 0.007 . 2 . . . A 46 LYS HD2 . 17918 1 523 . 1 1 43 43 LYS HD3 H 1 1.502 0.010 . 2 . . . A 46 LYS HD3 . 17918 1 524 . 1 1 43 43 LYS HE2 H 1 2.73 0.006 . 2 . . . A 46 LYS HE2 . 17918 1 525 . 1 1 43 43 LYS HE3 H 1 2.551 0.011 . 2 . . . A 46 LYS HE3 . 17918 1 526 . 1 1 43 43 LYS C C 13 180.898 0.001 . 1 . . . A 46 LYS C . 17918 1 527 . 1 1 43 43 LYS CA C 13 60.644 0.081 . 1 . . . A 46 LYS CA . 17918 1 528 . 1 1 43 43 LYS CB C 13 32.464 0.052 . 1 . . . A 46 LYS CB . 17918 1 529 . 1 1 43 43 LYS CG C 13 25.333 0.034 . 1 . . . A 46 LYS CG . 17918 1 530 . 1 1 43 43 LYS CD C 13 30.162 0.094 . 1 . . . A 46 LYS CD . 17918 1 531 . 1 1 43 43 LYS CE C 13 42.548 0.081 . 1 . . . A 46 LYS CE . 17918 1 532 . 1 1 43 43 LYS N N 15 121.83 0.050 . 1 . . . A 46 LYS N . 17918 1 533 . 1 1 44 44 TRP H H 1 8.002 0.006 . 1 . . . A 47 TRP H . 17918 1 534 . 1 1 44 44 TRP HA H 1 3.956 0.017 . 1 . . . A 47 TRP HA . 17918 1 535 . 1 1 44 44 TRP HB2 H 1 2.955 0.021 . 2 . . . A 47 TRP HB2 . 17918 1 536 . 1 1 44 44 TRP HB3 H 1 3.036 0.009 . 2 . . . A 47 TRP HB3 . 17918 1 537 . 1 1 44 44 TRP HD1 H 1 7.438 0.006 . 1 . . . A 47 TRP HD1 . 17918 1 538 . 1 1 44 44 TRP HE1 H 1 10.388 0.003 . 1 . . . A 47 TRP HE1 . 17918 1 539 . 1 1 44 44 TRP HE3 H 1 7.452 0.001 . 1 . . . A 47 TRP HE3 . 17918 1 540 . 1 1 44 44 TRP HZ2 H 1 7.584 0.001 . 1 . . . A 47 TRP HZ2 . 17918 1 541 . 1 1 44 44 TRP C C 13 179.173 0.001 . 1 . . . A 47 TRP C . 17918 1 542 . 1 1 44 44 TRP CA C 13 63.046 0.051 . 1 . . . A 47 TRP CA . 17918 1 543 . 1 1 44 44 TRP CB C 13 29.615 0.062 . 1 . . . A 47 TRP CB . 17918 1 544 . 1 1 44 44 TRP N N 15 119.737 0.050 . 1 . . . A 47 TRP N . 17918 1 545 . 1 1 44 44 TRP NE1 N 15 130.015 0.049 . 1 . . . A 47 TRP NE1 . 17918 1 546 . 1 1 45 45 SER H H 1 8.901 0.004 . 1 . . . A 48 SER H . 17918 1 547 . 1 1 45 45 SER HA H 1 4.072 0.015 . 1 . . . A 48 SER HA . 17918 1 548 . 1 1 45 45 SER HB2 H 1 2.119 0.022 . 2 . . . A 48 SER HB2 . 17918 1 549 . 1 1 45 45 SER HB3 H 1 0.968 0.004 . 2 . . . A 48 SER HB3 . 17918 1 550 . 1 1 45 45 SER HG H 1 4.763 0.001 . 1 . . . A 48 SER HG . 17918 1 551 . 1 1 45 45 SER C C 13 178.249 0.001 . 1 . . . A 48 SER C . 17918 1 552 . 1 1 45 45 SER CA C 13 63.707 0.078 . 1 . . . A 48 SER CA . 17918 1 553 . 1 1 45 45 SER N N 15 114.94 0.062 . 1 . . . A 48 SER N . 17918 1 554 . 1 1 46 46 GLN H H 1 7.95 0.003 . 1 . . . A 49 GLN H . 17918 1 555 . 1 1 46 46 GLN HA H 1 4.197 0.019 . 1 . . . A 49 GLN HA . 17918 1 556 . 1 1 46 46 GLN HB2 H 1 1.422 0.018 . 2 . . . A 49 GLN HB2 . 17918 1 557 . 1 1 46 46 GLN HB3 H 1 2.206 0.015 . 2 . . . A 49 GLN HB3 . 17918 1 558 . 1 1 46 46 GLN HG2 H 1 2.447 0.022 . 2 . . . A 49 GLN HG2 . 17918 1 559 . 1 1 46 46 GLN HG3 H 1 2.532 0.012 . 2 . . . A 49 GLN HG3 . 17918 1 560 . 1 1 46 46 GLN HE21 H 1 6.812 0.006 . 2 . . . A 49 GLN HE21 . 17918 1 561 . 1 1 46 46 GLN HE22 H 1 7.389 0.001 . 2 . . . A 49 GLN HE22 . 17918 1 562 . 1 1 46 46 GLN C C 13 179.809 0.001 . 1 . . . A 49 GLN C . 17918 1 563 . 1 1 46 46 GLN CA C 13 59.859 0.075 . 1 . . . A 49 GLN CA . 17918 1 564 . 1 1 46 46 GLN CB C 13 29.193 0.066 . 1 . . . A 49 GLN CB . 17918 1 565 . 1 1 46 46 GLN CG C 13 34.922 0.126 . 1 . . . A 49 GLN CG . 17918 1 566 . 1 1 46 46 GLN N N 15 121.411 0.029 . 1 . . . A 49 GLN N . 17918 1 567 . 1 1 46 46 GLN NE2 N 15 112.127 0.051 . 1 . . . A 49 GLN NE2 . 17918 1 568 . 1 1 47 47 ARG H H 1 7.834 0.005 . 1 . . . A 50 ARG H . 17918 1 569 . 1 1 47 47 ARG HA H 1 4.051 0.015 . 1 . . . A 50 ARG HA . 17918 1 570 . 1 1 47 47 ARG HB2 H 1 1.779 0.018 . 2 . . . A 50 ARG HB2 . 17918 1 571 . 1 1 47 47 ARG HB3 H 1 2.398 0.025 . 2 . . . A 50 ARG HB3 . 17918 1 572 . 1 1 47 47 ARG HG2 H 1 1.815 0.018 . 2 . . . A 50 ARG HG2 . 17918 1 573 . 1 1 47 47 ARG HG3 H 1 1.437 0.014 . 2 . . . A 50 ARG HG3 . 17918 1 574 . 1 1 47 47 ARG HD2 H 1 2.444 0.013 . 2 . . . A 50 ARG HD2 . 17918 1 575 . 1 1 47 47 ARG HD3 H 1 2.269 0.018 . 2 . . . A 50 ARG HD3 . 17918 1 576 . 1 1 47 47 ARG HE H 1 7.235 0.001 . 1 . . . A 50 ARG HE . 17918 1 577 . 1 1 47 47 ARG HH12 H 1 6.88 0.001 . 2 . . . A 50 ARG HH12 . 17918 1 578 . 1 1 47 47 ARG C C 13 179.464 0.001 . 1 . . . A 50 ARG C . 17918 1 579 . 1 1 47 47 ARG CA C 13 61.047 0.174 . 1 . . . A 50 ARG CA . 17918 1 580 . 1 1 47 47 ARG CB C 13 31.993 0.088 . 1 . . . A 50 ARG CB . 17918 1 581 . 1 1 47 47 ARG CG C 13 28.543 0.125 . 1 . . . A 50 ARG CG . 17918 1 582 . 1 1 47 47 ARG CD C 13 44.458 0.081 . 1 . . . A 50 ARG CD . 17918 1 583 . 1 1 47 47 ARG N N 15 121.809 0.033 . 1 . . . A 50 ARG N . 17918 1 584 . 1 1 48 48 ILE H H 1 8.127 0.006 . 1 . . . A 51 ILE H . 17918 1 585 . 1 1 48 48 ILE HA H 1 4.488 0.015 . 1 . . . A 51 ILE HA . 17918 1 586 . 1 1 48 48 ILE HB H 1 1.861 0.026 . 1 . . . A 51 ILE HB . 17918 1 587 . 1 1 48 48 ILE HG12 H 1 0.177 0.001 . 2 . . . A 51 ILE HG12 . 17918 1 588 . 1 1 48 48 ILE HG13 H 1 0.671 0.015 . 2 . . . A 51 ILE HG13 . 17918 1 589 . 1 1 48 48 ILE HG21 H 1 1.11 0.014 . 1 . . . A 51 ILE HG2* . 17918 1 590 . 1 1 48 48 ILE HG22 H 1 1.11 0.014 . 1 . . . A 51 ILE HG2* . 17918 1 591 . 1 1 48 48 ILE HG23 H 1 1.11 0.014 . 1 . . . A 51 ILE HG2* . 17918 1 592 . 1 1 48 48 ILE HD11 H 1 0.668 0.015 . 1 . . . A 51 ILE HD1* . 17918 1 593 . 1 1 48 48 ILE HD12 H 1 0.668 0.015 . 1 . . . A 51 ILE HD1* . 17918 1 594 . 1 1 48 48 ILE HD13 H 1 0.668 0.015 . 1 . . . A 51 ILE HD1* . 17918 1 595 . 1 1 48 48 ILE C C 13 181.848 0.005 . 1 . . . A 51 ILE C . 17918 1 596 . 1 1 48 48 ILE CA C 13 64.563 0.082 . 1 . . . A 51 ILE CA . 17918 1 597 . 1 1 48 48 ILE CB C 13 40.693 0.062 . 1 . . . A 51 ILE CB . 17918 1 598 . 1 1 48 48 ILE CG1 C 13 30.073 0.045 . 1 . . . A 51 ILE CG1 . 17918 1 599 . 1 1 48 48 ILE CG2 C 13 19.126 0.059 . 1 . . . A 51 ILE CG2 . 17918 1 600 . 1 1 48 48 ILE CD1 C 13 16.236 0.052 . 1 . . . A 51 ILE CD1 . 17918 1 601 . 1 1 48 48 ILE N N 15 120.569 0.075 . 1 . . . A 51 ILE N . 17918 1 602 . 1 1 49 49 ALA H H 1 8.526 0.008 . 1 . . . A 52 ALA H . 17918 1 603 . 1 1 49 49 ALA HA H 1 4.209 0.010 . 1 . . . A 52 ALA HA . 17918 1 604 . 1 1 49 49 ALA HB1 H 1 1.571 0.011 . 1 . . . A 52 ALA HB* . 17918 1 605 . 1 1 49 49 ALA HB2 H 1 1.571 0.011 . 1 . . . A 52 ALA HB* . 17918 1 606 . 1 1 49 49 ALA HB3 H 1 1.571 0.011 . 1 . . . A 52 ALA HB* . 17918 1 607 . 1 1 49 49 ALA C C 13 181.12 0.001 . 1 . . . A 52 ALA C . 17918 1 608 . 1 1 49 49 ALA CA C 13 56.419 0.130 . 1 . . . A 52 ALA CA . 17918 1 609 . 1 1 49 49 ALA CB C 13 19.416 0.068 . 1 . . . A 52 ALA CB . 17918 1 610 . 1 1 49 49 ALA N N 15 124.538 0.042 . 1 . . . A 52 ALA N . 17918 1 611 . 1 1 50 50 SER H H 1 8.124 0.005 . 1 . . . A 53 SER H . 17918 1 612 . 1 1 50 50 SER HA H 1 4.428 0.014 . 1 . . . A 53 SER HA . 17918 1 613 . 1 1 50 50 SER HB2 H 1 4.095 0.013 . 2 . . . A 53 SER HB2 . 17918 1 614 . 1 1 50 50 SER HB3 H 1 4.19 0.020 . 2 . . . A 53 SER HB3 . 17918 1 615 . 1 1 50 50 SER HG H 1 4.767 0.002 . 1 . . . A 53 SER HG . 17918 1 616 . 1 1 50 50 SER C C 13 176.608 0.001 . 1 . . . A 53 SER C . 17918 1 617 . 1 1 50 50 SER CA C 13 60.248 0.135 . 1 . . . A 53 SER CA . 17918 1 618 . 1 1 50 50 SER CB C 13 65.098 0.085 . 1 . . . A 53 SER CB . 17918 1 619 . 1 1 50 50 SER N N 15 111.097 0.047 . 1 . . . A 53 SER N . 17918 1 620 . 1 1 51 51 GLY H H 1 7.904 0.006 . 1 . . . A 54 GLY H . 17918 1 621 . 1 1 51 51 GLY HA2 H 1 4.244 0.014 . 2 . . . A 54 GLY HA2 . 17918 1 622 . 1 1 51 51 GLY HA3 H 1 3.876 0.014 . 2 . . . A 54 GLY HA3 . 17918 1 623 . 1 1 51 51 GLY C C 13 175.699 0.001 . 1 . . . A 54 GLY C . 17918 1 624 . 1 1 51 51 GLY CA C 13 46.431 0.070 . 1 . . . A 54 GLY CA . 17918 1 625 . 1 1 51 51 GLY N N 15 110.581 0.050 . 1 . . . A 54 GLY N . 17918 1 626 . 1 1 52 52 GLU H H 1 8.204 0.008 . 1 . . . A 55 GLU H . 17918 1 627 . 1 1 52 52 GLU HA H 1 4.003 0.018 . 1 . . . A 55 GLU HA . 17918 1 628 . 1 1 52 52 GLU HB2 H 1 2.062 0.022 . 2 . . . A 55 GLU HB2 . 17918 1 629 . 1 1 52 52 GLU HB3 H 1 2.018 0.012 . 2 . . . A 55 GLU HB3 . 17918 1 630 . 1 1 52 52 GLU HG2 H 1 2.232 0.020 . 2 . . . A 55 GLU HG2 . 17918 1 631 . 1 1 52 52 GLU HG3 H 1 2.319 0.025 . 2 . . . A 55 GLU HG3 . 17918 1 632 . 1 1 52 52 GLU C C 13 177.647 0.001 . 1 . . . A 55 GLU C . 17918 1 633 . 1 1 52 52 GLU CA C 13 60.088 0.069 . 1 . . . A 55 GLU CA . 17918 1 634 . 1 1 52 52 GLU CB C 13 31.623 0.071 . 1 . . . A 55 GLU CB . 17918 1 635 . 1 1 52 52 GLU CG C 13 37.482 0.144 . 1 . . . A 55 GLU CG . 17918 1 636 . 1 1 52 52 GLU N N 15 122.231 0.085 . 1 . . . A 55 GLU N . 17918 1 637 . 1 1 53 53 VAL H H 1 7.274 0.005 . 1 . . . A 56 VAL H . 17918 1 638 . 1 1 53 53 VAL HA H 1 4.579 0.019 . 1 . . . A 56 VAL HA . 17918 1 639 . 1 1 53 53 VAL HB H 1 2.13 0.013 . 1 . . . A 56 VAL HB . 17918 1 640 . 1 1 53 53 VAL HG11 H 1 0.921 0.010 . 2 . . . A 56 VAL HG1* . 17918 1 641 . 1 1 53 53 VAL HG12 H 1 0.921 0.010 . 2 . . . A 56 VAL HG1* . 17918 1 642 . 1 1 53 53 VAL HG13 H 1 0.921 0.010 . 2 . . . A 56 VAL HG1* . 17918 1 643 . 1 1 53 53 VAL HG21 H 1 0.907 0.013 . 2 . . . A 56 VAL HG2* . 17918 1 644 . 1 1 53 53 VAL HG22 H 1 0.907 0.013 . 2 . . . A 56 VAL HG2* . 17918 1 645 . 1 1 53 53 VAL HG23 H 1 0.907 0.013 . 2 . . . A 56 VAL HG2* . 17918 1 646 . 1 1 53 53 VAL C C 13 175.225 0.001 . 1 . . . A 56 VAL C . 17918 1 647 . 1 1 53 53 VAL CA C 13 59.684 0.101 . 1 . . . A 56 VAL CA . 17918 1 648 . 1 1 53 53 VAL CB C 13 36.533 0.039 . 1 . . . A 56 VAL CB . 17918 1 649 . 1 1 53 53 VAL CG1 C 13 22.817 0.070 . 2 . . . A 56 VAL CG1 . 17918 1 650 . 1 1 53 53 VAL CG2 C 13 21.71 0.026 . 2 . . . A 56 VAL CG2 . 17918 1 651 . 1 1 53 53 VAL N N 15 111.615 0.041 . 1 . . . A 56 VAL N . 17918 1 652 . 1 1 54 54 SER H H 1 8.637 0.007 . 1 . . . A 57 SER H . 17918 1 653 . 1 1 54 54 SER HA H 1 4.692 0.013 . 1 . . . A 57 SER HA . 17918 1 654 . 1 1 54 54 SER HB2 H 1 4.466 0.011 . 2 . . . A 57 SER HB2 . 17918 1 655 . 1 1 54 54 SER HB3 H 1 4.095 0.009 . 2 . . . A 57 SER HB3 . 17918 1 656 . 1 1 54 54 SER C C 13 176.092 0.001 . 1 . . . A 57 SER C . 17918 1 657 . 1 1 54 54 SER CA C 13 58.189 0.090 . 1 . . . A 57 SER CA . 17918 1 658 . 1 1 54 54 SER CB C 13 66.447 0.055 . 1 . . . A 57 SER CB . 17918 1 659 . 1 1 54 54 SER N N 15 119.532 0.047 . 1 . . . A 57 SER N . 17918 1 660 . 1 1 55 55 PHE H H 1 9.326 0.004 . 1 . . . A 58 PHE H . 17918 1 661 . 1 1 55 55 PHE HA H 1 3.654 0.011 . 1 . . . A 58 PHE HA . 17918 1 662 . 1 1 55 55 PHE HB2 H 1 3.076 0.018 . 2 . . . A 58 PHE HB2 . 17918 1 663 . 1 1 55 55 PHE HB3 H 1 3.03 0.008 . 2 . . . A 58 PHE HB3 . 17918 1 664 . 1 1 55 55 PHE HD1 H 1 7.03 0.005 . 3 . . . A 58 PHE HD* . 17918 1 665 . 1 1 55 55 PHE HD2 H 1 7.03 0.005 . 3 . . . A 58 PHE HD* . 17918 1 666 . 1 1 55 55 PHE HE1 H 1 7.222 0.001 . 3 . . . A 58 PHE HE* . 17918 1 667 . 1 1 55 55 PHE HE2 H 1 7.222 0.001 . 3 . . . A 58 PHE HE* . 17918 1 668 . 1 1 55 55 PHE HZ H 1 6.9 0.001 . 1 . . . A 58 PHE HZ . 17918 1 669 . 1 1 55 55 PHE C C 13 177.469 0.001 . 1 . . . A 58 PHE C . 17918 1 670 . 1 1 55 55 PHE CA C 13 63.857 0.064 . 1 . . . A 58 PHE CA . 17918 1 671 . 1 1 55 55 PHE CB C 13 40.966 0.066 . 1 . . . A 58 PHE CB . 17918 1 672 . 1 1 55 55 PHE N N 15 123.609 0.073 . 1 . . . A 58 PHE N . 17918 1 673 . 1 1 56 56 GLU H H 1 9.464 0.004 . 1 . . . A 59 GLU H . 17918 1 674 . 1 1 56 56 GLU HA H 1 4.205 0.018 . 1 . . . A 59 GLU HA . 17918 1 675 . 1 1 56 56 GLU HB2 H 1 2.136 0.012 . 2 . . . A 59 GLU HB2 . 17918 1 676 . 1 1 56 56 GLU HB3 H 1 2.234 0.031 . 2 . . . A 59 GLU HB3 . 17918 1 677 . 1 1 56 56 GLU HG2 H 1 2.698 0.021 . 2 . . . A 59 GLU HG2 . 17918 1 678 . 1 1 56 56 GLU HG3 H 1 2.596 0.037 . 2 . . . A 59 GLU HG3 . 17918 1 679 . 1 1 56 56 GLU C C 13 180.852 0.001 . 1 . . . A 59 GLU C . 17918 1 680 . 1 1 56 56 GLU CA C 13 61.367 0.076 . 1 . . . A 59 GLU CA . 17918 1 681 . 1 1 56 56 GLU CB C 13 29.83 0.071 . 1 . . . A 59 GLU CB . 17918 1 682 . 1 1 56 56 GLU CG C 13 38.52 0.040 . 1 . . . A 59 GLU CG . 17918 1 683 . 1 1 56 56 GLU N N 15 116.994 0.044 . 1 . . . A 59 GLU N . 17918 1 684 . 1 1 57 57 GLU H H 1 7.978 0.005 . 1 . . . A 60 GLU H . 17918 1 685 . 1 1 57 57 GLU HA H 1 4.023 0.010 . 1 . . . A 60 GLU HA . 17918 1 686 . 1 1 57 57 GLU HB2 H 1 2.246 0.014 . 2 . . . A 60 GLU HB2 . 17918 1 687 . 1 1 57 57 GLU HB3 H 1 1.963 0.001 . 2 . . . A 60 GLU HB3 . 17918 1 688 . 1 1 57 57 GLU HG2 H 1 1.975 0.009 . 2 . . . A 60 GLU HG2 . 17918 1 689 . 1 1 57 57 GLU HG3 H 1 1.95 0.011 . 2 . . . A 60 GLU HG3 . 17918 1 690 . 1 1 57 57 GLU C C 13 179.899 0.001 . 1 . . . A 60 GLU C . 17918 1 691 . 1 1 57 57 GLU CA C 13 60.013 0.076 . 1 . . . A 60 GLU CA . 17918 1 692 . 1 1 57 57 GLU CB C 13 31.185 0.071 . 1 . . . A 60 GLU CB . 17918 1 693 . 1 1 57 57 GLU CG C 13 37.921 0.040 . 1 . . . A 60 GLU CG . 17918 1 694 . 1 1 57 57 GLU N N 15 122.452 0.047 . 1 . . . A 60 GLU N . 17918 1 695 . 1 1 58 58 ALA H H 1 8.157 0.006 . 1 . . . A 61 ALA H . 17918 1 696 . 1 1 58 58 ALA HA H 1 3.581 0.014 . 1 . . . A 61 ALA HA . 17918 1 697 . 1 1 58 58 ALA HB1 H 1 1.165 0.018 . 1 . . . A 61 ALA HB* . 17918 1 698 . 1 1 58 58 ALA HB2 H 1 1.165 0.018 . 1 . . . A 61 ALA HB* . 17918 1 699 . 1 1 58 58 ALA HB3 H 1 1.165 0.018 . 1 . . . A 61 ALA HB* . 17918 1 700 . 1 1 58 58 ALA C C 13 179.854 0.001 . 1 . . . A 61 ALA C . 17918 1 701 . 1 1 58 58 ALA CA C 13 55.881 0.072 . 1 . . . A 61 ALA CA . 17918 1 702 . 1 1 58 58 ALA CB C 13 20.06 0.043 . 1 . . . A 61 ALA CB . 17918 1 703 . 1 1 58 58 ALA N N 15 123.053 0.041 . 1 . . . A 61 ALA N . 17918 1 704 . 1 1 59 59 ALA H H 1 8.54 0.004 . 1 . . . A 62 ALA H . 17918 1 705 . 1 1 59 59 ALA HA H 1 3.552 0.014 . 1 . . . A 62 ALA HA . 17918 1 706 . 1 1 59 59 ALA HB1 H 1 1.117 0.015 . 1 . . . A 62 ALA HB* . 17918 1 707 . 1 1 59 59 ALA HB2 H 1 1.117 0.015 . 1 . . . A 62 ALA HB* . 17918 1 708 . 1 1 59 59 ALA HB3 H 1 1.117 0.015 . 1 . . . A 62 ALA HB* . 17918 1 709 . 1 1 59 59 ALA C C 13 181.08 0.001 . 1 . . . A 62 ALA C . 17918 1 710 . 1 1 59 59 ALA CA C 13 56.418 0.067 . 1 . . . A 62 ALA CA . 17918 1 711 . 1 1 59 59 ALA CB C 13 18.042 0.046 . 1 . . . A 62 ALA CB . 17918 1 712 . 1 1 59 59 ALA N N 15 120.029 0.042 . 1 . . . A 62 ALA N . 17918 1 713 . 1 1 60 60 SER H H 1 8.013 0.005 . 1 . . . A 63 SER H . 17918 1 714 . 1 1 60 60 SER HA H 1 4.766 0.014 . 1 . . . A 63 SER HA . 17918 1 715 . 1 1 60 60 SER HB2 H 1 4.094 0.014 . 2 . . . A 63 SER HB2 . 17918 1 716 . 1 1 60 60 SER HB3 H 1 4.037 0.006 . 2 . . . A 63 SER HB3 . 17918 1 717 . 1 1 60 60 SER C C 13 176.299 0.001 . 1 . . . A 63 SER C . 17918 1 718 . 1 1 60 60 SER CA C 13 62.414 0.060 . 1 . . . A 63 SER CA . 17918 1 719 . 1 1 60 60 SER CB C 13 64.687 0.083 . 1 . . . A 63 SER CB . 17918 1 720 . 1 1 60 60 SER N N 15 113.01 0.087 . 1 . . . A 63 SER N . 17918 1 721 . 1 1 61 61 GLN H H 1 7.496 0.003 . 1 . . . A 64 GLN H . 17918 1 722 . 1 1 61 61 GLN HA H 1 4.13 0.021 . 1 . . . A 64 GLN HA . 17918 1 723 . 1 1 61 61 GLN HB2 H 1 1.944 0.022 . 2 . . . A 64 GLN HB2 . 17918 1 724 . 1 1 61 61 GLN HB3 H 1 1.812 0.028 . 2 . . . A 64 GLN HB3 . 17918 1 725 . 1 1 61 61 GLN HG2 H 1 2.589 0.014 . 2 . . . A 64 GLN HG2 . 17918 1 726 . 1 1 61 61 GLN HG3 H 1 2.397 0.012 . 2 . . . A 64 GLN HG3 . 17918 1 727 . 1 1 61 61 GLN HE21 H 1 6.87 0.009 . 2 . . . A 64 GLN HE21 . 17918 1 728 . 1 1 61 61 GLN HE22 H 1 7.442 0.004 . 2 . . . A 64 GLN HE22 . 17918 1 729 . 1 1 61 61 GLN C C 13 178.579 0.001 . 1 . . . A 64 GLN C . 17918 1 730 . 1 1 61 61 GLN CA C 13 58.366 0.087 . 1 . . . A 64 GLN CA . 17918 1 731 . 1 1 61 61 GLN CB C 13 31.376 0.107 . 1 . . . A 64 GLN CB . 17918 1 732 . 1 1 61 61 GLN CG C 13 35.55 0.063 . 1 . . . A 64 GLN CG . 17918 1 733 . 1 1 61 61 GLN N N 15 115.83 0.034 . 1 . . . A 64 GLN N . 17918 1 734 . 1 1 61 61 GLN NE2 N 15 111.391 0.033 . 1 . . . A 64 GLN NE2 . 17918 1 735 . 1 1 62 62 ARG H H 1 7.693 0.005 . 1 . . . A 65 ARG H . 17918 1 736 . 1 1 62 62 ARG HA H 1 4.461 0.015 . 1 . . . A 65 ARG HA . 17918 1 737 . 1 1 62 62 ARG HB2 H 1 0.536 0.016 . 2 . . . A 65 ARG HB2 . 17918 1 738 . 1 1 62 62 ARG HB3 H 1 0.381 0.011 . 2 . . . A 65 ARG HB3 . 17918 1 739 . 1 1 62 62 ARG HG2 H 1 1.151 0.026 . 2 . . . A 65 ARG HG2 . 17918 1 740 . 1 1 62 62 ARG HG3 H 1 0.949 0.021 . 2 . . . A 65 ARG HG3 . 17918 1 741 . 1 1 62 62 ARG HD2 H 1 3.051 0.012 . 2 . . . A 65 ARG HD2 . 17918 1 742 . 1 1 62 62 ARG HD3 H 1 3.35 0.013 . 2 . . . A 65 ARG HD3 . 17918 1 743 . 1 1 62 62 ARG HE H 1 8.256 0.011 . 1 . . . A 65 ARG HE . 17918 1 744 . 1 1 62 62 ARG HH12 H 1 6.897 0.001 . 2 . . . A 65 ARG HH12 . 17918 1 745 . 1 1 62 62 ARG HH11 H 1 7.326 0.001 . 2 . . . A 65 ARG HH11 . 17918 1 746 . 1 1 62 62 ARG C C 13 176.601 0.001 . 1 . . . A 65 ARG C . 17918 1 747 . 1 1 62 62 ARG CA C 13 52.631 0.086 . 1 . . . A 65 ARG CA . 17918 1 748 . 1 1 62 62 ARG CB C 13 32.656 0.013 . 1 . . . A 65 ARG CB . 17918 1 749 . 1 1 62 62 ARG CG C 13 28.02 0.047 . 1 . . . A 65 ARG CG . 17918 1 750 . 1 1 62 62 ARG CD C 13 43.247 0.103 . 1 . . . A 65 ARG CD . 17918 1 751 . 1 1 62 62 ARG N N 15 115.716 0.042 . 1 . . . A 65 ARG N . 17918 1 752 . 1 1 62 62 ARG NE N 15 112.212 0.058 . 1 . . . A 65 ARG NE . 17918 1 753 . 1 1 63 63 SER H H 1 8.528 0.005 . 1 . . . A 66 SER H . 17918 1 754 . 1 1 63 63 SER HA H 1 4.222 0.019 . 1 . . . A 66 SER HA . 17918 1 755 . 1 1 63 63 SER HB2 H 1 4.183 0.013 . 2 . . . A 66 SER HB2 . 17918 1 756 . 1 1 63 63 SER HB3 H 1 3.867 0.015 . 2 . . . A 66 SER HB3 . 17918 1 757 . 1 1 63 63 SER HG H 1 6.889 0.001 . 1 . . . A 66 SER HG . 17918 1 758 . 1 1 63 63 SER C C 13 177.034 0.013 . 1 . . . A 66 SER C . 17918 1 759 . 1 1 63 63 SER CA C 13 59.677 0.015 . 1 . . . A 66 SER CA . 17918 1 760 . 1 1 63 63 SER CB C 13 65.786 0.001 . 1 . . . A 66 SER CB . 17918 1 761 . 1 1 63 63 SER N N 15 114.68 0.054 . 1 . . . A 66 SER N . 17918 1 762 . 1 1 64 64 ASP H H 1 9.645 0.004 . 1 . . . A 67 ASP H . 17918 1 763 . 1 1 64 64 ASP HA H 1 4.899 0.015 . 1 . . . A 67 ASP HA . 17918 1 764 . 1 1 64 64 ASP HB2 H 1 2.882 0.017 . 2 . . . A 67 ASP HB2 . 17918 1 765 . 1 1 64 64 ASP HB3 H 1 2.339 0.017 . 2 . . . A 67 ASP HB3 . 17918 1 766 . 1 1 64 64 ASP C C 13 176.674 0.001 . 1 . . . A 67 ASP C . 17918 1 767 . 1 1 64 64 ASP CA C 13 55.991 0.058 . 1 . . . A 67 ASP CA . 17918 1 768 . 1 1 64 64 ASP CB C 13 43.657 0.045 . 1 . . . A 67 ASP CB . 17918 1 769 . 1 1 64 64 ASP N N 15 123.612 0.031 . 1 . . . A 67 ASP N . 17918 1 770 . 1 1 65 65 CYS H H 1 7.903 0.007 . 1 . . . A 68 CYS H . 17918 1 771 . 1 1 65 65 CYS HA H 1 4.445 0.015 . 1 . . . A 68 CYS HA . 17918 1 772 . 1 1 65 65 CYS HB2 H 1 2.877 0.012 . 2 . . . A 68 CYS HB2 . 17918 1 773 . 1 1 65 65 CYS HB3 H 1 2.435 0.015 . 2 . . . A 68 CYS HB3 . 17918 1 774 . 1 1 65 65 CYS C C 13 177.747 0.001 . 1 . . . A 68 CYS C . 17918 1 775 . 1 1 65 65 CYS CA C 13 60.118 0.046 . 1 . . . A 68 CYS CA . 17918 1 776 . 1 1 65 65 CYS CB C 13 30.459 0.067 . 1 . . . A 68 CYS CB . 17918 1 777 . 1 1 65 65 CYS N N 15 124.716 0.071 . 1 . . . A 68 CYS N . 17918 1 778 . 1 1 66 66 GLY H H 1 8.811 0.003 . 1 . . . A 69 GLY H . 17918 1 779 . 1 1 66 66 GLY HA2 H 1 4.259 0.019 . 2 . . . A 69 GLY HA2 . 17918 1 780 . 1 1 66 66 GLY HA3 H 1 3.927 0.017 . 2 . . . A 69 GLY HA3 . 17918 1 781 . 1 1 66 66 GLY C C 13 175.872 0.001 . 1 . . . A 69 GLY C . 17918 1 782 . 1 1 66 66 GLY CA C 13 48.942 0.076 . 1 . . . A 69 GLY CA . 17918 1 783 . 1 1 66 66 GLY N N 15 118.503 0.045 . 1 . . . A 69 GLY N . 17918 1 784 . 1 1 67 67 SER H H 1 9.556 0.005 . 1 . . . A 70 SER H . 17918 1 785 . 1 1 67 67 SER HA H 1 4.245 0.017 . 1 . . . A 70 SER HA . 17918 1 786 . 1 1 67 67 SER HB2 H 1 3.971 0.022 . 2 . . . A 70 SER HB2 . 17918 1 787 . 1 1 67 67 SER HB3 H 1 3.858 0.013 . 2 . . . A 70 SER HB3 . 17918 1 788 . 1 1 67 67 SER HG H 1 4.763 0.001 . 1 . . . A 70 SER HG . 17918 1 789 . 1 1 67 67 SER C C 13 178.404 0.001 . 1 . . . A 70 SER C . 17918 1 790 . 1 1 67 67 SER CA C 13 61.611 0.075 . 1 . . . A 70 SER CA . 17918 1 791 . 1 1 67 67 SER CB C 13 64.297 0.089 . 1 . . . A 70 SER CB . 17918 1 792 . 1 1 67 67 SER N N 15 120.316 0.053 . 1 . . . A 70 SER N . 17918 1 793 . 1 1 68 68 TYR H H 1 8.584 0.008 . 1 . . . A 71 TYR H . 17918 1 794 . 1 1 68 68 TYR HA H 1 4.031 0.013 . 1 . . . A 71 TYR HA . 17918 1 795 . 1 1 68 68 TYR HB2 H 1 3.57 0.016 . 2 . . . A 71 TYR HB2 . 17918 1 796 . 1 1 68 68 TYR HB3 H 1 3.274 0.013 . 2 . . . A 71 TYR HB3 . 17918 1 797 . 1 1 68 68 TYR HD1 H 1 7.085 0.001 . 3 . . . A 71 TYR HD* . 17918 1 798 . 1 1 68 68 TYR HD2 H 1 7.085 0.001 . 3 . . . A 71 TYR HD* . 17918 1 799 . 1 1 68 68 TYR HE1 H 1 7.536 0.002 . 3 . . . A 71 TYR HE* . 17918 1 800 . 1 1 68 68 TYR HE2 H 1 7.536 0.002 . 3 . . . A 71 TYR HE* . 17918 1 801 . 1 1 68 68 TYR C C 13 177.613 0.001 . 1 . . . A 71 TYR C . 17918 1 802 . 1 1 68 68 TYR CA C 13 62.392 0.080 . 1 . . . A 71 TYR CA . 17918 1 803 . 1 1 68 68 TYR CB C 13 36.797 0.043 . 1 . . . A 71 TYR CB . 17918 1 804 . 1 1 68 68 TYR N N 15 129.376 0.029 . 1 . . . A 71 TYR N . 17918 1 805 . 1 1 69 69 ALA H H 1 5.645 0.003 . 1 . . . A 72 ALA H . 17918 1 806 . 1 1 69 69 ALA HA H 1 3.645 0.016 . 1 . . . A 72 ALA HA . 17918 1 807 . 1 1 69 69 ALA HB1 H 1 0.902 0.010 . 1 . . . A 72 ALA HB* . 17918 1 808 . 1 1 69 69 ALA HB2 H 1 0.902 0.010 . 1 . . . A 72 ALA HB* . 17918 1 809 . 1 1 69 69 ALA HB3 H 1 0.902 0.010 . 1 . . . A 72 ALA HB* . 17918 1 810 . 1 1 69 69 ALA C C 13 179.011 0.001 . 1 . . . A 72 ALA C . 17918 1 811 . 1 1 69 69 ALA CA C 13 54.29 0.075 . 1 . . . A 72 ALA CA . 17918 1 812 . 1 1 69 69 ALA CB C 13 19.121 0.040 . 1 . . . A 72 ALA CB . 17918 1 813 . 1 1 69 69 ALA N N 15 122.673 0.028 . 1 . . . A 72 ALA N . 17918 1 814 . 1 1 70 70 SER H H 1 7.654 0.005 . 1 . . . A 73 SER H . 17918 1 815 . 1 1 70 70 SER HA H 1 4.782 0.009 . 1 . . . A 73 SER HA . 17918 1 816 . 1 1 70 70 SER HB2 H 1 4.013 0.019 . 2 . . . A 73 SER HB2 . 17918 1 817 . 1 1 70 70 SER HB3 H 1 3.863 0.019 . 2 . . . A 73 SER HB3 . 17918 1 818 . 1 1 70 70 SER HG H 1 5.949 0.001 . 1 . . . A 73 SER HG . 17918 1 819 . 1 1 70 70 SER C C 13 177.32 0.001 . 1 . . . A 73 SER C . 17918 1 820 . 1 1 70 70 SER CA C 13 57.287 0.089 . 1 . . . A 73 SER CA . 17918 1 821 . 1 1 70 70 SER CB C 13 64.538 0.123 . 1 . . . A 73 SER CB . 17918 1 822 . 1 1 70 70 SER N N 15 114.496 0.064 . 1 . . . A 73 SER N . 17918 1 823 . 1 1 71 71 GLY H H 1 7.933 0.005 . 1 . . . A 74 GLY H . 17918 1 824 . 1 1 71 71 GLY HA2 H 1 3.938 0.012 . 2 . . . A 74 GLY HA2 . 17918 1 825 . 1 1 71 71 GLY HA3 H 1 4.006 0.008 . 2 . . . A 74 GLY HA3 . 17918 1 826 . 1 1 71 71 GLY C C 13 174.379 0.001 . 1 . . . A 74 GLY C . 17918 1 827 . 1 1 71 71 GLY CA C 13 48.434 0.103 . 1 . . . A 74 GLY CA . 17918 1 828 . 1 1 71 71 GLY N N 15 112.182 0.048 . 1 . . . A 74 GLY N . 17918 1 829 . 1 1 72 72 GLY H H 1 7.994 0.003 . 1 . . . A 75 GLY H . 17918 1 830 . 1 1 72 72 GLY HA2 H 1 4.428 0.014 . 2 . . . A 75 GLY HA2 . 17918 1 831 . 1 1 72 72 GLY HA3 H 1 3.839 0.014 . 2 . . . A 75 GLY HA3 . 17918 1 832 . 1 1 72 72 GLY C C 13 175.121 0.001 . 1 . . . A 75 GLY C . 17918 1 833 . 1 1 72 72 GLY CA C 13 46.072 0.079 . 1 . . . A 75 GLY CA . 17918 1 834 . 1 1 72 72 GLY N N 15 103.425 0.030 . 1 . . . A 75 GLY N . 17918 1 835 . 1 1 73 73 ASP H H 1 6.956 0.003 . 1 . . . A 76 ASP H . 17918 1 836 . 1 1 73 73 ASP HA H 1 4.414 0.014 . 1 . . . A 76 ASP HA . 17918 1 837 . 1 1 73 73 ASP HB2 H 1 2.898 0.023 . 2 . . . A 76 ASP HB2 . 17918 1 838 . 1 1 73 73 ASP HB3 H 1 2.876 0.010 . 2 . . . A 76 ASP HB3 . 17918 1 839 . 1 1 73 73 ASP C C 13 177.362 0.001 . 1 . . . A 76 ASP C . 17918 1 840 . 1 1 73 73 ASP CA C 13 56.123 0.083 . 1 . . . A 76 ASP CA . 17918 1 841 . 1 1 73 73 ASP CB C 13 42.451 0.043 . 1 . . . A 76 ASP CB . 17918 1 842 . 1 1 73 73 ASP N N 15 118.815 0.053 . 1 . . . A 76 ASP N . 17918 1 843 . 1 1 74 74 LEU H H 1 8.694 0.009 . 1 . . . A 77 LEU H . 17918 1 844 . 1 1 74 74 LEU HA H 1 4.355 0.013 . 1 . . . A 77 LEU HA . 17918 1 845 . 1 1 74 74 LEU HB2 H 1 1.917 0.018 . 2 . . . A 77 LEU HB2 . 17918 1 846 . 1 1 74 74 LEU HB3 H 1 1.51 0.014 . 2 . . . A 77 LEU HB3 . 17918 1 847 . 1 1 74 74 LEU HG H 1 1.793 0.017 . 1 . . . A 77 LEU HG . 17918 1 848 . 1 1 74 74 LEU HD11 H 1 0.737 0.014 . 2 . . . A 77 LEU HD1* . 17918 1 849 . 1 1 74 74 LEU HD12 H 1 0.737 0.014 . 2 . . . A 77 LEU HD1* . 17918 1 850 . 1 1 74 74 LEU HD13 H 1 0.737 0.014 . 2 . . . A 77 LEU HD1* . 17918 1 851 . 1 1 74 74 LEU HD21 H 1 0.191 0.013 . 2 . . . A 77 LEU HD2* . 17918 1 852 . 1 1 74 74 LEU HD22 H 1 0.191 0.013 . 2 . . . A 77 LEU HD2* . 17918 1 853 . 1 1 74 74 LEU HD23 H 1 0.191 0.013 . 2 . . . A 77 LEU HD2* . 17918 1 854 . 1 1 74 74 LEU C C 13 179.412 0.001 . 1 . . . A 77 LEU C . 17918 1 855 . 1 1 74 74 LEU CA C 13 56.134 0.118 . 1 . . . A 77 LEU CA . 17918 1 856 . 1 1 74 74 LEU CB C 13 44.842 0.083 . 1 . . . A 77 LEU CB . 17918 1 857 . 1 1 74 74 LEU CG C 13 27.526 0.108 . 1 . . . A 77 LEU CG . 17918 1 858 . 1 1 74 74 LEU CD1 C 13 23.526 0.205 . 2 . . . A 77 LEU CD1 . 17918 1 859 . 1 1 74 74 LEU CD2 C 13 27.421 0.001 . 2 . . . A 77 LEU CD2 . 17918 1 860 . 1 1 74 74 LEU N N 15 128.72 0.090 . 1 . . . A 77 LEU N . 17918 1 861 . 1 1 75 75 GLY H H 1 8.682 0.006 . 1 . . . A 78 GLY H . 17918 1 862 . 1 1 75 75 GLY HA2 H 1 4.253 0.016 . 2 . . . A 78 GLY HA2 . 17918 1 863 . 1 1 75 75 GLY HA3 H 1 3.447 0.013 . 2 . . . A 78 GLY HA3 . 17918 1 864 . 1 1 75 75 GLY C C 13 173.473 0.001 . 1 . . . A 78 GLY C . 17918 1 865 . 1 1 75 75 GLY CA C 13 45.346 0.081 . 1 . . . A 78 GLY CA . 17918 1 866 . 1 1 75 75 GLY N N 15 109.695 0.059 . 1 . . . A 78 GLY N . 17918 1 867 . 1 1 76 76 PHE H H 1 8.203 0.007 . 1 . . . A 79 PHE H . 17918 1 868 . 1 1 76 76 PHE HA H 1 5.219 0.017 . 1 . . . A 79 PHE HA . 17918 1 869 . 1 1 76 76 PHE HB3 H 1 2.825 0.012 . 2 . . . A 79 PHE HB3 . 17918 1 870 . 1 1 76 76 PHE HD1 H 1 7.425 0.001 . 3 . . . A 79 PHE HD* . 17918 1 871 . 1 1 76 76 PHE HD2 H 1 7.425 0.001 . 3 . . . A 79 PHE HD* . 17918 1 872 . 1 1 76 76 PHE HE1 H 1 7.973 0.001 . 3 . . . A 79 PHE HE* . 17918 1 873 . 1 1 76 76 PHE HE2 H 1 7.973 0.001 . 3 . . . A 79 PHE HE* . 17918 1 874 . 1 1 76 76 PHE HZ H 1 7.101 0.001 . 1 . . . A 79 PHE HZ . 17918 1 875 . 1 1 76 76 PHE C C 13 178.904 0.001 . 1 . . . A 79 PHE C . 17918 1 876 . 1 1 76 76 PHE CA C 13 59.456 0.067 . 1 . . . A 79 PHE CA . 17918 1 877 . 1 1 76 76 PHE CB C 13 41.817 0.063 . 1 . . . A 79 PHE CB . 17918 1 878 . 1 1 76 76 PHE N N 15 115.646 0.038 . 1 . . . A 79 PHE N . 17918 1 879 . 1 1 77 77 PHE H H 1 9.112 0.006 . 1 . . . A 80 PHE H . 17918 1 880 . 1 1 77 77 PHE HA H 1 5.137 0.015 . 1 . . . A 80 PHE HA . 17918 1 881 . 1 1 77 77 PHE HB3 H 1 3.103 0.015 . 2 . . . A 80 PHE HB3 . 17918 1 882 . 1 1 77 77 PHE HD1 H 1 7.292 0.012 . 3 . . . A 80 PHE HD* . 17918 1 883 . 1 1 77 77 PHE HD2 H 1 7.292 0.012 . 3 . . . A 80 PHE HD* . 17918 1 884 . 1 1 77 77 PHE HE1 H 1 7.092 0.011 . 3 . . . A 80 PHE HE* . 17918 1 885 . 1 1 77 77 PHE HE2 H 1 7.092 0.011 . 3 . . . A 80 PHE HE* . 17918 1 886 . 1 1 77 77 PHE HZ H 1 6.972 0.001 . 1 . . . A 80 PHE HZ . 17918 1 887 . 1 1 77 77 PHE C C 13 174.331 0.001 . 1 . . . A 80 PHE C . 17918 1 888 . 1 1 77 77 PHE CA C 13 56.896 0.066 . 1 . . . A 80 PHE CA . 17918 1 889 . 1 1 77 77 PHE CB C 13 42.463 0.045 . 1 . . . A 80 PHE CB . 17918 1 890 . 1 1 77 77 PHE N N 15 119.508 0.051 . 1 . . . A 80 PHE N . 17918 1 891 . 1 1 78 78 SER H H 1 8.93 0.003 . 1 . . . A 81 SER H . 17918 1 892 . 1 1 78 78 SER HA H 1 4.957 0.019 . 1 . . . A 81 SER HA . 17918 1 893 . 1 1 78 78 SER HB2 H 1 3.989 0.014 . 2 . . . A 81 SER HB2 . 17918 1 894 . 1 1 78 78 SER HB3 H 1 3.766 0.017 . 2 . . . A 81 SER HB3 . 17918 1 895 . 1 1 78 78 SER C C 13 176.191 0.001 . 1 . . . A 81 SER C . 17918 1 896 . 1 1 78 78 SER CA C 13 58.065 0.130 . 1 . . . A 81 SER CA . 17918 1 897 . 1 1 78 78 SER CB C 13 66.514 0.100 . 1 . . . A 81 SER CB . 17918 1 898 . 1 1 78 78 SER N N 15 116.578 0.032 . 1 . . . A 81 SER N . 17918 1 899 . 1 1 79 79 SER H H 1 8.751 0.004 . 1 . . . A 82 SER H . 17918 1 900 . 1 1 79 79 SER HA H 1 4.42 0.017 . 1 . . . A 82 SER HA . 17918 1 901 . 1 1 79 79 SER HB2 H 1 4.032 0.001 . 2 . . . A 82 SER HB2 . 17918 1 902 . 1 1 79 79 SER HB3 H 1 3.878 0.021 . 2 . . . A 82 SER HB3 . 17918 1 903 . 1 1 79 79 SER HG H 1 4.764 0.004 . 1 . . . A 82 SER HG . 17918 1 904 . 1 1 79 79 SER C C 13 176.946 0.001 . 1 . . . A 82 SER C . 17918 1 905 . 1 1 79 79 SER CA C 13 60.988 0.077 . 1 . . . A 82 SER CA . 17918 1 906 . 1 1 79 79 SER CB C 13 64.242 0.006 . 1 . . . A 82 SER CB . 17918 1 907 . 1 1 79 79 SER N N 15 118.715 0.023 . 1 . . . A 82 SER N . 17918 1 908 . 1 1 80 80 GLY H H 1 10.009 0.005 . 1 . . . A 83 GLY H . 17918 1 909 . 1 1 80 80 GLY HA2 H 1 4.32 0.020 . 2 . . . A 83 GLY HA2 . 17918 1 910 . 1 1 80 80 GLY HA3 H 1 3.938 0.014 . 2 . . . A 83 GLY HA3 . 17918 1 911 . 1 1 80 80 GLY C C 13 175.628 0.001 . 1 . . . A 83 GLY C . 17918 1 912 . 1 1 80 80 GLY CA C 13 46.632 0.088 . 1 . . . A 83 GLY CA . 17918 1 913 . 1 1 80 80 GLY N N 15 117.069 0.032 . 1 . . . A 83 GLY N . 17918 1 914 . 1 1 81 81 GLU H H 1 7.812 0.005 . 1 . . . A 84 GLU H . 17918 1 915 . 1 1 81 81 GLU HA H 1 4.231 0.016 . 1 . . . A 84 GLU HA . 17918 1 916 . 1 1 81 81 GLU HB2 H 1 2.231 0.027 . 2 . . . A 84 GLU HB2 . 17918 1 917 . 1 1 81 81 GLU HB3 H 1 2.563 0.001 . 2 . . . A 84 GLU HB3 . 17918 1 918 . 1 1 81 81 GLU HG2 H 1 2.335 0.017 . 2 . . . A 84 GLU HG2 . 17918 1 919 . 1 1 81 81 GLU HG3 H 1 2.217 0.007 . 2 . . . A 84 GLU HG3 . 17918 1 920 . 1 1 81 81 GLU C C 13 178.456 0.001 . 1 . . . A 84 GLU C . 17918 1 921 . 1 1 81 81 GLU CA C 13 59.727 0.061 . 1 . . . A 84 GLU CA . 17918 1 922 . 1 1 81 81 GLU CB C 13 32.721 0.046 . 1 . . . A 84 GLU CB . 17918 1 923 . 1 1 81 81 GLU CG C 13 38.747 0.060 . 1 . . . A 84 GLU CG . 17918 1 924 . 1 1 81 81 GLU N N 15 120.322 0.062 . 1 . . . A 84 GLU N . 17918 1 925 . 1 1 82 82 MET H H 1 8.601 0.008 . 1 . . . A 85 MET H . 17918 1 926 . 1 1 82 82 MET HA H 1 4.569 0.021 . 1 . . . A 85 MET HA . 17918 1 927 . 1 1 82 82 MET HB2 H 1 1.711 0.022 . 2 . . . A 85 MET HB2 . 17918 1 928 . 1 1 82 82 MET HB3 H 1 1.442 0.013 . 2 . . . A 85 MET HB3 . 17918 1 929 . 1 1 82 82 MET HG2 H 1 2.253 0.016 . 2 . . . A 85 MET HG2 . 17918 1 930 . 1 1 82 82 MET HG3 H 1 2.505 0.001 . 2 . . . A 85 MET HG3 . 17918 1 931 . 1 1 82 82 MET HE1 H 1 1.135 0.013 . 1 . . . A 85 MET HE* . 17918 1 932 . 1 1 82 82 MET HE2 H 1 1.135 0.013 . 1 . . . A 85 MET HE* . 17918 1 933 . 1 1 82 82 MET HE3 H 1 1.135 0.013 . 1 . . . A 85 MET HE* . 17918 1 934 . 1 1 82 82 MET C C 13 176.991 0.001 . 1 . . . A 85 MET C . 17918 1 935 . 1 1 82 82 MET CA C 13 53.174 0.114 . 1 . . . A 85 MET CA . 17918 1 936 . 1 1 82 82 MET CB C 13 34.386 0.126 . 1 . . . A 85 MET CB . 17918 1 937 . 1 1 82 82 MET CG C 13 33.166 0.003 . 1 . . . A 85 MET CG . 17918 1 938 . 1 1 82 82 MET CE C 13 18.363 0.025 . 1 . . . A 85 MET CE . 17918 1 939 . 1 1 82 82 MET N N 15 117.156 0.031 . 1 . . . A 85 MET N . 17918 1 940 . 1 1 83 83 MET H H 1 8.413 0.008 . 1 . . . A 86 MET H . 17918 1 941 . 1 1 83 83 MET HA H 1 4.273 0.020 . 1 . . . A 86 MET HA . 17918 1 942 . 1 1 83 83 MET HB2 H 1 1.967 0.022 . 2 . . . A 86 MET HB2 . 17918 1 943 . 1 1 83 83 MET HB3 H 1 2.222 0.035 . 2 . . . A 86 MET HB3 . 17918 1 944 . 1 1 83 83 MET HG3 H 1 2.806 0.014 . 2 . . . A 86 MET HG3 . 17918 1 945 . 1 1 83 83 MET C C 13 178.979 0.001 . 1 . . . A 86 MET C . 17918 1 946 . 1 1 83 83 MET CA C 13 58.32 0.065 . 1 . . . A 86 MET CA . 17918 1 947 . 1 1 83 83 MET CB C 13 34.339 0.111 . 1 . . . A 86 MET CB . 17918 1 948 . 1 1 83 83 MET CG C 13 34.403 0.030 . 1 . . . A 86 MET CG . 17918 1 949 . 1 1 83 83 MET N N 15 119.413 0.038 . 1 . . . A 86 MET N . 17918 1 950 . 1 1 84 84 LYS H H 1 9.099 0.005 . 1 . . . A 87 LYS H . 17918 1 951 . 1 1 84 84 LYS HA H 1 4.74 0.023 . 1 . . . A 87 LYS HA . 17918 1 952 . 1 1 84 84 LYS HB3 H 1 1.986 0.016 . 2 . . . A 87 LYS HB3 . 17918 1 953 . 1 1 84 84 LYS HE2 H 1 2.974 0.020 . 2 . . . A 87 LYS HE2 . 17918 1 954 . 1 1 84 84 LYS HE3 H 1 3.253 0.011 . 2 . . . A 87 LYS HE3 . 17918 1 955 . 1 1 84 84 LYS C C 13 175.267 0.001 . 1 . . . A 87 LYS C . 17918 1 956 . 1 1 84 84 LYS CA C 13 62.461 0.001 . 1 . . . A 87 LYS CA . 17918 1 957 . 1 1 84 84 LYS CB C 13 31.435 0.023 . 1 . . . A 87 LYS CB . 17918 1 958 . 1 1 84 84 LYS CE C 13 41.807 0.073 . 1 . . . A 87 LYS CE . 17918 1 959 . 1 1 84 84 LYS N N 15 126.834 0.030 . 1 . . . A 87 LYS N . 17918 1 960 . 1 1 85 85 PRO HA H 1 4.465 0.015 . 1 . . . A 88 PRO HA . 17918 1 961 . 1 1 85 85 PRO HB2 H 1 2.481 0.014 . 2 . . . A 88 PRO HB2 . 17918 1 962 . 1 1 85 85 PRO HB3 H 1 1.648 0.016 . 2 . . . A 88 PRO HB3 . 17918 1 963 . 1 1 85 85 PRO HG3 H 1 2.197 0.012 . 2 . . . A 88 PRO HG3 . 17918 1 964 . 1 1 85 85 PRO HD2 H 1 3.629 0.013 . 2 . . . A 88 PRO HD2 . 17918 1 965 . 1 1 85 85 PRO HD3 H 1 3.9 0.012 . 2 . . . A 88 PRO HD3 . 17918 1 966 . 1 1 85 85 PRO C C 13 180.671 0.014 . 1 . . . A 88 PRO C . 17918 1 967 . 1 1 85 85 PRO CA C 13 66.743 0.059 . 1 . . . A 88 PRO CA . 17918 1 968 . 1 1 85 85 PRO CB C 13 32.256 0.059 . 1 . . . A 88 PRO CB . 17918 1 969 . 1 1 85 85 PRO CG C 13 30.006 0.059 . 1 . . . A 88 PRO CG . 17918 1 970 . 1 1 85 85 PRO CD C 13 51.037 0.087 . 1 . . . A 88 PRO CD . 17918 1 971 . 1 1 86 86 PHE H H 1 7.102 0.004 . 1 . . . A 89 PHE H . 17918 1 972 . 1 1 86 86 PHE HA H 1 3.647 0.014 . 1 . . . A 89 PHE HA . 17918 1 973 . 1 1 86 86 PHE HB2 H 1 2.366 0.020 . 2 . . . A 89 PHE HB2 . 17918 1 974 . 1 1 86 86 PHE HB3 H 1 3.465 0.016 . 2 . . . A 89 PHE HB3 . 17918 1 975 . 1 1 86 86 PHE HD1 H 1 7.238 0.006 . 3 . . . A 89 PHE HD* . 17918 1 976 . 1 1 86 86 PHE HD2 H 1 7.238 0.006 . 3 . . . A 89 PHE HD* . 17918 1 977 . 1 1 86 86 PHE HE1 H 1 7.329 0.001 . 3 . . . A 89 PHE HE* . 17918 1 978 . 1 1 86 86 PHE HE2 H 1 7.329 0.001 . 3 . . . A 89 PHE HE* . 17918 1 979 . 1 1 86 86 PHE HZ H 1 6.513 0.001 . 1 . . . A 89 PHE HZ . 17918 1 980 . 1 1 86 86 PHE C C 13 177.086 0.028 . 1 . . . A 89 PHE C . 17918 1 981 . 1 1 86 86 PHE CA C 13 61.484 0.054 . 1 . . . A 89 PHE CA . 17918 1 982 . 1 1 86 86 PHE CB C 13 41.51 0.041 . 1 . . . A 89 PHE CB . 17918 1 983 . 1 1 86 86 PHE N N 15 116.583 0.025 . 1 . . . A 89 PHE N . 17918 1 984 . 1 1 87 87 GLU H H 1 8.126 0.003 . 1 . . . A 90 GLU H . 17918 1 985 . 1 1 87 87 GLU HA H 1 3.724 0.016 . 1 . . . A 90 GLU HA . 17918 1 986 . 1 1 87 87 GLU HB2 H 1 1.486 0.012 . 2 . . . A 90 GLU HB2 . 17918 1 987 . 1 1 87 87 GLU HB3 H 1 2.114 0.016 . 2 . . . A 90 GLU HB3 . 17918 1 988 . 1 1 87 87 GLU HG2 H 1 2.295 0.022 . 2 . . . A 90 GLU HG2 . 17918 1 989 . 1 1 87 87 GLU HG3 H 1 1.884 0.007 . 2 . . . A 90 GLU HG3 . 17918 1 990 . 1 1 87 87 GLU C C 13 179.102 0.018 . 1 . . . A 90 GLU C . 17918 1 991 . 1 1 87 87 GLU CA C 13 61.857 0.094 . 1 . . . A 90 GLU CA . 17918 1 992 . 1 1 87 87 GLU CB C 13 30.784 0.072 . 1 . . . A 90 GLU CB . 17918 1 993 . 1 1 87 87 GLU CG C 13 37.898 0.053 . 1 . . . A 90 GLU CG . 17918 1 994 . 1 1 87 87 GLU N N 15 120.506 0.073 . 1 . . . A 90 GLU N . 17918 1 995 . 1 1 88 88 ASP H H 1 9.121 0.003 . 1 . . . A 91 ASP H . 17918 1 996 . 1 1 88 88 ASP HA H 1 4.235 0.013 . 1 . . . A 91 ASP HA . 17918 1 997 . 1 1 88 88 ASP HB3 H 1 2.572 0.013 . 2 . . . A 91 ASP HB3 . 17918 1 998 . 1 1 88 88 ASP C C 13 180.067 0.007 . 1 . . . A 91 ASP C . 17918 1 999 . 1 1 88 88 ASP CA C 13 58.304 0.095 . 1 . . . A 91 ASP CA . 17918 1 1000 . 1 1 88 88 ASP CB C 13 41.026 0.028 . 1 . . . A 91 ASP CB . 17918 1 1001 . 1 1 88 88 ASP N N 15 118.355 0.028 . 1 . . . A 91 ASP N . 17918 1 1002 . 1 1 89 89 ALA H H 1 7.154 0.006 . 1 . . . A 92 ALA H . 17918 1 1003 . 1 1 89 89 ALA HA H 1 4.072 0.013 . 1 . . . A 92 ALA HA . 17918 1 1004 . 1 1 89 89 ALA HB1 H 1 1.342 0.017 . 1 . . . A 92 ALA HB* . 17918 1 1005 . 1 1 89 89 ALA HB2 H 1 1.342 0.017 . 1 . . . A 92 ALA HB* . 17918 1 1006 . 1 1 89 89 ALA HB3 H 1 1.342 0.017 . 1 . . . A 92 ALA HB* . 17918 1 1007 . 1 1 89 89 ALA C C 13 181.131 0.001 . 1 . . . A 92 ALA C . 17918 1 1008 . 1 1 89 89 ALA CA C 13 55.845 0.068 . 1 . . . A 92 ALA CA . 17918 1 1009 . 1 1 89 89 ALA CB C 13 20.099 0.067 . 1 . . . A 92 ALA CB . 17918 1 1010 . 1 1 89 89 ALA N N 15 121.718 0.045 . 1 . . . A 92 ALA N . 17918 1 1011 . 1 1 90 90 VAL H H 1 7.797 0.011 . 1 . . . A 93 VAL H . 17918 1 1012 . 1 1 90 90 VAL HA H 1 3.415 0.015 . 1 . . . A 93 VAL HA . 17918 1 1013 . 1 1 90 90 VAL HB H 1 2.256 0.014 . 1 . . . A 93 VAL HB . 17918 1 1014 . 1 1 90 90 VAL HG11 H 1 0.885 0.022 . 2 . . . A 93 VAL HG1* . 17918 1 1015 . 1 1 90 90 VAL HG12 H 1 0.885 0.022 . 2 . . . A 93 VAL HG1* . 17918 1 1016 . 1 1 90 90 VAL HG13 H 1 0.885 0.022 . 2 . . . A 93 VAL HG1* . 17918 1 1017 . 1 1 90 90 VAL HG21 H 1 0.952 0.017 . 2 . . . A 93 VAL HG2* . 17918 1 1018 . 1 1 90 90 VAL HG22 H 1 0.952 0.017 . 2 . . . A 93 VAL HG2* . 17918 1 1019 . 1 1 90 90 VAL HG23 H 1 0.952 0.017 . 2 . . . A 93 VAL HG2* . 17918 1 1020 . 1 1 90 90 VAL C C 13 178.908 0.001 . 1 . . . A 93 VAL C . 17918 1 1021 . 1 1 90 90 VAL CA C 13 67.754 0.044 . 1 . . . A 93 VAL CA . 17918 1 1022 . 1 1 90 90 VAL CB C 13 32.349 0.068 . 1 . . . A 93 VAL CB . 17918 1 1023 . 1 1 90 90 VAL CG1 C 13 26.113 0.034 . 2 . . . A 93 VAL CG1 . 17918 1 1024 . 1 1 90 90 VAL CG2 C 13 24.238 0.026 . 2 . . . A 93 VAL CG2 . 17918 1 1025 . 1 1 90 90 VAL N N 15 117.315 0.041 . 1 . . . A 93 VAL N . 17918 1 1026 . 1 1 91 91 ARG H H 1 8.154 0.006 . 1 . . . A 94 ARG H . 17918 1 1027 . 1 1 91 91 ARG HA H 1 3.854 0.014 . 1 . . . A 94 ARG HA . 17918 1 1028 . 1 1 91 91 ARG HB2 H 1 1.872 0.027 . 2 . . . A 94 ARG HB2 . 17918 1 1029 . 1 1 91 91 ARG HB3 H 1 1.651 0.016 . 2 . . . A 94 ARG HB3 . 17918 1 1030 . 1 1 91 91 ARG HG2 H 1 1.908 0.001 . 2 . . . A 94 ARG HG2 . 17918 1 1031 . 1 1 91 91 ARG HG3 H 1 1.849 0.019 . 2 . . . A 94 ARG HG3 . 17918 1 1032 . 1 1 91 91 ARG HD3 H 1 3.268 0.018 . 2 . . . A 94 ARG HD3 . 17918 1 1033 . 1 1 91 91 ARG HE H 1 7.556 0.012 . 1 . . . A 94 ARG HE . 17918 1 1034 . 1 1 91 91 ARG HH12 H 1 6.84 0.001 . 2 . . . A 94 ARG HH12 . 17918 1 1035 . 1 1 91 91 ARG C C 13 177.858 0.001 . 1 . . . A 94 ARG C . 17918 1 1036 . 1 1 91 91 ARG CA C 13 60.466 0.065 . 1 . . . A 94 ARG CA . 17918 1 1037 . 1 1 91 91 ARG CB C 13 31.088 0.180 . 1 . . . A 94 ARG CB . 17918 1 1038 . 1 1 91 91 ARG CG C 13 27.689 0.025 . 1 . . . A 94 ARG CG . 17918 1 1039 . 1 1 91 91 ARG CD C 13 44.206 0.104 . 1 . . . A 94 ARG CD . 17918 1 1040 . 1 1 91 91 ARG N N 15 116.826 0.045 . 1 . . . A 94 ARG N . 17918 1 1041 . 1 1 91 91 ARG NE N 15 85.241 0.025 . 1 . . . A 94 ARG NE . 17918 1 1042 . 1 1 92 92 ALA H H 1 7.067 0.005 . 1 . . . A 95 ALA H . 17918 1 1043 . 1 1 92 92 ALA HA H 1 4.293 0.026 . 1 . . . A 95 ALA HA . 17918 1 1044 . 1 1 92 92 ALA HB1 H 1 1.449 0.015 . 1 . . . A 95 ALA HB* . 17918 1 1045 . 1 1 92 92 ALA HB2 H 1 1.449 0.015 . 1 . . . A 95 ALA HB* . 17918 1 1046 . 1 1 92 92 ALA HB3 H 1 1.449 0.015 . 1 . . . A 95 ALA HB* . 17918 1 1047 . 1 1 92 92 ALA C C 13 178.452 0.001 . 1 . . . A 95 ALA C . 17918 1 1048 . 1 1 92 92 ALA CA C 13 53.477 0.046 . 1 . . . A 95 ALA CA . 17918 1 1049 . 1 1 92 92 ALA CB C 13 20.147 0.130 . 1 . . . A 95 ALA CB . 17918 1 1050 . 1 1 92 92 ALA N N 15 118.849 0.046 . 1 . . . A 95 ALA N . 17918 1 1051 . 1 1 93 93 LEU H H 1 7.396 0.003 . 1 . . . A 96 LEU H . 17918 1 1052 . 1 1 93 93 LEU HA H 1 4.514 0.014 . 1 . . . A 96 LEU HA . 17918 1 1053 . 1 1 93 93 LEU HB2 H 1 1.89 0.016 . 2 . . . A 96 LEU HB2 . 17918 1 1054 . 1 1 93 93 LEU HB3 H 1 1.618 0.016 . 2 . . . A 96 LEU HB3 . 17918 1 1055 . 1 1 93 93 LEU HG H 1 2.078 0.014 . 1 . . . A 96 LEU HG . 17918 1 1056 . 1 1 93 93 LEU HD11 H 1 0.724 0.016 . 2 . . . A 96 LEU HD1* . 17918 1 1057 . 1 1 93 93 LEU HD12 H 1 0.724 0.016 . 2 . . . A 96 LEU HD1* . 17918 1 1058 . 1 1 93 93 LEU HD13 H 1 0.724 0.016 . 2 . . . A 96 LEU HD1* . 17918 1 1059 . 1 1 93 93 LEU HD21 H 1 0.779 0.019 . 2 . . . A 96 LEU HD2* . 17918 1 1060 . 1 1 93 93 LEU HD22 H 1 0.779 0.019 . 2 . . . A 96 LEU HD2* . 17918 1 1061 . 1 1 93 93 LEU HD23 H 1 0.779 0.019 . 2 . . . A 96 LEU HD2* . 17918 1 1062 . 1 1 93 93 LEU C C 13 179.045 0.001 . 1 . . . A 96 LEU C . 17918 1 1063 . 1 1 93 93 LEU CA C 13 55.163 0.076 . 1 . . . A 96 LEU CA . 17918 1 1064 . 1 1 93 93 LEU CB C 13 44.932 0.068 . 1 . . . A 96 LEU CB . 17918 1 1065 . 1 1 93 93 LEU CG C 13 26.531 0.045 . 1 . . . A 96 LEU CG . 17918 1 1066 . 1 1 93 93 LEU CD1 C 13 23.865 0.049 . 2 . . . A 96 LEU CD1 . 17918 1 1067 . 1 1 93 93 LEU CD2 C 13 27.643 0.097 . 2 . . . A 96 LEU CD2 . 17918 1 1068 . 1 1 93 93 LEU N N 15 120.871 0.033 . 1 . . . A 96 LEU N . 17918 1 1069 . 1 1 94 94 LYS H H 1 8.274 0.004 . 1 . . . A 97 LYS H . 17918 1 1070 . 1 1 94 94 LYS HA H 1 4.408 0.023 . 1 . . . A 97 LYS HA . 17918 1 1071 . 1 1 94 94 LYS HB2 H 1 1.741 0.017 . 2 . . . A 97 LYS HB2 . 17918 1 1072 . 1 1 94 94 LYS HB3 H 1 1.514 0.020 . 2 . . . A 97 LYS HB3 . 17918 1 1073 . 1 1 94 94 LYS HG2 H 1 1.445 0.017 . 2 . . . A 97 LYS HG2 . 17918 1 1074 . 1 1 94 94 LYS HG3 H 1 0.895 0.005 . 2 . . . A 97 LYS HG3 . 17918 1 1075 . 1 1 94 94 LYS HD2 H 1 1.941 0.010 . 2 . . . A 97 LYS HD2 . 17918 1 1076 . 1 1 94 94 LYS HD3 H 1 1.725 0.017 . 2 . . . A 97 LYS HD3 . 17918 1 1077 . 1 1 94 94 LYS HE3 H 1 3.043 0.019 . 2 . . . A 97 LYS HE3 . 17918 1 1078 . 1 1 94 94 LYS C C 13 178.629 0.001 . 1 . . . A 97 LYS C . 17918 1 1079 . 1 1 94 94 LYS CA C 13 56.294 0.083 . 1 . . . A 97 LYS CA . 17918 1 1080 . 1 1 94 94 LYS CB C 13 33.395 0.066 . 1 . . . A 97 LYS CB . 17918 1 1081 . 1 1 94 94 LYS CG C 13 25.79 0.083 . 1 . . . A 97 LYS CG . 17918 1 1082 . 1 1 94 94 LYS CD C 13 29.885 0.068 . 1 . . . A 97 LYS CD . 17918 1 1083 . 1 1 94 94 LYS CE C 13 42.694 0.153 . 1 . . . A 97 LYS CE . 17918 1 1084 . 1 1 94 94 LYS N N 15 121.289 0.043 . 1 . . . A 97 LYS N . 17918 1 1085 . 1 1 95 95 ILE H H 1 8.396 0.005 . 1 . . . A 98 ILE H . 17918 1 1086 . 1 1 95 95 ILE HA H 1 3.065 0.014 . 1 . . . A 98 ILE HA . 17918 1 1087 . 1 1 95 95 ILE HB H 1 1.635 0.012 . 1 . . . A 98 ILE HB . 17918 1 1088 . 1 1 95 95 ILE HG12 H 1 1.506 0.013 . 2 . . . A 98 ILE HG12 . 17918 1 1089 . 1 1 95 95 ILE HG13 H 1 0.736 0.023 . 2 . . . A 98 ILE HG13 . 17918 1 1090 . 1 1 95 95 ILE HG21 H 1 0.776 0.014 . 1 . . . A 98 ILE HG2* . 17918 1 1091 . 1 1 95 95 ILE HG22 H 1 0.776 0.014 . 1 . . . A 98 ILE HG2* . 17918 1 1092 . 1 1 95 95 ILE HG23 H 1 0.776 0.014 . 1 . . . A 98 ILE HG2* . 17918 1 1093 . 1 1 95 95 ILE HD11 H 1 0.899 0.016 . 1 . . . A 98 ILE HD1* . 17918 1 1094 . 1 1 95 95 ILE HD12 H 1 0.899 0.016 . 1 . . . A 98 ILE HD1* . 17918 1 1095 . 1 1 95 95 ILE HD13 H 1 0.899 0.016 . 1 . . . A 98 ILE HD1* . 17918 1 1096 . 1 1 95 95 ILE C C 13 178.406 0.001 . 1 . . . A 98 ILE C . 17918 1 1097 . 1 1 95 95 ILE CA C 13 66.294 0.069 . 1 . . . A 98 ILE CA . 17918 1 1098 . 1 1 95 95 ILE CB C 13 38.162 0.077 . 1 . . . A 98 ILE CB . 17918 1 1099 . 1 1 95 95 ILE CG1 C 13 30.675 0.062 . 1 . . . A 98 ILE CG1 . 17918 1 1100 . 1 1 95 95 ILE CG2 C 13 18.793 0.048 . 1 . . . A 98 ILE CG2 . 17918 1 1101 . 1 1 95 95 ILE CD1 C 13 14.381 0.060 . 1 . . . A 98 ILE CD1 . 17918 1 1102 . 1 1 95 95 ILE N N 15 122.343 0.036 . 1 . . . A 98 ILE N . 17918 1 1103 . 1 1 96 96 GLY H H 1 8.988 0.007 . 1 . . . A 99 GLY H . 17918 1 1104 . 1 1 96 96 GLY HA2 H 1 4.436 0.011 . 2 . . . A 99 GLY HA2 . 17918 1 1105 . 1 1 96 96 GLY HA3 H 1 3.489 0.013 . 2 . . . A 99 GLY HA3 . 17918 1 1106 . 1 1 96 96 GLY C C 13 174.605 0.001 . 1 . . . A 99 GLY C . 17918 1 1107 . 1 1 96 96 GLY CA C 13 46.173 0.065 . 1 . . . A 99 GLY CA . 17918 1 1108 . 1 1 96 96 GLY N N 15 118.074 0.045 . 1 . . . A 99 GLY N . 17918 1 1109 . 1 1 97 97 ASP H H 1 7.978 0.004 . 1 . . . A 100 ASP H . 17918 1 1110 . 1 1 97 97 ASP HA H 1 4.795 0.019 . 1 . . . A 100 ASP HA . 17918 1 1111 . 1 1 97 97 ASP HB2 H 1 2.973 0.021 . 2 . . . A 100 ASP HB2 . 17918 1 1112 . 1 1 97 97 ASP HB3 H 1 2.729 0.010 . 2 . . . A 100 ASP HB3 . 17918 1 1113 . 1 1 97 97 ASP C C 13 175.344 0.001 . 1 . . . A 100 ASP C . 17918 1 1114 . 1 1 97 97 ASP CA C 13 55.037 0.066 . 1 . . . A 100 ASP CA . 17918 1 1115 . 1 1 97 97 ASP CB C 13 43.953 0.063 . 1 . . . A 100 ASP CB . 17918 1 1116 . 1 1 97 97 ASP N N 15 121.984 0.136 . 1 . . . A 100 ASP N . 17918 1 1117 . 1 1 98 98 ILE H H 1 8.048 0.002 . 1 . . . A 101 ILE H . 17918 1 1118 . 1 1 98 98 ILE HA H 1 5.16 0.018 . 1 . . . A 101 ILE HA . 17918 1 1119 . 1 1 98 98 ILE HB H 1 1.662 0.016 . 1 . . . A 101 ILE HB . 17918 1 1120 . 1 1 98 98 ILE HG12 H 1 1.657 0.013 . 2 . . . A 101 ILE HG12 . 17918 1 1121 . 1 1 98 98 ILE HG13 H 1 0.835 0.017 . 2 . . . A 101 ILE HG13 . 17918 1 1122 . 1 1 98 98 ILE HG21 H 1 1.169 0.015 . 1 . . . A 101 ILE HG2* . 17918 1 1123 . 1 1 98 98 ILE HG22 H 1 1.169 0.015 . 1 . . . A 101 ILE HG2* . 17918 1 1124 . 1 1 98 98 ILE HG23 H 1 1.169 0.015 . 1 . . . A 101 ILE HG2* . 17918 1 1125 . 1 1 98 98 ILE HD11 H 1 1.065 0.014 . 1 . . . A 101 ILE HD1* . 17918 1 1126 . 1 1 98 98 ILE HD12 H 1 1.065 0.014 . 1 . . . A 101 ILE HD1* . 17918 1 1127 . 1 1 98 98 ILE HD13 H 1 1.065 0.014 . 1 . . . A 101 ILE HD1* . 17918 1 1128 . 1 1 98 98 ILE C C 13 178.147 0.001 . 1 . . . A 101 ILE C . 17918 1 1129 . 1 1 98 98 ILE CA C 13 60.336 0.084 . 1 . . . A 101 ILE CA . 17918 1 1130 . 1 1 98 98 ILE CB C 13 41.293 0.062 . 1 . . . A 101 ILE CB . 17918 1 1131 . 1 1 98 98 ILE CG1 C 13 29.414 0.043 . 1 . . . A 101 ILE CG1 . 17918 1 1132 . 1 1 98 98 ILE CG2 C 13 18.937 0.056 . 1 . . . A 101 ILE CG2 . 17918 1 1133 . 1 1 98 98 ILE CD1 C 13 15.295 0.030 . 1 . . . A 101 ILE CD1 . 17918 1 1134 . 1 1 98 98 ILE N N 15 117.483 0.026 . 1 . . . A 101 ILE N . 17918 1 1135 . 1 1 99 99 SER H H 1 9.722 0.003 . 1 . . . A 102 SER H . 17918 1 1136 . 1 1 99 99 SER HA H 1 4.526 0.013 . 1 . . . A 102 SER HA . 17918 1 1137 . 1 1 99 99 SER HB2 H 1 4.326 0.012 . 2 . . . A 102 SER HB2 . 17918 1 1138 . 1 1 99 99 SER HB3 H 1 3.637 0.001 . 2 . . . A 102 SER HB3 . 17918 1 1139 . 1 1 99 99 SER HG H 1 5.938 0.003 . 1 . . . A 102 SER HG . 17918 1 1140 . 1 1 99 99 SER C C 13 172.735 0.001 . 1 . . . A 102 SER C . 17918 1 1141 . 1 1 99 99 SER CA C 13 59.441 0.087 . 1 . . . A 102 SER CA . 17918 1 1142 . 1 1 99 99 SER CB C 13 64.572 0.070 . 1 . . . A 102 SER CB . 17918 1 1143 . 1 1 99 99 SER N N 15 126.778 0.048 . 1 . . . A 102 SER N . 17918 1 1144 . 1 1 100 100 PRO HA H 1 4.819 0.012 . 1 . . . A 103 PRO HA . 17918 1 1145 . 1 1 100 100 PRO HB2 H 1 2.444 0.017 . 2 . . . A 103 PRO HB2 . 17918 1 1146 . 1 1 100 100 PRO HB3 H 1 2.014 0.013 . 2 . . . A 103 PRO HB3 . 17918 1 1147 . 1 1 100 100 PRO HG2 H 1 2.016 0.016 . 2 . . . A 103 PRO HG2 . 17918 1 1148 . 1 1 100 100 PRO HG3 H 1 1.856 0.013 . 2 . . . A 103 PRO HG3 . 17918 1 1149 . 1 1 100 100 PRO HD2 H 1 3.615 0.018 . 2 . . . A 103 PRO HD2 . 17918 1 1150 . 1 1 100 100 PRO HD3 H 1 3.742 0.017 . 2 . . . A 103 PRO HD3 . 17918 1 1151 . 1 1 100 100 PRO C C 13 176.647 0.001 . 1 . . . A 103 PRO C . 17918 1 1152 . 1 1 100 100 PRO CA C 13 63.128 0.097 . 1 . . . A 103 PRO CA . 17918 1 1153 . 1 1 100 100 PRO CB C 13 33.439 0.054 . 1 . . . A 103 PRO CB . 17918 1 1154 . 1 1 100 100 PRO CG C 13 28.377 0.072 . 1 . . . A 103 PRO CG . 17918 1 1155 . 1 1 100 100 PRO CD C 13 50.965 0.094 . 1 . . . A 103 PRO CD . 17918 1 1156 . 1 1 101 101 ILE H H 1 8.199 0.007 . 1 . . . A 104 ILE H . 17918 1 1157 . 1 1 101 101 ILE HA H 1 4.307 0.016 . 1 . . . A 104 ILE HA . 17918 1 1158 . 1 1 101 101 ILE HB H 1 1.681 0.021 . 1 . . . A 104 ILE HB . 17918 1 1159 . 1 1 101 101 ILE HG12 H 1 1.803 0.016 . 2 . . . A 104 ILE HG12 . 17918 1 1160 . 1 1 101 101 ILE HG13 H 1 0.969 0.001 . 2 . . . A 104 ILE HG13 . 17918 1 1161 . 1 1 101 101 ILE HG21 H 1 0.83 0.016 . 1 . . . A 104 ILE HG2* . 17918 1 1162 . 1 1 101 101 ILE HG22 H 1 0.83 0.016 . 1 . . . A 104 ILE HG2* . 17918 1 1163 . 1 1 101 101 ILE HG23 H 1 0.83 0.016 . 1 . . . A 104 ILE HG2* . 17918 1 1164 . 1 1 101 101 ILE HD11 H 1 0.892 0.013 . 1 . . . A 104 ILE HD1* . 17918 1 1165 . 1 1 101 101 ILE HD12 H 1 0.892 0.013 . 1 . . . A 104 ILE HD1* . 17918 1 1166 . 1 1 101 101 ILE HD13 H 1 0.892 0.013 . 1 . . . A 104 ILE HD1* . 17918 1 1167 . 1 1 101 101 ILE C C 13 178.021 0.001 . 1 . . . A 104 ILE C . 17918 1 1168 . 1 1 101 101 ILE CA C 13 65.141 0.062 . 1 . . . A 104 ILE CA . 17918 1 1169 . 1 1 101 101 ILE CB C 13 38.97 0.101 . 1 . . . A 104 ILE CB . 17918 1 1170 . 1 1 101 101 ILE CG1 C 13 29.981 0.055 . 1 . . . A 104 ILE CG1 . 17918 1 1171 . 1 1 101 101 ILE CG2 C 13 18.923 0.050 . 1 . . . A 104 ILE CG2 . 17918 1 1172 . 1 1 101 101 ILE CD1 C 13 15.736 0.045 . 1 . . . A 104 ILE CD1 . 17918 1 1173 . 1 1 101 101 ILE N N 15 120.048 0.040 . 1 . . . A 104 ILE N . 17918 1 1174 . 1 1 102 102 VAL H H 1 9.285 0.005 . 1 . . . A 105 VAL H . 17918 1 1175 . 1 1 102 102 VAL HA H 1 4.357 0.013 . 1 . . . A 105 VAL HA . 17918 1 1176 . 1 1 102 102 VAL HB H 1 1.735 0.018 . 1 . . . A 105 VAL HB . 17918 1 1177 . 1 1 102 102 VAL HG11 H 1 0.713 0.015 . 2 . . . A 105 VAL HG1* . 17918 1 1178 . 1 1 102 102 VAL HG12 H 1 0.713 0.015 . 2 . . . A 105 VAL HG1* . 17918 1 1179 . 1 1 102 102 VAL HG13 H 1 0.713 0.015 . 2 . . . A 105 VAL HG1* . 17918 1 1180 . 1 1 102 102 VAL HG21 H 1 0.881 0.020 . 2 . . . A 105 VAL HG2* . 17918 1 1181 . 1 1 102 102 VAL HG22 H 1 0.881 0.020 . 2 . . . A 105 VAL HG2* . 17918 1 1182 . 1 1 102 102 VAL HG23 H 1 0.881 0.020 . 2 . . . A 105 VAL HG2* . 17918 1 1183 . 1 1 102 102 VAL C C 13 175.118 0.001 . 1 . . . A 105 VAL C . 17918 1 1184 . 1 1 102 102 VAL CA C 13 61.807 0.074 . 1 . . . A 105 VAL CA . 17918 1 1185 . 1 1 102 102 VAL CB C 13 37.383 0.055 . 1 . . . A 105 VAL CB . 17918 1 1186 . 1 1 102 102 VAL CG1 C 13 21.635 0.027 . 2 . . . A 105 VAL CG1 . 17918 1 1187 . 1 1 102 102 VAL CG2 C 13 21.843 0.065 . 2 . . . A 105 VAL CG2 . 17918 1 1188 . 1 1 102 102 VAL N N 15 130.676 0.041 . 1 . . . A 105 VAL N . 17918 1 1189 . 1 1 103 103 GLN H H 1 8.9 0.002 . 1 . . . A 106 GLN H . 17918 1 1190 . 1 1 103 103 GLN HA H 1 5.449 0.014 . 1 . . . A 106 GLN HA . 17918 1 1191 . 1 1 103 103 GLN HB2 H 1 2.115 0.015 . 2 . . . A 106 GLN HB2 . 17918 1 1192 . 1 1 103 103 GLN HB3 H 1 1.938 0.012 . 2 . . . A 106 GLN HB3 . 17918 1 1193 . 1 1 103 103 GLN HG2 H 1 2.275 0.001 . 2 . . . A 106 GLN HG2 . 17918 1 1194 . 1 1 103 103 GLN HG3 H 1 2.528 0.013 . 2 . . . A 106 GLN HG3 . 17918 1 1195 . 1 1 103 103 GLN HE21 H 1 6.925 0.001 . 2 . . . A 106 GLN HE21 . 17918 1 1196 . 1 1 103 103 GLN HE22 H 1 8.087 0.001 . 2 . . . A 106 GLN HE22 . 17918 1 1197 . 1 1 103 103 GLN C C 13 176.704 0.001 . 1 . . . A 106 GLN C . 17918 1 1198 . 1 1 103 103 GLN CA C 13 56.06 0.083 . 1 . . . A 106 GLN CA . 17918 1 1199 . 1 1 103 103 GLN CB C 13 31.032 0.062 . 1 . . . A 106 GLN CB . 17918 1 1200 . 1 1 103 103 GLN CG C 13 34.58 0.082 . 1 . . . A 106 GLN CG . 17918 1 1201 . 1 1 103 103 GLN N N 15 128.464 0.028 . 1 . . . A 106 GLN N . 17918 1 1202 . 1 1 103 103 GLN NE2 N 15 110.417 0.024 . 1 . . . A 106 GLN NE2 . 17918 1 1203 . 1 1 104 104 THR H H 1 9.275 0.004 . 1 . . . A 107 THR H . 17918 1 1204 . 1 1 104 104 THR HA H 1 4.978 0.017 . 1 . . . A 107 THR HA . 17918 1 1205 . 1 1 104 104 THR HB H 1 4.943 0.010 . 1 . . . A 107 THR HB . 17918 1 1206 . 1 1 104 104 THR HG1 H 1 6.208 0.001 . 1 . . . A 107 THR HG1 . 17918 1 1207 . 1 1 104 104 THR HG21 H 1 1.191 0.017 . 1 . . . A 107 THR HG2* . 17918 1 1208 . 1 1 104 104 THR HG22 H 1 1.191 0.017 . 1 . . . A 107 THR HG2* . 17918 1 1209 . 1 1 104 104 THR HG23 H 1 1.191 0.017 . 1 . . . A 107 THR HG2* . 17918 1 1210 . 1 1 104 104 THR C C 13 177.189 0.001 . 1 . . . A 107 THR C . 17918 1 1211 . 1 1 104 104 THR CA C 13 61.836 0.071 . 1 . . . A 107 THR CA . 17918 1 1212 . 1 1 104 104 THR CB C 13 73.663 0.071 . 1 . . . A 107 THR CB . 17918 1 1213 . 1 1 104 104 THR CG2 C 13 21.896 0.097 . 1 . . . A 107 THR CG2 . 17918 1 1214 . 1 1 104 104 THR N N 15 116.68 0.042 . 1 . . . A 107 THR N . 17918 1 1215 . 1 1 105 105 ASP H H 1 8.945 0.003 . 1 . . . A 108 ASP H . 17918 1 1216 . 1 1 105 105 ASP HA H 1 4.578 0.017 . 1 . . . A 108 ASP HA . 17918 1 1217 . 1 1 105 105 ASP HB2 H 1 2.771 0.019 . 2 . . . A 108 ASP HB2 . 17918 1 1218 . 1 1 105 105 ASP HB3 H 1 2.721 0.016 . 2 . . . A 108 ASP HB3 . 17918 1 1219 . 1 1 105 105 ASP C C 13 179.034 0.001 . 1 . . . A 108 ASP C . 17918 1 1220 . 1 1 105 105 ASP CA C 13 57.955 0.062 . 1 . . . A 108 ASP CA . 17918 1 1221 . 1 1 105 105 ASP CB C 13 42.016 0.065 . 1 . . . A 108 ASP CB . 17918 1 1222 . 1 1 105 105 ASP N N 15 119.651 0.033 . 1 . . . A 108 ASP N . 17918 1 1223 . 1 1 106 106 SER H H 1 8.968 0.003 . 1 . . . A 109 SER H . 17918 1 1224 . 1 1 106 106 SER HA H 1 4.642 0.015 . 1 . . . A 109 SER HA . 17918 1 1225 . 1 1 106 106 SER HB2 H 1 3.908 0.014 . 2 . . . A 109 SER HB2 . 17918 1 1226 . 1 1 106 106 SER HB3 H 1 3.965 0.014 . 2 . . . A 109 SER HB3 . 17918 1 1227 . 1 1 106 106 SER HG H 1 4.766 0.010 . 1 . . . A 109 SER HG . 17918 1 1228 . 1 1 106 106 SER C C 13 177.224 0.001 . 1 . . . A 109 SER C . 17918 1 1229 . 1 1 106 106 SER CA C 13 62.788 0.080 . 1 . . . A 109 SER CA . 17918 1 1230 . 1 1 106 106 SER CB C 13 64.767 0.030 . 1 . . . A 109 SER CB . 17918 1 1231 . 1 1 106 106 SER N N 15 114.257 0.034 . 1 . . . A 109 SER N . 17918 1 1232 . 1 1 107 107 GLY H H 1 7.829 0.007 . 1 . . . A 110 GLY H . 17918 1 1233 . 1 1 107 107 GLY HA2 H 1 4.2 0.012 . 2 . . . A 110 GLY HA2 . 17918 1 1234 . 1 1 107 107 GLY HA3 H 1 3.984 0.020 . 2 . . . A 110 GLY HA3 . 17918 1 1235 . 1 1 107 107 GLY C C 13 169.468 0.001 . 1 . . . A 110 GLY C . 17918 1 1236 . 1 1 107 107 GLY CA C 13 46.698 0.088 . 1 . . . A 110 GLY CA . 17918 1 1237 . 1 1 107 107 GLY N N 15 111.288 0.059 . 1 . . . A 110 GLY N . 17918 1 1238 . 1 1 108 108 LEU H H 1 8.143 0.007 . 1 . . . A 111 LEU H . 17918 1 1239 . 1 1 108 108 LEU HA H 1 5.371 0.012 . 1 . . . A 111 LEU HA . 17918 1 1240 . 1 1 108 108 LEU HB2 H 1 1.613 0.020 . 2 . . . A 111 LEU HB2 . 17918 1 1241 . 1 1 108 108 LEU HB3 H 1 1.104 0.014 . 2 . . . A 111 LEU HB3 . 17918 1 1242 . 1 1 108 108 LEU HG H 1 1.416 0.016 . 1 . . . A 111 LEU HG . 17918 1 1243 . 1 1 108 108 LEU HD11 H 1 0.198 0.023 . 2 . . . A 111 LEU HD1* . 17918 1 1244 . 1 1 108 108 LEU HD12 H 1 0.198 0.023 . 2 . . . A 111 LEU HD1* . 17918 1 1245 . 1 1 108 108 LEU HD13 H 1 0.198 0.023 . 2 . . . A 111 LEU HD1* . 17918 1 1246 . 1 1 108 108 LEU HD21 H 1 0.749 0.014 . 2 . . . A 111 LEU HD2* . 17918 1 1247 . 1 1 108 108 LEU HD22 H 1 0.749 0.014 . 2 . . . A 111 LEU HD2* . 17918 1 1248 . 1 1 108 108 LEU HD23 H 1 0.749 0.014 . 2 . . . A 111 LEU HD2* . 17918 1 1249 . 1 1 108 108 LEU C C 13 175.948 0.001 . 1 . . . A 111 LEU C . 17918 1 1250 . 1 1 108 108 LEU CA C 13 54.276 0.074 . 1 . . . A 111 LEU CA . 17918 1 1251 . 1 1 108 108 LEU CB C 13 45.775 0.044 . 1 . . . A 111 LEU CB . 17918 1 1252 . 1 1 108 108 LEU CG C 13 27.856 0.066 . 1 . . . A 111 LEU CG . 17918 1 1253 . 1 1 108 108 LEU CD1 C 13 27.311 0.100 . 2 . . . A 111 LEU CD1 . 17918 1 1254 . 1 1 108 108 LEU CD2 C 13 24.02 0.085 . 2 . . . A 111 LEU CD2 . 17918 1 1255 . 1 1 108 108 LEU N N 15 122.506 0.041 . 1 . . . A 111 LEU N . 17918 1 1256 . 1 1 109 109 HIS H H 1 9.764 0.005 . 1 . . . A 112 HIS H . 17918 1 1257 . 1 1 109 109 HIS HA H 1 6.095 0.018 . 1 . . . A 112 HIS HA . 17918 1 1258 . 1 1 109 109 HIS HB2 H 1 2.929 0.014 . 2 . . . A 112 HIS HB2 . 17918 1 1259 . 1 1 109 109 HIS HB3 H 1 3.049 0.015 . 2 . . . A 112 HIS HB3 . 17918 1 1260 . 1 1 109 109 HIS HD1 H 1 7.153 0.001 . 1 . . . A 112 HIS HD1 . 17918 1 1261 . 1 1 109 109 HIS HD2 H 1 7.257 0.016 . 1 . . . A 112 HIS HD2 . 17918 1 1262 . 1 1 109 109 HIS HE1 H 1 7.269 0.004 . 1 . . . A 112 HIS HE1 . 17918 1 1263 . 1 1 109 109 HIS HE2 H 1 8.206 0.001 . 1 . . . A 112 HIS HE2 . 17918 1 1264 . 1 1 109 109 HIS C C 13 179.186 0.001 . 1 . . . A 112 HIS C . 17918 1 1265 . 1 1 109 109 HIS CA C 13 55.38 0.058 . 1 . . . A 112 HIS CA . 17918 1 1266 . 1 1 109 109 HIS CB C 13 33.838 0.069 . 1 . . . A 112 HIS CB . 17918 1 1267 . 1 1 109 109 HIS N N 15 119.518 0.048 . 1 . . . A 112 HIS N . 17918 1 1268 . 1 1 110 110 ILE H H 1 8.117 0.004 . 1 . . . A 113 ILE H . 17918 1 1269 . 1 1 110 110 ILE HA H 1 4.459 0.018 . 1 . . . A 113 ILE HA . 17918 1 1270 . 1 1 110 110 ILE HB H 1 1.883 0.014 . 1 . . . A 113 ILE HB . 17918 1 1271 . 1 1 110 110 ILE HG12 H 1 1.165 0.014 . 2 . . . A 113 ILE HG12 . 17918 1 1272 . 1 1 110 110 ILE HG13 H 1 1.716 0.021 . 2 . . . A 113 ILE HG13 . 17918 1 1273 . 1 1 110 110 ILE HG21 H 1 0.986 0.019 . 1 . . . A 113 ILE HG2* . 17918 1 1274 . 1 1 110 110 ILE HG22 H 1 0.986 0.019 . 1 . . . A 113 ILE HG2* . 17918 1 1275 . 1 1 110 110 ILE HG23 H 1 0.986 0.019 . 1 . . . A 113 ILE HG2* . 17918 1 1276 . 1 1 110 110 ILE HD11 H 1 0.825 0.015 . 1 . . . A 113 ILE HD1* . 17918 1 1277 . 1 1 110 110 ILE HD12 H 1 0.825 0.015 . 1 . . . A 113 ILE HD1* . 17918 1 1278 . 1 1 110 110 ILE HD13 H 1 0.825 0.015 . 1 . . . A 113 ILE HD1* . 17918 1 1279 . 1 1 110 110 ILE C C 13 176.666 0.001 . 1 . . . A 113 ILE C . 17918 1 1280 . 1 1 110 110 ILE CA C 13 64.437 0.087 . 1 . . . A 113 ILE CA . 17918 1 1281 . 1 1 110 110 ILE CB C 13 42.736 0.043 . 1 . . . A 113 ILE CB . 17918 1 1282 . 1 1 110 110 ILE CG1 C 13 27.382 0.048 . 1 . . . A 113 ILE CG1 . 17918 1 1283 . 1 1 110 110 ILE CG2 C 13 19.657 0.047 . 1 . . . A 113 ILE CG2 . 17918 1 1284 . 1 1 110 110 ILE CD1 C 13 14.2 0.046 . 1 . . . A 113 ILE CD1 . 17918 1 1285 . 1 1 110 110 ILE N N 15 113.128 0.045 . 1 . . . A 113 ILE N . 17918 1 1286 . 1 1 111 111 ILE H H 1 8.604 0.006 . 1 . . . A 114 ILE H . 17918 1 1287 . 1 1 111 111 ILE HA H 1 4.77 0.016 . 1 . . . A 114 ILE HA . 17918 1 1288 . 1 1 111 111 ILE HB H 1 1.253 0.013 . 1 . . . A 114 ILE HB . 17918 1 1289 . 1 1 111 111 ILE HG12 H 1 0.551 0.011 . 2 . . . A 114 ILE HG12 . 17918 1 1290 . 1 1 111 111 ILE HG13 H 1 1.24 0.012 . 2 . . . A 114 ILE HG13 . 17918 1 1291 . 1 1 111 111 ILE HG21 H 1 0.509 0.014 . 1 . . . A 114 ILE HG2* . 17918 1 1292 . 1 1 111 111 ILE HG22 H 1 0.509 0.014 . 1 . . . A 114 ILE HG2* . 17918 1 1293 . 1 1 111 111 ILE HG23 H 1 0.509 0.014 . 1 . . . A 114 ILE HG2* . 17918 1 1294 . 1 1 111 111 ILE HD11 H 1 -0.069 0.016 . 1 . . . A 114 ILE HD1* . 17918 1 1295 . 1 1 111 111 ILE HD12 H 1 -0.069 0.016 . 1 . . . A 114 ILE HD1* . 17918 1 1296 . 1 1 111 111 ILE HD13 H 1 -0.069 0.016 . 1 . . . A 114 ILE HD1* . 17918 1 1297 . 1 1 111 111 ILE C C 13 173.792 0.001 . 1 . . . A 114 ILE C . 17918 1 1298 . 1 1 111 111 ILE CA C 13 61.984 0.073 . 1 . . . A 114 ILE CA . 17918 1 1299 . 1 1 111 111 ILE CB C 13 43.683 0.022 . 1 . . . A 114 ILE CB . 17918 1 1300 . 1 1 111 111 ILE CG1 C 13 29.015 0.050 . 1 . . . A 114 ILE CG1 . 17918 1 1301 . 1 1 111 111 ILE CG2 C 13 19.725 0.025 . 1 . . . A 114 ILE CG2 . 17918 1 1302 . 1 1 111 111 ILE CD1 C 13 15.885 0.031 . 1 . . . A 114 ILE CD1 . 17918 1 1303 . 1 1 111 111 ILE N N 15 125.121 0.050 . 1 . . . A 114 ILE N . 17918 1 1304 . 1 1 112 112 LYS H H 1 9.075 0.005 . 1 . . . A 115 LYS H . 17918 1 1305 . 1 1 112 112 LYS HA H 1 5.173 0.019 . 1 . . . A 115 LYS HA . 17918 1 1306 . 1 1 112 112 LYS HB2 H 1 0.143 0.011 . 2 . . . A 115 LYS HB2 . 17918 1 1307 . 1 1 112 112 LYS HB3 H 1 0.674 0.013 . 2 . . . A 115 LYS HB3 . 17918 1 1308 . 1 1 112 112 LYS HG2 H 1 0.581 0.013 . 2 . . . A 115 LYS HG2 . 17918 1 1309 . 1 1 112 112 LYS HG3 H 1 0.712 0.006 . 2 . . . A 115 LYS HG3 . 17918 1 1310 . 1 1 112 112 LYS HD2 H 1 1.618 0.013 . 2 . . . A 115 LYS HD2 . 17918 1 1311 . 1 1 112 112 LYS HD3 H 1 1.108 0.013 . 2 . . . A 115 LYS HD3 . 17918 1 1312 . 1 1 112 112 LYS HE2 H 1 2.679 0.013 . 2 . . . A 115 LYS HE2 . 17918 1 1313 . 1 1 112 112 LYS HE3 H 1 2.711 0.008 . 2 . . . A 115 LYS HE3 . 17918 1 1314 . 1 1 112 112 LYS C C 13 177.267 0.001 . 1 . . . A 115 LYS C . 17918 1 1315 . 1 1 112 112 LYS CA C 13 54.375 0.053 . 1 . . . A 115 LYS CA . 17918 1 1316 . 1 1 112 112 LYS CB C 13 36.513 0.091 . 1 . . . A 115 LYS CB . 17918 1 1317 . 1 1 112 112 LYS CG C 13 25.921 0.001 . 1 . . . A 115 LYS CG . 17918 1 1318 . 1 1 112 112 LYS CD C 13 31.519 0.042 . 1 . . . A 115 LYS CD . 17918 1 1319 . 1 1 112 112 LYS CE C 13 42.874 0.090 . 1 . . . A 115 LYS CE . 17918 1 1320 . 1 1 112 112 LYS N N 15 127.966 0.033 . 1 . . . A 115 LYS N . 17918 1 1321 . 1 1 113 113 ARG H H 1 7.83 0.006 . 1 . . . A 116 ARG H . 17918 1 1322 . 1 1 113 113 ARG HA H 1 4.335 0.014 . 1 . . . A 116 ARG HA . 17918 1 1323 . 1 1 113 113 ARG HB2 H 1 1.676 0.015 . 2 . . . A 116 ARG HB2 . 17918 1 1324 . 1 1 113 113 ARG HB3 H 1 2.073 0.008 . 2 . . . A 116 ARG HB3 . 17918 1 1325 . 1 1 113 113 ARG HG2 H 1 1.449 0.025 . 2 . . . A 116 ARG HG2 . 17918 1 1326 . 1 1 113 113 ARG HG3 H 1 1.718 0.013 . 2 . . . A 116 ARG HG3 . 17918 1 1327 . 1 1 113 113 ARG HD2 H 1 2.684 0.011 . 2 . . . A 116 ARG HD2 . 17918 1 1328 . 1 1 113 113 ARG HD3 H 1 3.56 0.011 . 2 . . . A 116 ARG HD3 . 17918 1 1329 . 1 1 113 113 ARG HE H 1 7.508 0.045 . 1 . . . A 116 ARG HE . 17918 1 1330 . 1 1 113 113 ARG HH11 H 1 6.828 0.037 . 2 . . . A 116 ARG HH11 . 17918 1 1331 . 1 1 113 113 ARG C C 13 176.109 0.001 . 1 . . . A 116 ARG C . 17918 1 1332 . 1 1 113 113 ARG CA C 13 58.823 0.053 . 1 . . . A 116 ARG CA . 17918 1 1333 . 1 1 113 113 ARG CB C 13 31.857 0.080 . 1 . . . A 116 ARG CB . 17918 1 1334 . 1 1 113 113 ARG CG C 13 30.381 0.079 . 1 . . . A 116 ARG CG . 17918 1 1335 . 1 1 113 113 ARG CD C 13 44.231 0.101 . 1 . . . A 116 ARG CD . 17918 1 1336 . 1 1 113 113 ARG N N 15 126.762 0.045 . 1 . . . A 116 ARG N . 17918 1 1337 . 1 1 113 113 ARG NE N 15 85.276 0.037 . 1 . . . A 116 ARG NE . 17918 1 1338 . 1 1 114 114 LEU H H 1 8.534 0.006 . 1 . . . A 117 LEU H . 17918 1 1339 . 1 1 114 114 LEU HA H 1 4.623 0.015 . 1 . . . A 117 LEU HA . 17918 1 1340 . 1 1 114 114 LEU HB2 H 1 0.936 0.024 . 2 . . . A 117 LEU HB2 . 17918 1 1341 . 1 1 114 114 LEU HB3 H 1 1.455 0.029 . 2 . . . A 117 LEU HB3 . 17918 1 1342 . 1 1 114 114 LEU HG H 1 1.515 0.013 . 1 . . . A 117 LEU HG . 17918 1 1343 . 1 1 114 114 LEU HD11 H 1 0.747 0.014 . 2 . . . A 117 LEU HD1* . 17918 1 1344 . 1 1 114 114 LEU HD12 H 1 0.747 0.014 . 2 . . . A 117 LEU HD1* . 17918 1 1345 . 1 1 114 114 LEU HD13 H 1 0.747 0.014 . 2 . . . A 117 LEU HD1* . 17918 1 1346 . 1 1 114 114 LEU HD21 H 1 0.722 0.023 . 2 . . . A 117 LEU HD2* . 17918 1 1347 . 1 1 114 114 LEU HD22 H 1 0.722 0.023 . 2 . . . A 117 LEU HD2* . 17918 1 1348 . 1 1 114 114 LEU HD23 H 1 0.722 0.023 . 2 . . . A 117 LEU HD2* . 17918 1 1349 . 1 1 114 114 LEU C C 13 176.857 0.001 . 1 . . . A 117 LEU C . 17918 1 1350 . 1 1 114 114 LEU CA C 13 55.992 0.067 . 1 . . . A 117 LEU CA . 17918 1 1351 . 1 1 114 114 LEU CB C 13 45.139 0.043 . 1 . . . A 117 LEU CB . 17918 1 1352 . 1 1 114 114 LEU CG C 13 28.325 0.030 . 1 . . . A 117 LEU CG . 17918 1 1353 . 1 1 114 114 LEU CD1 C 13 26.27 0.086 . 2 . . . A 117 LEU CD1 . 17918 1 1354 . 1 1 114 114 LEU CD2 C 13 23.296 0.031 . 2 . . . A 117 LEU CD2 . 17918 1 1355 . 1 1 114 114 LEU N N 15 128.545 0.046 . 1 . . . A 117 LEU N . 17918 1 1356 . 1 1 115 115 ALA H H 1 8.244 0.004 . 1 . . . A 118 ALA H . 17918 1 1357 . 1 1 115 115 ALA HA H 1 4.043 0.007 . 1 . . . A 118 ALA HA . 17918 1 1358 . 1 1 115 115 ALA HB1 H 1 1.405 0.006 . 1 . . . A 118 ALA HB* . 17918 1 1359 . 1 1 115 115 ALA HB2 H 1 1.405 0.006 . 1 . . . A 118 ALA HB* . 17918 1 1360 . 1 1 115 115 ALA HB3 H 1 1.405 0.006 . 1 . . . A 118 ALA HB* . 17918 1 1361 . 1 1 115 115 ALA C C 13 182.152 0.001 . 1 . . . A 118 ALA C . 17918 1 1362 . 1 1 115 115 ALA CA C 13 55.517 0.052 . 1 . . . A 118 ALA CA . 17918 1 1363 . 1 1 115 115 ALA CB C 13 22.466 0.070 . 1 . . . A 118 ALA CB . 17918 1 1364 . 1 1 115 115 ALA N N 15 128.473 0.030 . 1 . . . A 118 ALA N . 17918 1 stop_ save_