data_25942 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25942 _Entry.Title ; Full-length WT SOD1 in DPC MICELLE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-01-06 _Entry.Accession_date 2016-01-06 _Entry.Last_release_date 2016-01-14 _Entry.Original_release_date 2016-01-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Liangzhong Lim . . . . 25942 2 Jianxing Song . . . . 25942 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25942 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DPC MICELLE' . 25942 'Full length SOD1' . 25942 'Superoxide Dismutase 1' . 25942 'phospholipid interaction' . 25942 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25942 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 279 25942 '15N chemical shifts' 158 25942 '1H chemical shifts' 721 25942 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 . . 2016-12-08 . original BMRB . 25942 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NAM 'BMRB Entry Tracking System' 25942 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25942 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27378311 _Citation.Full_citation . _Citation.Title ; SALS-linked WT-SOD1 adopts a highly similar helical conformation as FALS-causing L126Z-SOD1 in a membrane environment ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full . _Citation.Journal_volume 1858 _Citation.Journal_issue 9 _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 2223 _Citation.Page_last 2230 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Liangzhong Lim . . . . 25942 1 2 Jianxing Song . . . . 25942 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25942 _Assembly.ID 1 _Assembly.Name 'Full-length WT SOD1' _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 entity 1 $entity A . yes native no no . . . 25942 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25942 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHATKAVCVLKGDG PVQGIINFEQKESNGPVKVW GSIKGLTEGLHGFHVHEFGD NTAGCTSAGPHFNPLSRKHG GPKDEERHVGDLGNVTADKD GVADVSIEDSVISLSGDHCI IGRTLVVHEKADDLGKGGNE ESTKTGNAGSRLACGVIGIA Q ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 1-8 are the non-native affinity 6xHis-tag of full-length SOD1' _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 161 _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 15827.688 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 -7 MET . 25942 1 2 -6 GLY . 25942 1 3 -5 HIS . 25942 1 4 -4 HIS . 25942 1 5 -3 HIS . 25942 1 6 -2 HIS . 25942 1 7 -1 HIS . 25942 1 8 0 HIS . 25942 1 9 1 ALA . 25942 1 10 2 THR . 25942 1 11 3 LYS . 25942 1 12 4 ALA . 25942 1 13 5 VAL . 25942 1 14 6 CYS . 25942 1 15 7 VAL . 25942 1 16 8 LEU . 25942 1 17 9 LYS . 25942 1 18 10 GLY . 25942 1 19 11 ASP . 25942 1 20 12 GLY . 25942 1 21 13 PRO . 25942 1 22 14 VAL . 25942 1 23 15 GLN . 25942 1 24 16 GLY . 25942 1 25 17 ILE . 25942 1 26 18 ILE . 25942 1 27 19 ASN . 25942 1 28 20 PHE . 25942 1 29 21 GLU . 25942 1 30 22 GLN . 25942 1 31 23 LYS . 25942 1 32 24 GLU . 25942 1 33 25 SER . 25942 1 34 26 ASN . 25942 1 35 27 GLY . 25942 1 36 28 PRO . 25942 1 37 29 VAL . 25942 1 38 30 LYS . 25942 1 39 31 VAL . 25942 1 40 32 TRP . 25942 1 41 33 GLY . 25942 1 42 34 SER . 25942 1 43 35 ILE . 25942 1 44 36 LYS . 25942 1 45 37 GLY . 25942 1 46 38 LEU . 25942 1 47 39 THR . 25942 1 48 40 GLU . 25942 1 49 41 GLY . 25942 1 50 42 LEU . 25942 1 51 43 HIS . 25942 1 52 44 GLY . 25942 1 53 45 PHE . 25942 1 54 46 HIS . 25942 1 55 47 VAL . 25942 1 56 48 HIS . 25942 1 57 49 GLU . 25942 1 58 50 PHE . 25942 1 59 51 GLY . 25942 1 60 52 ASP . 25942 1 61 53 ASN . 25942 1 62 54 THR . 25942 1 63 55 ALA . 25942 1 64 56 GLY . 25942 1 65 57 CYS . 25942 1 66 58 THR . 25942 1 67 59 SER . 25942 1 68 60 ALA . 25942 1 69 61 GLY . 25942 1 70 62 PRO . 25942 1 71 63 HIS . 25942 1 72 64 PHE . 25942 1 73 65 ASN . 25942 1 74 66 PRO . 25942 1 75 67 LEU . 25942 1 76 68 SER . 25942 1 77 69 ARG . 25942 1 78 70 LYS . 25942 1 79 71 HIS . 25942 1 80 72 GLY . 25942 1 81 73 GLY . 25942 1 82 74 PRO . 25942 1 83 75 LYS . 25942 1 84 76 ASP . 25942 1 85 77 GLU . 25942 1 86 78 GLU . 25942 1 87 79 ARG . 25942 1 88 80 HIS . 25942 1 89 81 VAL . 25942 1 90 82 GLY . 25942 1 91 83 ASP . 25942 1 92 84 LEU . 25942 1 93 85 GLY . 25942 1 94 86 ASN . 25942 1 95 87 VAL . 25942 1 96 88 THR . 25942 1 97 89 ALA . 25942 1 98 90 ASP . 25942 1 99 91 LYS . 25942 1 100 92 ASP . 25942 1 101 93 GLY . 25942 1 102 94 VAL . 25942 1 103 95 ALA . 25942 1 104 96 ASP . 25942 1 105 97 VAL . 25942 1 106 98 SER . 25942 1 107 99 ILE . 25942 1 108 100 GLU . 25942 1 109 101 ASP . 25942 1 110 102 SER . 25942 1 111 103 VAL . 25942 1 112 104 ILE . 25942 1 113 105 SER . 25942 1 114 106 LEU . 25942 1 115 107 SER . 25942 1 116 108 GLY . 25942 1 117 109 ASP . 25942 1 118 110 HIS . 25942 1 119 111 CYS . 25942 1 120 112 ILE . 25942 1 121 113 ILE . 25942 1 122 114 GLY . 25942 1 123 115 ARG . 25942 1 124 116 THR . 25942 1 125 117 LEU . 25942 1 126 118 VAL . 25942 1 127 119 VAL . 25942 1 128 120 HIS . 25942 1 129 121 GLU . 25942 1 130 122 LYS . 25942 1 131 123 ALA . 25942 1 132 124 ASP . 25942 1 133 125 ASP . 25942 1 134 126 LEU . 25942 1 135 127 GLY . 25942 1 136 128 LYS . 25942 1 137 129 GLY . 25942 1 138 130 GLY . 25942 1 139 131 ASN . 25942 1 140 132 GLU . 25942 1 141 133 GLU . 25942 1 142 134 SER . 25942 1 143 135 THR . 25942 1 144 136 LYS . 25942 1 145 137 THR . 25942 1 146 138 GLY . 25942 1 147 139 ASN . 25942 1 148 140 ALA . 25942 1 149 141 GLY . 25942 1 150 142 SER . 25942 1 151 143 ARG . 25942 1 152 144 LEU . 25942 1 153 145 ALA . 25942 1 154 146 CYS . 25942 1 155 147 GLY . 25942 1 156 148 VAL . 25942 1 157 149 ILE . 25942 1 158 150 GLY . 25942 1 159 151 ILE . 25942 1 160 152 ALA . 25942 1 161 153 GLN . 25942 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 25942 1 . GLY 2 2 25942 1 . HIS 3 3 25942 1 . HIS 4 4 25942 1 . HIS 5 5 25942 1 . HIS 6 6 25942 1 . HIS 7 7 25942 1 . HIS 8 8 25942 1 . ALA 9 9 25942 1 . THR 10 10 25942 1 . LYS 11 11 25942 1 . ALA 12 12 25942 1 . VAL 13 13 25942 1 . CYS 14 14 25942 1 . VAL 15 15 25942 1 . LEU 16 16 25942 1 . LYS 17 17 25942 1 . GLY 18 18 25942 1 . ASP 19 19 25942 1 . GLY 20 20 25942 1 . PRO 21 21 25942 1 . VAL 22 22 25942 1 . GLN 23 23 25942 1 . GLY 24 24 25942 1 . ILE 25 25 25942 1 . ILE 26 26 25942 1 . ASN 27 27 25942 1 . PHE 28 28 25942 1 . GLU 29 29 25942 1 . GLN 30 30 25942 1 . LYS 31 31 25942 1 . GLU 32 32 25942 1 . SER 33 33 25942 1 . ASN 34 34 25942 1 . GLY 35 35 25942 1 . PRO 36 36 25942 1 . VAL 37 37 25942 1 . LYS 38 38 25942 1 . VAL 39 39 25942 1 . TRP 40 40 25942 1 . GLY 41 41 25942 1 . SER 42 42 25942 1 . ILE 43 43 25942 1 . LYS 44 44 25942 1 . GLY 45 45 25942 1 . LEU 46 46 25942 1 . THR 47 47 25942 1 . GLU 48 48 25942 1 . GLY 49 49 25942 1 . LEU 50 50 25942 1 . HIS 51 51 25942 1 . GLY 52 52 25942 1 . PHE 53 53 25942 1 . HIS 54 54 25942 1 . VAL 55 55 25942 1 . HIS 56 56 25942 1 . GLU 57 57 25942 1 . PHE 58 58 25942 1 . GLY 59 59 25942 1 . ASP 60 60 25942 1 . ASN 61 61 25942 1 . THR 62 62 25942 1 . ALA 63 63 25942 1 . GLY 64 64 25942 1 . CYS 65 65 25942 1 . THR 66 66 25942 1 . SER 67 67 25942 1 . ALA 68 68 25942 1 . GLY 69 69 25942 1 . PRO 70 70 25942 1 . HIS 71 71 25942 1 . PHE 72 72 25942 1 . ASN 73 73 25942 1 . PRO 74 74 25942 1 . LEU 75 75 25942 1 . SER 76 76 25942 1 . ARG 77 77 25942 1 . LYS 78 78 25942 1 . HIS 79 79 25942 1 . GLY 80 80 25942 1 . GLY 81 81 25942 1 . PRO 82 82 25942 1 . LYS 83 83 25942 1 . ASP 84 84 25942 1 . GLU 85 85 25942 1 . GLU 86 86 25942 1 . ARG 87 87 25942 1 . HIS 88 88 25942 1 . VAL 89 89 25942 1 . GLY 90 90 25942 1 . ASP 91 91 25942 1 . LEU 92 92 25942 1 . GLY 93 93 25942 1 . ASN 94 94 25942 1 . VAL 95 95 25942 1 . THR 96 96 25942 1 . ALA 97 97 25942 1 . ASP 98 98 25942 1 . LYS 99 99 25942 1 . ASP 100 100 25942 1 . GLY 101 101 25942 1 . VAL 102 102 25942 1 . ALA 103 103 25942 1 . ASP 104 104 25942 1 . VAL 105 105 25942 1 . SER 106 106 25942 1 . ILE 107 107 25942 1 . GLU 108 108 25942 1 . ASP 109 109 25942 1 . SER 110 110 25942 1 . VAL 111 111 25942 1 . ILE 112 112 25942 1 . SER 113 113 25942 1 . LEU 114 114 25942 1 . SER 115 115 25942 1 . GLY 116 116 25942 1 . ASP 117 117 25942 1 . HIS 118 118 25942 1 . CYS 119 119 25942 1 . ILE 120 120 25942 1 . ILE 121 121 25942 1 . GLY 122 122 25942 1 . ARG 123 123 25942 1 . THR 124 124 25942 1 . LEU 125 125 25942 1 . VAL 126 126 25942 1 . VAL 127 127 25942 1 . HIS 128 128 25942 1 . GLU 129 129 25942 1 . LYS 130 130 25942 1 . ALA 131 131 25942 1 . ASP 132 132 25942 1 . ASP 133 133 25942 1 . LEU 134 134 25942 1 . GLY 135 135 25942 1 . LYS 136 136 25942 1 . GLY 137 137 25942 1 . GLY 138 138 25942 1 . ASN 139 139 25942 1 . GLU 140 140 25942 1 . GLU 141 141 25942 1 . SER 142 142 25942 1 . THR 143 143 25942 1 . LYS 144 144 25942 1 . THR 145 145 25942 1 . GLY 146 146 25942 1 . ASN 147 147 25942 1 . ALA 148 148 25942 1 . GLY 149 149 25942 1 . SER 150 150 25942 1 . ARG 151 151 25942 1 . LEU 152 152 25942 1 . ALA 153 153 25942 1 . CYS 154 154 25942 1 . GLY 155 155 25942 1 . VAL 156 156 25942 1 . ILE 157 157 25942 1 . GLY 158 158 25942 1 . ILE 159 159 25942 1 . ALA 160 160 25942 1 . GLN 161 161 25942 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 25942 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21 DE3 . . . . . . . . . . . 25942 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 25942 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-28a . . . 25942 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25942 _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 DPC 'natural abundance' . . . . . . 20 . . mM . . . . 25942 1 2 entity '[U-13C; U-15N]' . . 1 $entity . . 0.4 . . mM . . . . 25942 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 25942 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 25942 1 pH 4 . pH 25942 1 pressure 1 . atm 25942 1 temperature 313 . K 25942 1 stop_ save_ ############################ # Computer software used # ############################ save_Gromacs _Software.Sf_category software _Software.Sf_framecode Gromacs _Software.Entry_ID 25942 _Software.ID 1 _Software.Name Gromacs _Software.Version 4.5.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'David van der Spoel, and Erik Lindahl' . . 25942 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25942 1 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 25942 _Software.ID 2 _Software.Name Cyana _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25942 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25942 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 25942 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25942 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 800 . . . 25942 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 25942 _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 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 25942 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 25942 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 25942 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 25942 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 25942 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 25942 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25942 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25942 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25942 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 25942 _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 1 '3D HNCACB' . . . 25942 1 2 '3D 1H-15N NOESY' . . . 25942 1 3 '3D 1H-15N TOCSY' . . . 25942 1 4 '3D CBCA(CO)NH' . . . 25942 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 9 9 ALA H H 1 8.537 . . . . . . A 1 ALA H . 25942 1 2 . 1 1 9 9 ALA HA H 1 4.356 . . . . . . A 1 ALA HA . 25942 1 3 . 1 1 9 9 ALA HB1 H 1 1.378 . . . . . . A 1 ALA HB1 . 25942 1 4 . 1 1 9 9 ALA HB2 H 1 1.378 . . . . . . A 1 ALA HB2 . 25942 1 5 . 1 1 9 9 ALA HB3 H 1 1.378 . . . . . . A 1 ALA HB3 . 25942 1 6 . 1 1 9 9 ALA CA C 13 52.945 . . . . . . A 1 ALA CA . 25942 1 7 . 1 1 9 9 ALA CB C 13 19.610 . . . . . . A 1 ALA CB . 25942 1 8 . 1 1 9 9 ALA N N 15 125.986 . . . . . . A 1 ALA N . 25942 1 9 . 1 1 10 10 THR H H 1 8.104 . . . . . . A 2 THR H . 25942 1 10 . 1 1 10 10 THR HA H 1 4.269 . . . . . . A 2 THR HA . 25942 1 11 . 1 1 10 10 THR HG21 H 1 1.217 . . . . . . A 2 THR HG1 . 25942 1 12 . 1 1 10 10 THR HG22 H 1 1.217 . . . . . . A 2 THR HG1 . 25942 1 13 . 1 1 10 10 THR HG23 H 1 1.217 . . . . . . A 2 THR HG1 . 25942 1 14 . 1 1 10 10 THR CA C 13 62.596 . . . . . . A 2 THR CA . 25942 1 15 . 1 1 10 10 THR CB C 13 70.023 . . . . . . A 2 THR CB . 25942 1 16 . 1 1 10 10 THR N N 15 113.878 . . . . . . A 2 THR N . 25942 1 17 . 1 1 11 11 LYS H H 1 8.253 . . . . . . A 3 LYS H . 25942 1 18 . 1 1 11 11 LYS HA H 1 4.273 . . . . . . A 3 LYS HA . 25942 1 19 . 1 1 11 11 LYS HB2 H 1 1.829 . . . . . . A 3 LYS HB2 . 25942 1 20 . 1 1 11 11 LYS HB3 H 1 1.775 . . . . . . A 3 LYS HB3 . 25942 1 21 . 1 1 11 11 LYS HG2 H 1 1.431 . . . . . . A 3 LYS HG2 . 25942 1 22 . 1 1 11 11 LYS CA C 13 57.104 . . . . . . A 3 LYS CA . 25942 1 23 . 1 1 11 11 LYS CB C 13 33.257 . . . . . . A 3 LYS CB . 25942 1 24 . 1 1 11 11 LYS N N 15 123.121 . . . . . . A 3 LYS N . 25942 1 25 . 1 1 12 12 ALA H H 1 8.231 . . . . . . A 4 ALA H . 25942 1 26 . 1 1 12 12 ALA HA H 1 4.247 . . . . . . A 4 ALA HA . 25942 1 27 . 1 1 12 12 ALA HB1 H 1 1.369 . . . . . . A 4 ALA HB1 . 25942 1 28 . 1 1 12 12 ALA HB2 H 1 1.369 . . . . . . A 4 ALA HB2 . 25942 1 29 . 1 1 12 12 ALA HB3 H 1 1.369 . . . . . . A 4 ALA HB3 . 25942 1 30 . 1 1 12 12 ALA CA C 13 53.390 . . . . . . A 4 ALA CA . 25942 1 31 . 1 1 12 12 ALA CB C 13 19.486 . . . . . . A 4 ALA CB . 25942 1 32 . 1 1 12 12 ALA N N 15 124.237 . . . . . . A 4 ALA N . 25942 1 33 . 1 1 13 13 VAL H H 1 7.938 . . . . . . A 5 VAL H . 25942 1 34 . 1 1 13 13 VAL HA H 1 3.984 . . . . . . A 5 VAL HA . 25942 1 35 . 1 1 13 13 VAL HB H 1 2.112 . . . . . . A 5 VAL HB . 25942 1 36 . 1 1 13 13 VAL HG21 H 1 0.958 . . . . . . A 5 VAL HG21 . 25942 1 37 . 1 1 13 13 VAL HG22 H 1 0.958 . . . . . . A 5 VAL HG22 . 25942 1 38 . 1 1 13 13 VAL HG23 H 1 0.958 . . . . . . A 5 VAL HG23 . 25942 1 39 . 1 1 13 13 VAL CA C 13 63.495 . . . . . . A 5 VAL CA . 25942 1 40 . 1 1 13 13 VAL CB C 13 32.777 . . . . . . A 5 VAL CB . 25942 1 41 . 1 1 13 13 VAL N N 15 117.324 . . . . . . A 5 VAL N . 25942 1 42 . 1 1 14 14 CYS H H 1 8.192 . . . . . . A 6 CYS H . 25942 1 43 . 1 1 14 14 CYS HA H 1 4.585 . . . . . . A 6 CYS HA . 25942 1 44 . 1 1 14 14 CYS HB3 H 1 3.006 . . . . . . A 6 CYS HB3 . 25942 1 45 . 1 1 14 14 CYS CA C 13 59.774 . . . . . . A 6 CYS CA . 25942 1 46 . 1 1 14 14 CYS CB C 13 27.804 . . . . . . A 6 CYS CB . 25942 1 47 . 1 1 14 14 CYS N N 15 121.485 . . . . . . A 6 CYS N . 25942 1 48 . 1 1 15 15 VAL H H 1 8.043 . . . . . . A 7 VAL H . 25942 1 49 . 1 1 15 15 VAL HA H 1 4.038 . . . . . . A 7 VAL HA . 25942 1 50 . 1 1 15 15 VAL HB H 1 2.125 . . . . . . A 7 VAL HB . 25942 1 51 . 1 1 15 15 VAL HG21 H 1 0.941 . . . . . . A 7 VAL HG21 . 25942 1 52 . 1 1 15 15 VAL HG22 H 1 0.941 . . . . . . A 7 VAL HG22 . 25942 1 53 . 1 1 15 15 VAL HG23 H 1 0.941 . . . . . . A 7 VAL HG23 . 25942 1 54 . 1 1 15 15 VAL CA C 13 63.662 . . . . . . A 7 VAL CA . 25942 1 55 . 1 1 15 15 VAL CB C 13 32.544 . . . . . . A 7 VAL CB . 25942 1 56 . 1 1 15 15 VAL N N 15 121.087 . . . . . . A 7 VAL N . 25942 1 57 . 1 1 16 16 LEU H H 1 8.011 . . . . . . A 8 LEU H . 25942 1 58 . 1 1 16 16 LEU HA H 1 4.284 . . . . . . A 8 LEU HA . 25942 1 59 . 1 1 16 16 LEU HB2 H 1 1.675 . . . . . . A 8 LEU HB2 . 25942 1 60 . 1 1 16 16 LEU HG H 1 1.599 . . . . . . A 8 LEU HG . 25942 1 61 . 1 1 16 16 LEU HD11 H 1 0.924 . . . . . . A 8 LEU HD11 . 25942 1 62 . 1 1 16 16 LEU HD12 H 1 0.924 . . . . . . A 8 LEU HD12 . 25942 1 63 . 1 1 16 16 LEU HD13 H 1 0.924 . . . . . . A 8 LEU HD13 . 25942 1 64 . 1 1 16 16 LEU CA C 13 55.722 . . . . . . A 8 LEU CA . 25942 1 65 . 1 1 16 16 LEU CB C 13 42.121 . . . . . . A 8 LEU CB . 25942 1 66 . 1 1 16 16 LEU N N 15 122.536 . . . . . . A 8 LEU N . 25942 1 67 . 1 1 17 17 LYS H H 1 8.002 . . . . . . A 9 LYS H . 25942 1 68 . 1 1 17 17 LYS HA H 1 4.323 . . . . . . A 9 LYS HA . 25942 1 69 . 1 1 17 17 LYS HB3 H 1 1.870 . . . . . . A 9 LYS HB3 . 25942 1 70 . 1 1 17 17 LYS HG2 H 1 1.408 . . . . . . A 9 LYS HG2 . 25942 1 71 . 1 1 17 17 LYS HD2 H 1 1.744 . . . . . . A 9 LYS HD2 . 25942 1 72 . 1 1 17 17 LYS CA C 13 56.676 . . . . . . A 9 LYS CA . 25942 1 73 . 1 1 17 17 LYS CB C 13 33.032 . . . . . . A 9 LYS CB . 25942 1 74 . 1 1 17 17 LYS N N 15 120.294 . . . . . . A 9 LYS N . 25942 1 75 . 1 1 18 18 GLY H H 1 8.398 . . . . . . A 10 GLY H . 25942 1 76 . 1 1 18 18 GLY HA3 H 1 3.892 . . . . . . A 10 GLY HA3 . 25942 1 77 . 1 1 18 18 GLY CA C 13 45.631 . . . . . . A 10 GLY CA . 25942 1 78 . 1 1 18 18 GLY N N 15 109.728 . . . . . . A 10 GLY N . 25942 1 79 . 1 1 19 19 ASP H H 1 8.173 . . . . . . A 11 ASP H . 25942 1 80 . 1 1 19 19 ASP HA H 1 4.731 . . . . . . A 11 ASP HA . 25942 1 81 . 1 1 19 19 ASP HB3 H 1 2.776 . . . . . . A 11 ASP HB3 . 25942 1 82 . 1 1 19 19 ASP CA C 13 53.394 . . . . . . A 11 ASP CA . 25942 1 83 . 1 1 19 19 ASP CB C 13 39.189 . . . . . . A 11 ASP CB . 25942 1 84 . 1 1 19 19 ASP N N 15 118.485 . . . . . . A 11 ASP N . 25942 1 85 . 1 1 20 20 GLY H H 1 8.388 . . . . . . A 12 GLY H . 25942 1 86 . 1 1 20 20 GLY HA3 H 1 4.120 . . . . . . A 12 GLY HA3 . 25942 1 87 . 1 1 20 20 GLY CA C 13 46.409 . . . . . . A 12 GLY CA . 25942 1 88 . 1 1 20 20 GLY N N 15 109.050 . . . . . . A 12 GLY N . 25942 1 89 . 1 1 21 21 PRO HA H 1 4.417 . . . . . . A 13 PRO HA . 25942 1 90 . 1 1 21 21 PRO CA C 13 64.874 . . . . . . A 13 PRO CA . 25942 1 91 . 1 1 21 21 PRO CB C 13 32.400 . . . . . . A 13 PRO CB . 25942 1 92 . 1 1 22 22 VAL H H 1 7.951 . . . . . . A 14 VAL H . 25942 1 93 . 1 1 22 22 VAL HA H 1 3.756 . . . . . . A 14 VAL HA . 25942 1 94 . 1 1 22 22 VAL HB H 1 2.161 . . . . . . A 14 VAL HB . 25942 1 95 . 1 1 22 22 VAL HG11 H 1 0.925 . . . . . . A 14 VAL HG11 . 25942 1 96 . 1 1 22 22 VAL HG12 H 1 0.925 . . . . . . A 14 VAL HG12 . 25942 1 97 . 1 1 22 22 VAL HG13 H 1 0.925 . . . . . . A 14 VAL HG13 . 25942 1 98 . 1 1 22 22 VAL HG21 H 1 0.999 . . . . . . A 14 VAL HG21 . 25942 1 99 . 1 1 22 22 VAL HG22 H 1 0.999 . . . . . . A 14 VAL HG22 . 25942 1 100 . 1 1 22 22 VAL HG23 H 1 0.999 . . . . . . A 14 VAL HG23 . 25942 1 101 . 1 1 22 22 VAL CA C 13 65.860 . . . . . . A 14 VAL CA . 25942 1 102 . 1 1 22 22 VAL CB C 13 31.773 . . . . . . A 14 VAL CB . 25942 1 103 . 1 1 22 22 VAL N N 15 116.944 . . . . . . A 14 VAL N . 25942 1 104 . 1 1 23 23 GLN H H 1 8.261 . . . . . . A 15 GLN H . 25942 1 105 . 1 1 23 23 GLN HA H 1 3.977 . . . . . . A 15 GLN HA . 25942 1 106 . 1 1 23 23 GLN HB2 H 1 2.136 . . . . . . A 15 GLN HB2 . 25942 1 107 . 1 1 23 23 GLN HB3 H 1 2.043 . . . . . . A 15 GLN HB3 . 25942 1 108 . 1 1 23 23 GLN HG3 H 1 2.424 . . . . . . A 15 GLN HG3 . 25942 1 109 . 1 1 23 23 GLN HE21 H 1 6.816 . . . . . . A 15 GLN HE21 . 25942 1 110 . 1 1 23 23 GLN HE22 H 1 7.437 . . . . . . A 15 GLN HE22 . 25942 1 111 . 1 1 23 23 GLN CA C 13 58.770 . . . . . . A 15 GLN CA . 25942 1 112 . 1 1 23 23 GLN CB C 13 28.499 . . . . . . A 15 GLN CB . 25942 1 113 . 1 1 23 23 GLN N N 15 120.020 . . . . . . A 15 GLN N . 25942 1 114 . 1 1 23 23 GLN NE2 N 15 112.276 . . . . . . A 15 GLN NE2 . 25942 1 115 . 1 1 24 24 GLY H H 1 8.269 . . . . . . A 16 GLY H . 25942 1 116 . 1 1 24 24 GLY HA2 H 1 3.947 . . . . . . A 16 GLY HA2 . 25942 1 117 . 1 1 24 24 GLY HA3 H 1 3.885 . . . . . . A 16 GLY HA3 . 25942 1 118 . 1 1 24 24 GLY CA C 13 47.182 . . . . . . A 16 GLY CA . 25942 1 119 . 1 1 24 24 GLY N N 15 106.677 . . . . . . A 16 GLY N . 25942 1 120 . 1 1 25 25 ILE H H 1 7.937 . . . . . . A 17 ILE H . 25942 1 121 . 1 1 25 25 ILE HA H 1 3.881 . . . . . . A 17 ILE HA . 25942 1 122 . 1 1 25 25 ILE HB H 1 2.031 . . . . . . A 17 ILE HB . 25942 1 123 . 1 1 25 25 ILE HG12 H 1 1.115 . . . . . . A 17 ILE HG13 . 25942 1 124 . 1 1 25 25 ILE HG13 H 1 0.952 . . . . . . A 17 ILE HG13 . 25942 1 125 . 1 1 25 25 ILE HG21 H 1 0.943 . . . . . . A 17 ILE HG21 . 25942 1 126 . 1 1 25 25 ILE HG22 H 1 0.943 . . . . . . A 17 ILE HG22 . 25942 1 127 . 1 1 25 25 ILE HG23 H 1 0.943 . . . . . . A 17 ILE HG23 . 25942 1 128 . 1 1 25 25 ILE HD11 H 1 0.852 . . . . . . A 17 ILE HD11 . 25942 1 129 . 1 1 25 25 ILE HD12 H 1 0.852 . . . . . . A 17 ILE HD12 . 25942 1 130 . 1 1 25 25 ILE HD13 H 1 0.852 . . . . . . A 17 ILE HD13 . 25942 1 131 . 1 1 25 25 ILE CA C 13 64.841 . . . . . . A 17 ILE CA . 25942 1 132 . 1 1 25 25 ILE CB C 13 38.311 . . . . . . A 17 ILE CB . 25942 1 133 . 1 1 25 25 ILE N N 15 121.945 . . . . . . A 17 ILE N . 25942 1 134 . 1 1 26 26 ILE H H 1 8.020 . . . . . . A 18 ILE H . 25942 1 135 . 1 1 26 26 ILE HA H 1 3.757 . . . . . . A 18 ILE HA . 25942 1 136 . 1 1 26 26 ILE CA C 13 64.974 . . . . . . A 18 ILE CA . 25942 1 137 . 1 1 26 26 ILE CB C 13 38.064 . . . . . . A 18 ILE CB . 25942 1 138 . 1 1 26 26 ILE N N 15 120.783 . . . . . . A 18 ILE N . 25942 1 139 . 1 1 27 27 ASN H H 1 8.390 . . . . . . A 19 ASN H . 25942 1 140 . 1 1 27 27 ASN HA H 1 4.487 . . . . . . A 19 ASN HA . 25942 1 141 . 1 1 27 27 ASN HB2 H 1 2.896 . . . . . . A 19 ASN HB2 . 25942 1 142 . 1 1 27 27 ASN HB3 H 1 2.822 . . . . . . A 19 ASN HB3 . 25942 1 143 . 1 1 27 27 ASN HD21 H 1 6.871 . . . . . . A 19 ASN HD21 . 25942 1 144 . 1 1 27 27 ASN HD22 H 1 7.619 . . . . . . A 19 ASN HD22 . 25942 1 145 . 1 1 27 27 ASN CA C 13 55.920 . . . . . . A 19 ASN CA . 25942 1 146 . 1 1 27 27 ASN CB C 13 38.571 . . . . . . A 19 ASN CB . 25942 1 147 . 1 1 27 27 ASN N N 15 118.486 . . . . . . A 19 ASN N . 25942 1 148 . 1 1 27 27 ASN ND2 N 15 111.366 . . . . . . A 19 ASN ND2 . 25942 1 149 . 1 1 28 28 PHE H H 1 8.046 . . . . . . A 20 PHE H . 25942 1 150 . 1 1 28 28 PHE HA H 1 4.292 . . . . . . A 20 PHE HA . 25942 1 151 . 1 1 28 28 PHE HB3 H 1 3.243 . . . . . . A 20 PHE HB3 . 25942 1 152 . 1 1 28 28 PHE CA C 13 61.311 . . . . . . A 20 PHE CA . 25942 1 153 . 1 1 28 28 PHE CB C 13 39.704 . . . . . . A 20 PHE CB . 25942 1 154 . 1 1 28 28 PHE N N 15 120.505 . . . . . . A 20 PHE N . 25942 1 155 . 1 1 29 29 GLU H H 1 8.410 . . . . . . A 21 GLU H . 25942 1 156 . 1 1 29 29 GLU HA H 1 3.875 . . . . . . A 21 GLU HA . 25942 1 157 . 1 1 29 29 GLU HB2 H 1 2.071 . . . . . . A 21 GLU HB2 . 25942 1 158 . 1 1 29 29 GLU HG2 H 1 2.490 . . . . . . A 21 GLU HG2 . 25942 1 159 . 1 1 29 29 GLU HG3 H 1 2.339 . . . . . . A 21 GLU HG3 . 25942 1 160 . 1 1 29 29 GLU CA C 13 59.172 . . . . . . A 21 GLU CA . 25942 1 161 . 1 1 29 29 GLU CB C 13 28.011 . . . . . . A 21 GLU CB . 25942 1 162 . 1 1 29 29 GLU N N 15 118.577 . . . . . . A 21 GLU N . 25942 1 163 . 1 1 30 30 GLN H H 1 8.176 . . . . . . A 22 GLN H . 25942 1 164 . 1 1 30 30 GLN HA H 1 4.017 . . . . . . A 22 GLN HA . 25942 1 165 . 1 1 30 30 GLN HB3 H 1 2.130 . . . . . . A 22 GLN HB3 . 25942 1 166 . 1 1 30 30 GLN HG2 H 1 2.497 . . . . . . A 22 GLN HG2 . 25942 1 167 . 1 1 30 30 GLN HG3 H 1 2.399 . . . . . . A 22 GLN HG3 . 25942 1 168 . 1 1 30 30 GLN HE21 H 1 6.779 . . . . . . A 22 GLN HE21 . 25942 1 169 . 1 1 30 30 GLN HE22 H 1 7.412 . . . . . . A 22 GLN HE22 . 25942 1 170 . 1 1 30 30 GLN CA C 13 58.262 . . . . . . A 22 GLN CA . 25942 1 171 . 1 1 30 30 GLN CB C 13 29.152 . . . . . . A 22 GLN CB . 25942 1 172 . 1 1 30 30 GLN N N 15 117.667 . . . . . . A 22 GLN N . 25942 1 173 . 1 1 30 30 GLN NE2 N 15 111.787 . . . . . . A 22 GLN NE2 . 25942 1 174 . 1 1 31 31 LYS H H 1 7.764 . . . . . . A 23 LYS H . 25942 1 175 . 1 1 31 31 LYS HA H 1 4.182 . . . . . . A 23 LYS HA . 25942 1 176 . 1 1 31 31 LYS HB2 H 1 1.826 . . . . . . A 23 LYS HB2 . 25942 1 177 . 1 1 31 31 LYS HB3 H 1 1.635 . . . . . . A 23 LYS HB3 . 25942 1 178 . 1 1 31 31 LYS HG2 H 1 1.451 . . . . . . A 23 LYS HG2 . 25942 1 179 . 1 1 31 31 LYS CA C 13 57.936 . . . . . . A 23 LYS CA . 25942 1 180 . 1 1 31 31 LYS CB C 13 33.006 . . . . . . A 23 LYS CB . 25942 1 181 . 1 1 31 31 LYS N N 15 119.015 . . . . . . A 23 LYS N . 25942 1 182 . 1 1 32 32 GLU H H 1 7.840 . . . . . . A 24 GLU H . 25942 1 183 . 1 1 32 32 GLU HA H 1 4.274 . . . . . . A 24 GLU HA . 25942 1 184 . 1 1 32 32 GLU HB2 H 1 1.730 . . . . . . A 24 GLU HB2 . 25942 1 185 . 1 1 32 32 GLU HG2 H 1 2.133 . . . . . . A 24 GLU HG2 . 25942 1 186 . 1 1 32 32 GLU HG3 H 1 2.018 . . . . . . A 24 GLU HG3 . 25942 1 187 . 1 1 32 32 GLU CA C 13 56.296 . . . . . . A 24 GLU CA . 25942 1 188 . 1 1 32 32 GLU CB C 13 28.680 . . . . . . A 24 GLU CB . 25942 1 189 . 1 1 32 32 GLU N N 15 118.042 . . . . . . A 24 GLU N . 25942 1 190 . 1 1 33 33 SER H H 1 7.939 . . . . . . A 25 SER H . 25942 1 191 . 1 1 33 33 SER HA H 1 4.289 . . . . . . A 25 SER HA . 25942 1 192 . 1 1 33 33 SER HB3 H 1 3.867 . . . . . . A 25 SER HB3 . 25942 1 193 . 1 1 33 33 SER CA C 13 59.599 . . . . . . A 25 SER CA . 25942 1 194 . 1 1 33 33 SER CB C 13 64.003 . . . . . . A 25 SER CB . 25942 1 195 . 1 1 33 33 SER N N 15 114.748 . . . . . . A 25 SER N . 25942 1 196 . 1 1 34 34 ASN H H 1 8.143 . . . . . . A 26 ASN H . 25942 1 197 . 1 1 34 34 ASN HA H 1 4.768 . . . . . . A 26 ASN HA . 25942 1 198 . 1 1 34 34 ASN HB2 H 1 2.849 . . . . . . A 26 ASN HB2 . 25942 1 199 . 1 1 34 34 ASN HB3 H 1 2.754 . . . . . . A 26 ASN HB3 . 25942 1 200 . 1 1 34 34 ASN HD21 H 1 7.500 . . . . . . A 26 ASN HD21 . 25942 1 201 . 1 1 34 34 ASN HD22 H 1 6.820 . . . . . . A 26 ASN HD22 . 25942 1 202 . 1 1 34 34 ASN CA C 13 53.617 . . . . . . A 26 ASN CA . 25942 1 203 . 1 1 34 34 ASN CB C 13 39.383 . . . . . . A 26 ASN CB . 25942 1 204 . 1 1 34 34 ASN N N 15 119.394 . . . . . . A 26 ASN N . 25942 1 205 . 1 1 34 34 ASN ND2 N 15 112.074 . . . . . . A 26 ASN ND2 . 25942 1 206 . 1 1 35 35 GLY H H 1 8.104 . . . . . . A 27 GLY H . 25942 1 207 . 1 1 35 35 GLY HA3 H 1 4.056 . . . . . . A 27 GLY HA3 . 25942 1 208 . 1 1 35 35 GLY CA C 13 46.080 . . . . . . A 27 GLY CA . 25942 1 209 . 1 1 35 35 GLY N N 15 108.224 . . . . . . A 27 GLY N . 25942 1 210 . 1 1 36 36 PRO CA C 13 64.690 . . . . . . A 28 PRO CA . 25942 1 211 . 1 1 36 36 PRO CB C 13 32.442 . . . . . . A 28 PRO CB . 25942 1 212 . 1 1 37 37 VAL H H 1 7.885 . . . . . . A 29 VAL H . 25942 1 213 . 1 1 37 37 VAL HA H 1 3.935 . . . . . . A 29 VAL HA . 25942 1 214 . 1 1 37 37 VAL HB H 1 2.088 . . . . . . A 29 VAL HB . 25942 1 215 . 1 1 37 37 VAL HG11 H 1 0.948 . . . . . . A 29 VAL HG11 . 25942 1 216 . 1 1 37 37 VAL HG12 H 1 0.948 . . . . . . A 29 VAL HG12 . 25942 1 217 . 1 1 37 37 VAL HG13 H 1 0.948 . . . . . . A 29 VAL HG13 . 25942 1 218 . 1 1 37 37 VAL HG21 H 1 0.854 . . . . . . A 29 VAL HG21 . 25942 1 219 . 1 1 37 37 VAL HG22 H 1 0.854 . . . . . . A 29 VAL HG22 . 25942 1 220 . 1 1 37 37 VAL HG23 H 1 0.854 . . . . . . A 29 VAL HG23 . 25942 1 221 . 1 1 37 37 VAL CA C 13 64.369 . . . . . . A 29 VAL CA . 25942 1 222 . 1 1 37 37 VAL CB C 13 32.367 . . . . . . A 29 VAL CB . 25942 1 223 . 1 1 37 37 VAL N N 15 120.143 . . . . . . A 29 VAL N . 25942 1 224 . 1 1 38 38 LYS H H 1 8.285 . . . . . . A 30 LYS H . 25942 1 225 . 1 1 38 38 LYS HA H 1 4.313 . . . . . . A 30 LYS HA . 25942 1 226 . 1 1 38 38 LYS HB3 H 1 1.858 . . . . . . A 30 LYS HB3 . 25942 1 227 . 1 1 38 38 LYS HG2 H 1 1.493 . . . . . . A 30 LYS HG2 . 25942 1 228 . 1 1 38 38 LYS CA C 13 57.700 . . . . . . A 30 LYS CA . 25942 1 229 . 1 1 38 38 LYS CB C 13 32.595 . . . . . . A 30 LYS CB . 25942 1 230 . 1 1 38 38 LYS N N 15 123.773 . . . . . . A 30 LYS N . 25942 1 231 . 1 1 39 39 VAL H H 1 8.115 . . . . . . A 31 VAL H . 25942 1 232 . 1 1 39 39 VAL HA H 1 3.862 . . . . . . A 31 VAL HA . 25942 1 233 . 1 1 39 39 VAL HB H 1 2.111 . . . . . . A 31 VAL HB . 25942 1 234 . 1 1 39 39 VAL HG11 H 1 0.829 . . . . . . A 31 VAL HG11 . 25942 1 235 . 1 1 39 39 VAL HG12 H 1 0.829 . . . . . . A 31 VAL HG12 . 25942 1 236 . 1 1 39 39 VAL HG13 H 1 0.829 . . . . . . A 31 VAL HG13 . 25942 1 237 . 1 1 39 39 VAL HG21 H 1 0.934 . . . . . . A 31 VAL HG21 . 25942 1 238 . 1 1 39 39 VAL HG22 H 1 0.934 . . . . . . A 31 VAL HG22 . 25942 1 239 . 1 1 39 39 VAL HG23 H 1 0.934 . . . . . . A 31 VAL HG23 . 25942 1 240 . 1 1 39 39 VAL CA C 13 65.211 . . . . . . A 31 VAL CA . 25942 1 241 . 1 1 39 39 VAL CB C 13 32.386 . . . . . . A 31 VAL CB . 25942 1 242 . 1 1 39 39 VAL N N 15 119.334 . . . . . . A 31 VAL N . 25942 1 243 . 1 1 40 40 TRP H H 1 8.133 . . . . . . A 32 TRP H . 25942 1 244 . 1 1 40 40 TRP HA H 1 4.553 . . . . . . A 32 TRP HA . 25942 1 245 . 1 1 40 40 TRP HB2 H 1 3.344 . . . . . . A 32 TRP HB2 . 25942 1 246 . 1 1 40 40 TRP CA C 13 59.589 . . . . . . A 32 TRP CA . 25942 1 247 . 1 1 40 40 TRP CB C 13 29.984 . . . . . . A 32 TRP CB . 25942 1 248 . 1 1 40 40 TRP N N 15 121.043 . . . . . . A 32 TRP N . 25942 1 249 . 1 1 41 41 GLY H H 1 8.239 . . . . . . A 33 GLY H . 25942 1 250 . 1 1 41 41 GLY HA2 H 1 3.946 . . . . . . A 33 GLY HA2 . 25942 1 251 . 1 1 41 41 GLY HA3 H 1 3.734 . . . . . . A 33 GLY HA3 . 25942 1 252 . 1 1 41 41 GLY CA C 13 47.162 . . . . . . A 33 GLY CA . 25942 1 253 . 1 1 41 41 GLY N N 15 105.149 . . . . . . A 33 GLY N . 25942 1 254 . 1 1 42 42 SER H H 1 7.846 . . . . . . A 34 SER H . 25942 1 255 . 1 1 42 42 SER HA H 1 4.419 . . . . . . A 34 SER HA . 25942 1 256 . 1 1 42 42 SER HB2 H 1 3.871 . . . . . . A 34 SER HB2 . 25942 1 257 . 1 1 42 42 SER HB3 H 1 3.999 . . . . . . A 34 SER HB3 . 25942 1 258 . 1 1 42 42 SER CA C 13 61.268 . . . . . . A 34 SER CA . 25942 1 259 . 1 1 42 42 SER CB C 13 63.858 . . . . . . A 34 SER CB . 25942 1 260 . 1 1 42 42 SER N N 15 116.819 . . . . . . A 34 SER N . 25942 1 261 . 1 1 43 43 ILE H H 1 7.964 . . . . . . A 35 ILE H . 25942 1 262 . 1 1 43 43 ILE HA H 1 3.866 . . . . . . A 35 ILE HA . 25942 1 263 . 1 1 43 43 ILE HB H 1 1.958 . . . . . . A 35 ILE HB . 25942 1 264 . 1 1 43 43 ILE HG12 H 1 1.586 . . . . . . A 35 ILE HG13 . 25942 1 265 . 1 1 43 43 ILE HG13 H 1 1.258 . . . . . . A 35 ILE HG13 . 25942 1 266 . 1 1 43 43 ILE HG21 H 1 0.926 . . . . . . A 35 ILE HG21 . 25942 1 267 . 1 1 43 43 ILE HG22 H 1 0.926 . . . . . . A 35 ILE HG22 . 25942 1 268 . 1 1 43 43 ILE HG23 H 1 0.926 . . . . . . A 35 ILE HG23 . 25942 1 269 . 1 1 43 43 ILE HD11 H 1 0.828 . . . . . . A 35 ILE HD11 . 25942 1 270 . 1 1 43 43 ILE HD12 H 1 0.828 . . . . . . A 35 ILE HD12 . 25942 1 271 . 1 1 43 43 ILE HD13 H 1 0.828 . . . . . . A 35 ILE HD13 . 25942 1 272 . 1 1 43 43 ILE CA C 13 64.313 . . . . . . A 35 ILE CA . 25942 1 273 . 1 1 43 43 ILE CB C 13 38.571 . . . . . . A 35 ILE CB . 25942 1 274 . 1 1 43 43 ILE N N 15 120.825 . . . . . . A 35 ILE N . 25942 1 275 . 1 1 44 44 LYS HB3 H 1 1.846 . . . . . . A 36 LYS HB3 . 25942 1 276 . 1 1 44 44 LYS HD2 H 1 1.566 . . . . . . A 36 LYS HD2 . 25942 1 277 . 1 1 44 44 LYS CA C 13 57.121 . . . . . . A 36 LYS CA . 25942 1 278 . 1 1 44 44 LYS CB C 13 33.285 . . . . . . A 36 LYS CB . 25942 1 279 . 1 1 45 45 GLY H H 1 8.085 . . . . . . A 37 GLY H . 25942 1 280 . 1 1 45 45 GLY HA3 H 1 3.872 . . . . . . A 37 GLY HA3 . 25942 1 281 . 1 1 45 45 GLY CA C 13 46.772 . . . . . . A 37 GLY CA . 25942 1 282 . 1 1 45 45 GLY N N 15 106.687 . . . . . . A 37 GLY N . 25942 1 283 . 1 1 46 46 LEU H H 1 7.844 . . . . . . A 38 LEU H . 25942 1 284 . 1 1 46 46 LEU HA H 1 4.183 . . . . . . A 38 LEU HA . 25942 1 285 . 1 1 46 46 LEU HB2 H 1 1.857 . . . . . . A 38 LEU HB2 . 25942 1 286 . 1 1 46 46 LEU HG H 1 1.632 . . . . . . A 38 LEU HG . 25942 1 287 . 1 1 46 46 LEU HD11 H 1 0.858 . . . . . . A 38 LEU HD11 . 25942 1 288 . 1 1 46 46 LEU HD12 H 1 0.858 . . . . . . A 38 LEU HD12 . 25942 1 289 . 1 1 46 46 LEU HD13 H 1 0.858 . . . . . . A 38 LEU HD13 . 25942 1 290 . 1 1 46 46 LEU CA C 13 57.571 . . . . . . A 38 LEU CA . 25942 1 291 . 1 1 46 46 LEU CB C 13 42.741 . . . . . . A 38 LEU CB . 25942 1 292 . 1 1 46 46 LEU N N 15 121.071 . . . . . . A 38 LEU N . 25942 1 293 . 1 1 47 47 THR H H 1 7.892 . . . . . . A 39 THR H . 25942 1 294 . 1 1 47 47 THR HA H 1 4.272 . . . . . . A 39 THR HA . 25942 1 295 . 1 1 47 47 THR HB H 1 4.006 . . . . . . A 39 THR HB . 25942 1 296 . 1 1 47 47 THR HG21 H 1 1.220 . . . . . . A 39 THR HG1 . 25942 1 297 . 1 1 47 47 THR HG22 H 1 1.220 . . . . . . A 39 THR HG1 . 25942 1 298 . 1 1 47 47 THR HG23 H 1 1.220 . . . . . . A 39 THR HG1 . 25942 1 299 . 1 1 47 47 THR CA C 13 64.657 . . . . . . A 39 THR CA . 25942 1 300 . 1 1 47 47 THR CB C 13 69.276 . . . . . . A 39 THR CB . 25942 1 301 . 1 1 47 47 THR N N 15 108.195 . . . . . . A 39 THR N . 25942 1 302 . 1 1 48 48 GLU H H 1 7.795 . . . . . . A 40 GLU H . 25942 1 303 . 1 1 48 48 GLU HA H 1 4.174 . . . . . . A 40 GLU HA . 25942 1 304 . 1 1 48 48 GLU HB2 H 1 2.122 . . . . . . A 40 GLU HB2 . 25942 1 305 . 1 1 48 48 GLU HG3 H 1 2.520 . . . . . . A 40 GLU HG3 . 25942 1 306 . 1 1 48 48 GLU CA C 13 57.983 . . . . . . A 40 GLU CA . 25942 1 307 . 1 1 48 48 GLU CB C 13 28.276 . . . . . . A 40 GLU CB . 25942 1 308 . 1 1 48 48 GLU N N 15 120.435 . . . . . . A 40 GLU N . 25942 1 309 . 1 1 49 49 GLY H H 1 8.121 . . . . . . A 41 GLY H . 25942 1 310 . 1 1 49 49 GLY HA2 H 1 4.013 . . . . . . A 41 GLY HA2 . 25942 1 311 . 1 1 49 49 GLY HA3 H 1 3.837 . . . . . . A 41 GLY HA3 . 25942 1 312 . 1 1 49 49 GLY CA C 13 46.026 . . . . . . A 41 GLY CA . 25942 1 313 . 1 1 49 49 GLY N N 15 107.307 . . . . . . A 41 GLY N . 25942 1 314 . 1 1 50 50 LEU H H 1 7.717 . . . . . . A 42 LEU H . 25942 1 315 . 1 1 50 50 LEU HA H 1 4.261 . . . . . . A 42 LEU HA . 25942 1 316 . 1 1 50 50 LEU HB2 H 1 1.725 . . . . . . A 42 LEU HB2 . 25942 1 317 . 1 1 50 50 LEU HG H 1 1.571 . . . . . . A 42 LEU HG . 25942 1 318 . 1 1 50 50 LEU HD11 H 1 0.844 . . . . . . A 42 LEU HD11 . 25942 1 319 . 1 1 50 50 LEU HD12 H 1 0.844 . . . . . . A 42 LEU HD12 . 25942 1 320 . 1 1 50 50 LEU HD13 H 1 0.844 . . . . . . A 42 LEU HD13 . 25942 1 321 . 1 1 50 50 LEU CA C 13 56.017 . . . . . . A 42 LEU CA . 25942 1 322 . 1 1 50 50 LEU CB C 13 42.253 . . . . . . A 42 LEU CB . 25942 1 323 . 1 1 50 50 LEU N N 15 119.854 . . . . . . A 42 LEU N . 25942 1 324 . 1 1 51 51 HIS H H 1 8.140 . . . . . . A 43 HIS H . 25942 1 325 . 1 1 51 51 HIS HA H 1 4.591 . . . . . . A 43 HIS HA . 25942 1 326 . 1 1 51 51 HIS HB2 H 1 3.352 . . . . . . A 43 HIS HB2 . 25942 1 327 . 1 1 51 51 HIS HB3 H 1 3.213 . . . . . . A 43 HIS HB3 . 25942 1 328 . 1 1 51 51 HIS CA C 13 56.677 . . . . . . A 43 HIS CA . 25942 1 329 . 1 1 51 51 HIS CB C 13 28.811 . . . . . . A 43 HIS CB . 25942 1 330 . 1 1 51 51 HIS N N 15 117.040 . . . . . . A 43 HIS N . 25942 1 331 . 1 1 52 52 GLY H H 1 8.386 . . . . . . A 44 GLY H . 25942 1 332 . 1 1 52 52 GLY HA2 H 1 3.805 . . . . . . A 44 GLY HA2 . 25942 1 333 . 1 1 52 52 GLY HA3 H 1 3.865 . . . . . . A 44 GLY HA3 . 25942 1 334 . 1 1 52 52 GLY CA C 13 45.827 . . . . . . A 44 GLY CA . 25942 1 335 . 1 1 52 52 GLY N N 15 108.158 . . . . . . A 44 GLY N . 25942 1 336 . 1 1 53 53 PHE H H 1 7.803 . . . . . . A 45 PHE H . 25942 1 337 . 1 1 53 53 PHE HA H 1 4.493 . . . . . . A 45 PHE HA . 25942 1 338 . 1 1 53 53 PHE HB2 H 1 3.038 . . . . . . A 45 PHE HB2 . 25942 1 339 . 1 1 53 53 PHE HB3 H 1 3.219 . . . . . . A 45 PHE HB3 . 25942 1 340 . 1 1 53 53 PHE CA C 13 58.467 . . . . . . A 45 PHE CA . 25942 1 341 . 1 1 53 53 PHE CB C 13 40.129 . . . . . . A 45 PHE CB . 25942 1 342 . 1 1 53 53 PHE N N 15 119.712 . . . . . . A 45 PHE N . 25942 1 343 . 1 1 54 54 HIS H H 1 8.211 . . . . . . A 46 HIS H . 25942 1 344 . 1 1 54 54 HIS HA H 1 4.749 . . . . . . A 46 HIS HA . 25942 1 345 . 1 1 54 54 HIS HB2 H 1 3.260 . . . . . . A 46 HIS HB2 . 25942 1 346 . 1 1 54 54 HIS HB3 H 1 3.159 . . . . . . A 46 HIS HB3 . 25942 1 347 . 1 1 54 54 HIS CA C 13 55.355 . . . . . . A 46 HIS CA . 25942 1 348 . 1 1 54 54 HIS CB C 13 29.476 . . . . . . A 46 HIS CB . 25942 1 349 . 1 1 54 54 HIS N N 15 119.351 . . . . . . A 46 HIS N . 25942 1 350 . 1 1 55 55 VAL H H 1 8.213 . . . . . . A 47 VAL H . 25942 1 351 . 1 1 55 55 VAL HA H 1 4.068 . . . . . . A 47 VAL HA . 25942 1 352 . 1 1 55 55 VAL HB H 1 2.077 . . . . . . A 47 VAL HB . 25942 1 353 . 1 1 55 55 VAL HG21 H 1 0.929 . . . . . . A 47 VAL HG21 . 25942 1 354 . 1 1 55 55 VAL HG22 H 1 0.929 . . . . . . A 47 VAL HG22 . 25942 1 355 . 1 1 55 55 VAL HG23 H 1 0.929 . . . . . . A 47 VAL HG23 . 25942 1 356 . 1 1 55 55 VAL CA C 13 63.205 . . . . . . A 47 VAL CA . 25942 1 357 . 1 1 55 55 VAL CB C 13 32.835 . . . . . . A 47 VAL CB . 25942 1 358 . 1 1 55 55 VAL N N 15 120.906 . . . . . . A 47 VAL N . 25942 1 359 . 1 1 56 56 HIS H H 1 8.452 . . . . . . A 48 HIS H . 25942 1 360 . 1 1 56 56 HIS HA H 1 4.643 . . . . . . A 48 HIS HA . 25942 1 361 . 1 1 56 56 HIS HB2 H 1 3.180 . . . . . . A 48 HIS HB2 . 25942 1 362 . 1 1 56 56 HIS HB3 H 1 3.094 . . . . . . A 48 HIS HB3 . 25942 1 363 . 1 1 56 56 HIS CA C 13 55.333 . . . . . . A 48 HIS CA . 25942 1 364 . 1 1 56 56 HIS CB C 13 29.179 . . . . . . A 48 HIS CB . 25942 1 365 . 1 1 56 56 HIS N N 15 118.080 . . . . . . A 48 HIS N . 25942 1 366 . 1 1 57 57 GLU H H 1 8.189 . . . . . . A 49 GLU H . 25942 1 367 . 1 1 57 57 GLU HA H 1 4.190 . . . . . . A 49 GLU HA . 25942 1 368 . 1 1 57 57 GLU HB2 H 1 1.871 . . . . . . A 49 GLU HB2 . 25942 1 369 . 1 1 57 57 GLU HB3 H 1 1.825 . . . . . . A 49 GLU HB3 . 25942 1 370 . 1 1 57 57 GLU HG2 H 1 2.031 . . . . . . A 49 GLU HG2 . 25942 1 371 . 1 1 57 57 GLU HG3 H 1 2.174 . . . . . . A 49 GLU HG3 . 25942 1 372 . 1 1 57 57 GLU N N 15 119.350 . . . . . . A 49 GLU N . 25942 1 373 . 1 1 58 58 PHE H H 1 8.066 . . . . . . A 50 PHE H . 25942 1 374 . 1 1 58 58 PHE HA H 1 4.626 . . . . . . A 50 PHE HA . 25942 1 375 . 1 1 58 58 PHE HB2 H 1 3.201 . . . . . . A 50 PHE HB2 . 25942 1 376 . 1 1 58 58 PHE HB3 H 1 2.985 . . . . . . A 50 PHE HB3 . 25942 1 377 . 1 1 58 58 PHE CA C 13 57.964 . . . . . . A 50 PHE CA . 25942 1 378 . 1 1 58 58 PHE CB C 13 39.827 . . . . . . A 50 PHE CB . 25942 1 379 . 1 1 58 58 PHE N N 15 119.187 . . . . . . A 50 PHE N . 25942 1 380 . 1 1 59 59 GLY H H 1 8.251 . . . . . . A 51 GLY H . 25942 1 381 . 1 1 59 59 GLY HA2 H 1 3.936 . . . . . . A 51 GLY HA2 . 25942 1 382 . 1 1 59 59 GLY HA3 H 1 3.982 . . . . . . A 51 GLY HA3 . 25942 1 383 . 1 1 59 59 GLY CA C 13 45.572 . . . . . . A 51 GLY CA . 25942 1 384 . 1 1 59 59 GLY N N 15 109.009 . . . . . . A 51 GLY N . 25942 1 385 . 1 1 60 60 ASP H H 1 8.063 . . . . . . A 52 ASP H . 25942 1 386 . 1 1 60 60 ASP HA H 1 4.638 . . . . . . A 52 ASP HA . 25942 1 387 . 1 1 60 60 ASP HB3 H 1 2.804 . . . . . . A 52 ASP HB3 . 25942 1 388 . 1 1 60 60 ASP CA C 13 53.645 . . . . . . A 52 ASP CA . 25942 1 389 . 1 1 60 60 ASP CB C 13 38.972 . . . . . . A 52 ASP CB . 25942 1 390 . 1 1 60 60 ASP N N 15 118.573 . . . . . . A 52 ASP N . 25942 1 391 . 1 1 61 61 ASN H H 1 8.606 . . . . . . A 53 ASN H . 25942 1 392 . 1 1 61 61 ASN HA H 1 4.736 . . . . . . A 53 ASN HA . 25942 1 393 . 1 1 61 61 ASN HB2 H 1 2.743 . . . . . . A 53 ASN HB2 . 25942 1 394 . 1 1 61 61 ASN HB3 H 1 2.827 . . . . . . A 53 ASN HB3 . 25942 1 395 . 1 1 61 61 ASN HD21 H 1 7.548 . . . . . . A 53 ASN HD21 . 25942 1 396 . 1 1 61 61 ASN HD22 H 1 6.818 . . . . . . A 53 ASN HD22 . 25942 1 397 . 1 1 61 61 ASN CA C 13 53.733 . . . . . . A 53 ASN CA . 25942 1 398 . 1 1 61 61 ASN CB C 13 39.053 . . . . . . A 53 ASN CB . 25942 1 399 . 1 1 61 61 ASN N N 15 114.829 . . . . . . A 53 ASN N . 25942 1 400 . 1 1 61 61 ASN ND2 N 15 112.315 . . . . . . A 53 ASN ND2 . 25942 1 401 . 1 1 62 62 THR H H 1 8.059 . . . . . . A 54 THR H . 25942 1 402 . 1 1 62 62 THR HA H 1 4.274 . . . . . . A 54 THR HA . 25942 1 403 . 1 1 62 62 THR HG21 H 1 1.159 . . . . . . A 54 THR HG1 . 25942 1 404 . 1 1 62 62 THR HG22 H 1 1.159 . . . . . . A 54 THR HG1 . 25942 1 405 . 1 1 62 62 THR HG23 H 1 1.159 . . . . . . A 54 THR HG1 . 25942 1 406 . 1 1 62 62 THR CA C 13 62.420 . . . . . . A 54 THR CA . 25942 1 407 . 1 1 62 62 THR CB C 13 69.880 . . . . . . A 54 THR CB . 25942 1 408 . 1 1 62 62 THR N N 15 113.974 . . . . . . A 54 THR N . 25942 1 409 . 1 1 63 63 ALA H H 1 8.180 . . . . . . A 55 ALA H . 25942 1 410 . 1 1 63 63 ALA HA H 1 4.297 . . . . . . A 55 ALA HA . 25942 1 411 . 1 1 63 63 ALA HB1 H 1 1.374 . . . . . . A 55 ALA HB1 . 25942 1 412 . 1 1 63 63 ALA HB2 H 1 1.374 . . . . . . A 55 ALA HB2 . 25942 1 413 . 1 1 63 63 ALA HB3 H 1 1.374 . . . . . . A 55 ALA HB3 . 25942 1 414 . 1 1 63 63 ALA CA C 13 52.822 . . . . . . A 55 ALA CA . 25942 1 415 . 1 1 63 63 ALA CB C 13 19.677 . . . . . . A 55 ALA CB . 25942 1 416 . 1 1 63 63 ALA N N 15 125.803 . . . . . . A 55 ALA N . 25942 1 417 . 1 1 64 64 GLY H H 1 8.055 . . . . . . A 56 GLY H . 25942 1 418 . 1 1 64 64 GLY HA3 H 1 4.047 . . . . . . A 56 GLY HA3 . 25942 1 419 . 1 1 64 64 GLY CA C 13 44.877 . . . . . . A 56 GLY CA . 25942 1 420 . 1 1 64 64 GLY N N 15 107.810 . . . . . . A 56 GLY N . 25942 1 421 . 1 1 65 65 CYS H H 1 8.134 . . . . . . A 57 CYS H . 25942 1 422 . 1 1 65 65 CYS HA H 1 4.583 . . . . . . A 57 CYS HA . 25942 1 423 . 1 1 65 65 CYS HB2 H 1 2.935 . . . . . . A 57 CYS HB2 . 25942 1 424 . 1 1 65 65 CYS HB3 H 1 2.818 . . . . . . A 57 CYS HB3 . 25942 1 425 . 1 1 65 65 CYS CA C 13 58.892 . . . . . . A 57 CYS CA . 25942 1 426 . 1 1 65 65 CYS CB C 13 28.240 . . . . . . A 57 CYS CB . 25942 1 427 . 1 1 65 65 CYS N N 15 118.620 . . . . . . A 57 CYS N . 25942 1 428 . 1 1 66 66 THR H H 1 8.210 . . . . . . A 58 THR H . 25942 1 429 . 1 1 66 66 THR HA H 1 4.395 . . . . . . A 58 THR HA . 25942 1 430 . 1 1 66 66 THR HB H 1 4.260 . . . . . . A 58 THR HB . 25942 1 431 . 1 1 66 66 THR HG21 H 1 1.184 . . . . . . A 58 THR HG1 . 25942 1 432 . 1 1 66 66 THR HG22 H 1 1.184 . . . . . . A 58 THR HG1 . 25942 1 433 . 1 1 66 66 THR HG23 H 1 1.184 . . . . . . A 58 THR HG1 . 25942 1 434 . 1 1 66 66 THR CA C 13 62.254 . . . . . . A 58 THR CA . 25942 1 435 . 1 1 66 66 THR CB C 13 70.017 . . . . . . A 58 THR CB . 25942 1 436 . 1 1 66 66 THR N N 15 116.115 . . . . . . A 58 THR N . 25942 1 437 . 1 1 67 67 SER H H 1 8.184 . . . . . . A 59 SER H . 25942 1 438 . 1 1 67 67 SER HA H 1 4.446 . . . . . . A 59 SER HA . 25942 1 439 . 1 1 67 67 SER HB3 H 1 3.857 . . . . . . A 59 SER HB3 . 25942 1 440 . 1 1 67 67 SER CA C 13 58.673 . . . . . . A 59 SER CA . 25942 1 441 . 1 1 67 67 SER CB C 13 64.173 . . . . . . A 59 SER CB . 25942 1 442 . 1 1 67 67 SER N N 15 117.847 . . . . . . A 59 SER N . 25942 1 443 . 1 1 68 68 ALA H H 1 8.230 . . . . . . A 60 ALA H . 25942 1 444 . 1 1 68 68 ALA HA H 1 4.361 . . . . . . A 60 ALA HA . 25942 1 445 . 1 1 68 68 ALA HB1 H 1 1.380 . . . . . . A 60 ALA HB1 . 25942 1 446 . 1 1 68 68 ALA HB2 H 1 1.380 . . . . . . A 60 ALA HB2 . 25942 1 447 . 1 1 68 68 ALA HB3 H 1 1.380 . . . . . . A 60 ALA HB3 . 25942 1 448 . 1 1 68 68 ALA CA C 13 52.806 . . . . . . A 60 ALA CA . 25942 1 449 . 1 1 68 68 ALA CB C 13 19.730 . . . . . . A 60 ALA CB . 25942 1 450 . 1 1 68 68 ALA N N 15 125.768 . . . . . . A 60 ALA N . 25942 1 451 . 1 1 69 69 GLY H H 1 7.968 . . . . . . A 61 GLY H . 25942 1 452 . 1 1 69 69 GLY HA3 H 1 3.712 . . . . . . A 61 GLY HA3 . 25942 1 453 . 1 1 69 69 GLY CA C 13 45.697 . . . . . . A 61 GLY CA . 25942 1 454 . 1 1 69 69 GLY N N 15 107.118 . . . . . . A 61 GLY N . 25942 1 455 . 1 1 70 70 PRO CA C 13 62.674 . . . . . . A 62 PRO CA . 25942 1 456 . 1 1 70 70 PRO CB C 13 34.800 . . . . . . A 62 PRO CB . 25942 1 457 . 1 1 71 71 HIS H H 1 8.667 . . . . . . A 63 HIS H . 25942 1 458 . 1 1 71 71 HIS HA H 1 4.760 . . . . . . A 63 HIS HA . 25942 1 459 . 1 1 71 71 HIS HB2 H 1 3.194 . . . . . . A 63 HIS HB2 . 25942 1 460 . 1 1 71 71 HIS HB3 H 1 3.106 . . . . . . A 63 HIS HB3 . 25942 1 461 . 1 1 71 71 HIS CA C 13 55.139 . . . . . . A 63 HIS CA . 25942 1 462 . 1 1 71 71 HIS CB C 13 29.307 . . . . . . A 63 HIS CB . 25942 1 463 . 1 1 71 71 HIS N N 15 118.920 . . . . . . A 63 HIS N . 25942 1 464 . 1 1 72 72 PHE H H 1 8.353 . . . . . . A 64 PHE H . 25942 1 465 . 1 1 72 72 PHE HA H 1 4.597 . . . . . . A 64 PHE HA . 25942 1 466 . 1 1 72 72 PHE HB3 H 1 3.006 . . . . . . A 64 PHE HB3 . 25942 1 467 . 1 1 72 72 PHE CA C 13 57.720 . . . . . . A 64 PHE CA . 25942 1 468 . 1 1 72 72 PHE CB C 13 40.252 . . . . . . A 64 PHE CB . 25942 1 469 . 1 1 72 72 PHE N N 15 121.737 . . . . . . A 64 PHE N . 25942 1 470 . 1 1 73 73 ASN H H 1 8.328 . . . . . . A 65 ASN H . 25942 1 471 . 1 1 73 73 ASN HA H 1 4.884 . . . . . . A 65 ASN HA . 25942 1 472 . 1 1 73 73 ASN HB2 H 1 2.653 . . . . . . A 65 ASN HB2 . 25942 1 473 . 1 1 73 73 ASN HB3 H 1 2.850 . . . . . . A 65 ASN HB3 . 25942 1 474 . 1 1 73 73 ASN HD21 H 1 7.552 . . . . . . A 65 ASN HD21 . 25942 1 475 . 1 1 73 73 ASN HD22 H 1 6.758 . . . . . . A 65 ASN HD22 . 25942 1 476 . 1 1 73 73 ASN CA C 13 50.784 . . . . . . A 65 ASN CA . 25942 1 477 . 1 1 73 73 ASN CB C 13 39.422 . . . . . . A 65 ASN CB . 25942 1 478 . 1 1 73 73 ASN N N 15 122.216 . . . . . . A 65 ASN N . 25942 1 479 . 1 1 73 73 ASN ND2 N 15 111.701 . . . . . . A 65 ASN ND2 . 25942 1 480 . 1 1 74 74 PRO CA C 13 63.910 . . . . . . A 66 PRO CA . 25942 1 481 . 1 1 74 74 PRO CB C 13 32.314 . . . . . . A 66 PRO CB . 25942 1 482 . 1 1 75 75 LEU H H 1 8.004 . . . . . . A 67 LEU H . 25942 1 483 . 1 1 75 75 LEU HA H 1 4.275 . . . . . . A 67 LEU HA . 25942 1 484 . 1 1 75 75 LEU HB2 H 1 1.680 . . . . . . A 67 LEU HB2 . 25942 1 485 . 1 1 75 75 LEU HG H 1 1.602 . . . . . . A 67 LEU HG . 25942 1 486 . 1 1 75 75 LEU HD11 H 1 0.846 . . . . . . A 67 LEU HD11 . 25942 1 487 . 1 1 75 75 LEU HD12 H 1 0.846 . . . . . . A 67 LEU HD12 . 25942 1 488 . 1 1 75 75 LEU HD13 H 1 0.846 . . . . . . A 67 LEU HD13 . 25942 1 489 . 1 1 75 75 LEU HD21 H 1 0.905 . . . . . . A 67 LEU HD21 . 25942 1 490 . 1 1 75 75 LEU HD22 H 1 0.905 . . . . . . A 67 LEU HD22 . 25942 1 491 . 1 1 75 75 LEU HD23 H 1 0.905 . . . . . . A 67 LEU HD23 . 25942 1 492 . 1 1 75 75 LEU CA C 13 55.668 . . . . . . A 67 LEU CA . 25942 1 493 . 1 1 75 75 LEU CB C 13 41.989 . . . . . . A 67 LEU CB . 25942 1 494 . 1 1 75 75 LEU N N 15 119.243 . . . . . . A 67 LEU N . 25942 1 495 . 1 1 76 76 SER H H 1 7.804 . . . . . . A 68 SER H . 25942 1 496 . 1 1 76 76 SER HA H 1 4.332 . . . . . . A 68 SER HA . 25942 1 497 . 1 1 76 76 SER HB3 H 1 3.838 . . . . . . A 68 SER HB3 . 25942 1 498 . 1 1 76 76 SER CA C 13 58.869 . . . . . . A 68 SER CA . 25942 1 499 . 1 1 76 76 SER CB C 13 64.050 . . . . . . A 68 SER CB . 25942 1 500 . 1 1 76 76 SER N N 15 115.127 . . . . . . A 68 SER N . 25942 1 501 . 1 1 77 77 ARG H H 1 8.059 . . . . . . A 69 ARG H . 25942 1 502 . 1 1 77 77 ARG HA H 1 4.327 . . . . . . A 69 ARG HA . 25942 1 503 . 1 1 77 77 ARG HB2 H 1 1.850 . . . . . . A 69 ARG HB2 . 25942 1 504 . 1 1 77 77 ARG HB3 H 1 1.716 . . . . . . A 69 ARG HB3 . 25942 1 505 . 1 1 77 77 ARG HG3 H 1 1.611 . . . . . . A 69 ARG HG3 . 25942 1 506 . 1 1 77 77 ARG HD2 H 1 3.165 . . . . . . A 69 ARG HD2 . 25942 1 507 . 1 1 77 77 ARG HD3 H 1 3.163 . . . . . . A 69 ARG HD3 . 25942 1 508 . 1 1 77 77 ARG HE H 1 7.198 . . . . . . A 69 ARG HE . 25942 1 509 . 1 1 77 77 ARG HH11 H 1 6.660 . . . . . . A 69 ARG HH11 . 25942 1 510 . 1 1 77 77 ARG HH21 H 1 6.705 . . . . . . A 69 ARG HH21 . 25942 1 511 . 1 1 77 77 ARG CA C 13 56.239 . . . . . . A 69 ARG CA . 25942 1 512 . 1 1 77 77 ARG CB C 13 30.955 . . . . . . A 69 ARG CB . 25942 1 513 . 1 1 77 77 ARG N N 15 122.396 . . . . . . A 69 ARG N . 25942 1 514 . 1 1 77 77 ARG NE N 15 126.857 . . . . . . A 69 ARG NE . 25942 1 515 . 1 1 78 78 LYS H H 1 8.111 . . . . . . A 70 LYS H . 25942 1 516 . 1 1 78 78 LYS HA H 1 4.247 . . . . . . A 70 LYS HA . 25942 1 517 . 1 1 78 78 LYS HB2 H 1 1.656 . . . . . . A 70 LYS HB2 . 25942 1 518 . 1 1 78 78 LYS HB3 H 1 1.732 . . . . . . A 70 LYS HB3 . 25942 1 519 . 1 1 78 78 LYS HG2 H 1 1.377 . . . . . . A 70 LYS HG2 . 25942 1 520 . 1 1 78 78 LYS CA C 13 56.534 . . . . . . A 70 LYS CA . 25942 1 521 . 1 1 78 78 LYS CB C 13 33.221 . . . . . . A 70 LYS CB . 25942 1 522 . 1 1 78 78 LYS N N 15 121.729 . . . . . . A 70 LYS N . 25942 1 523 . 1 1 79 79 HIS H H 1 8.426 . . . . . . A 71 HIS H . 25942 1 524 . 1 1 79 79 HIS HA H 1 4.724 . . . . . . A 71 HIS HA . 25942 1 525 . 1 1 79 79 HIS HB2 H 1 3.272 . . . . . . A 71 HIS HB2 . 25942 1 526 . 1 1 79 79 HIS HB3 H 1 3.167 . . . . . . A 71 HIS HB3 . 25942 1 527 . 1 1 79 79 HIS CA C 13 55.335 . . . . . . A 71 HIS CA . 25942 1 528 . 1 1 79 79 HIS CB C 13 29.465 . . . . . . A 71 HIS CB . 25942 1 529 . 1 1 79 79 HIS N N 15 119.491 . . . . . . A 71 HIS N . 25942 1 530 . 1 1 80 80 GLY H H 1 8.399 . . . . . . A 72 GLY H . 25942 1 531 . 1 1 80 80 GLY HA3 H 1 4.013 . . . . . . A 72 GLY HA3 . 25942 1 532 . 1 1 80 80 GLY CA C 13 45.276 . . . . . . A 72 GLY CA . 25942 1 533 . 1 1 80 80 GLY N N 15 110.487 . . . . . . A 72 GLY N . 25942 1 534 . 1 1 81 81 GLY H H 1 8.185 . . . . . . A 73 GLY H . 25942 1 535 . 1 1 81 81 GLY HA2 H 1 4.041 . . . . . . A 73 GLY HA2 . 25942 1 536 . 1 1 81 81 GLY HA3 H 1 4.165 . . . . . . A 73 GLY HA3 . 25942 1 537 . 1 1 81 81 GLY CA C 13 44.888 . . . . . . A 73 GLY CA . 25942 1 538 . 1 1 81 81 GLY N N 15 108.908 . . . . . . A 73 GLY N . 25942 1 539 . 1 1 82 82 PRO CA C 13 63.610 . . . . . . A 74 PRO CA . 25942 1 540 . 1 1 82 82 PRO CB C 13 32.388 . . . . . . A 74 PRO CB . 25942 1 541 . 1 1 83 83 LYS H H 1 8.357 . . . . . . A 75 LYS H . 25942 1 542 . 1 1 83 83 LYS HA H 1 4.252 . . . . . . A 75 LYS HA . 25942 1 543 . 1 1 83 83 LYS HB3 H 1 1.823 . . . . . . A 75 LYS HB3 . 25942 1 544 . 1 1 83 83 LYS HG2 H 1 1.421 . . . . . . A 75 LYS HG2 . 25942 1 545 . 1 1 83 83 LYS HD2 H 1 1.747 . . . . . . A 75 LYS HD2 . 25942 1 546 . 1 1 83 83 LYS CA C 13 56.917 . . . . . . A 75 LYS CA . 25942 1 547 . 1 1 83 83 LYS CB C 13 32.806 . . . . . . A 75 LYS CB . 25942 1 548 . 1 1 83 83 LYS N N 15 120.476 . . . . . . A 75 LYS N . 25942 1 549 . 1 1 84 84 ASP H H 1 8.175 . . . . . . A 76 ASP H . 25942 1 550 . 1 1 84 84 ASP HA H 1 4.572 . . . . . . A 76 ASP HA . 25942 1 551 . 1 1 84 84 ASP HB2 H 1 2.696 . . . . . . A 76 ASP HB2 . 25942 1 552 . 1 1 84 84 ASP HB3 H 1 2.781 . . . . . . A 76 ASP HB3 . 25942 1 553 . 1 1 84 84 ASP CA C 13 53.947 . . . . . . A 76 ASP CA . 25942 1 554 . 1 1 84 84 ASP CB C 13 39.625 . . . . . . A 76 ASP CB . 25942 1 555 . 1 1 84 84 ASP N N 15 120.089 . . . . . . A 76 ASP N . 25942 1 556 . 1 1 85 85 GLU H H 1 8.295 . . . . . . A 77 GLU H . 25942 1 557 . 1 1 85 85 GLU HA H 1 4.326 . . . . . . A 77 GLU HA . 25942 1 558 . 1 1 85 85 GLU HB2 H 1 2.085 . . . . . . A 77 GLU HB2 . 25942 1 559 . 1 1 85 85 GLU HB3 H 1 1.906 . . . . . . A 77 GLU HB3 . 25942 1 560 . 1 1 85 85 GLU HG3 H 1 2.363 . . . . . . A 77 GLU HG3 . 25942 1 561 . 1 1 85 85 GLU CA C 13 56.226 . . . . . . A 77 GLU CA . 25942 1 562 . 1 1 85 85 GLU CB C 13 28.973 . . . . . . A 77 GLU CB . 25942 1 563 . 1 1 85 85 GLU N N 15 120.948 . . . . . . A 77 GLU N . 25942 1 564 . 1 1 86 86 GLU H H 1 8.279 . . . . . . A 78 GLU H . 25942 1 565 . 1 1 86 86 GLU HA H 1 4.337 . . . . . . A 78 GLU HA . 25942 1 566 . 1 1 86 86 GLU HB2 H 1 1.997 . . . . . . A 78 GLU HB2 . 25942 1 567 . 1 1 86 86 GLU HB3 H 1 2.102 . . . . . . A 78 GLU HB3 . 25942 1 568 . 1 1 86 86 GLU HG3 H 1 2.423 . . . . . . A 78 GLU HG3 . 25942 1 569 . 1 1 86 86 GLU CA C 13 56.486 . . . . . . A 78 GLU CA . 25942 1 570 . 1 1 86 86 GLU CB C 13 28.953 . . . . . . A 78 GLU CB . 25942 1 571 . 1 1 86 86 GLU N N 15 120.434 . . . . . . A 78 GLU N . 25942 1 572 . 1 1 87 87 ARG H H 1 8.138 . . . . . . A 79 ARG H . 25942 1 573 . 1 1 87 87 ARG HA H 1 4.258 . . . . . . A 79 ARG HA . 25942 1 574 . 1 1 87 87 ARG HB2 H 1 1.723 . . . . . . A 79 ARG HB2 . 25942 1 575 . 1 1 87 87 ARG HG3 H 1 1.568 . . . . . . A 79 ARG HG3 . 25942 1 576 . 1 1 87 87 ARG HD2 H 1 3.152 . . . . . . A 79 ARG HD2 . 25942 1 577 . 1 1 87 87 ARG HD3 H 1 3.149 . . . . . . A 79 ARG HD3 . 25942 1 578 . 1 1 87 87 ARG HE H 1 7.233 . . . . . . A 79 ARG HE . 25942 1 579 . 1 1 87 87 ARG HH11 H 1 6.676 . . . . . . A 79 ARG HH11 . 25942 1 580 . 1 1 87 87 ARG HH21 H 1 6.741 . . . . . . A 79 ARG HH21 . 25942 1 581 . 1 1 87 87 ARG CA C 13 56.322 . . . . . . A 79 ARG CA . 25942 1 582 . 1 1 87 87 ARG CB C 13 31.076 . . . . . . A 79 ARG CB . 25942 1 583 . 1 1 87 87 ARG N N 15 121.214 . . . . . . A 79 ARG N . 25942 1 584 . 1 1 87 87 ARG NE N 15 126.811 . . . . . . A 79 ARG NE . 25942 1 585 . 1 1 88 88 HIS H H 1 8.478 . . . . . . A 80 HIS H . 25942 1 586 . 1 1 88 88 HIS HA H 1 4.740 . . . . . . A 80 HIS HA . 25942 1 587 . 1 1 88 88 HIS HB2 H 1 3.264 . . . . . . A 80 HIS HB2 . 25942 1 588 . 1 1 88 88 HIS HB3 H 1 3.157 . . . . . . A 80 HIS HB3 . 25942 1 589 . 1 1 88 88 HIS CA C 13 55.578 . . . . . . A 80 HIS CA . 25942 1 590 . 1 1 88 88 HIS CB C 13 29.341 . . . . . . A 80 HIS CB . 25942 1 591 . 1 1 88 88 HIS N N 15 119.522 . . . . . . A 80 HIS N . 25942 1 592 . 1 1 89 89 VAL H H 1 8.209 . . . . . . A 81 VAL H . 25942 1 593 . 1 1 89 89 VAL HA H 1 4.054 . . . . . . A 81 VAL HA . 25942 1 594 . 1 1 89 89 VAL HB H 1 2.073 . . . . . . A 81 VAL HB . 25942 1 595 . 1 1 89 89 VAL HG21 H 1 0.925 . . . . . . A 81 VAL HG21 . 25942 1 596 . 1 1 89 89 VAL HG22 H 1 0.925 . . . . . . A 81 VAL HG22 . 25942 1 597 . 1 1 89 89 VAL HG23 H 1 0.925 . . . . . . A 81 VAL HG23 . 25942 1 598 . 1 1 89 89 VAL CA C 13 63.132 . . . . . . A 81 VAL CA . 25942 1 599 . 1 1 89 89 VAL CB C 13 32.762 . . . . . . A 81 VAL CB . 25942 1 600 . 1 1 89 89 VAL N N 15 119.368 . . . . . . A 81 VAL N . 25942 1 601 . 1 1 90 90 GLY H H 1 8.389 . . . . . . A 82 GLY H . 25942 1 602 . 1 1 90 90 GLY HA3 H 1 3.926 . . . . . . A 82 GLY HA3 . 25942 1 603 . 1 1 90 90 GLY CA C 13 45.726 . . . . . . A 82 GLY CA . 25942 1 604 . 1 1 90 90 GLY N N 15 111.108 . . . . . . A 82 GLY N . 25942 1 605 . 1 1 91 91 ASP H H 1 8.269 . . . . . . A 83 ASP H . 25942 1 606 . 1 1 91 91 ASP HA H 1 4.715 . . . . . . A 83 ASP HA . 25942 1 607 . 1 1 91 91 ASP HB3 H 1 2.803 . . . . . . A 83 ASP HB3 . 25942 1 608 . 1 1 91 91 ASP CA C 13 53.480 . . . . . . A 83 ASP CA . 25942 1 609 . 1 1 91 91 ASP CB C 13 39.407 . . . . . . A 83 ASP CB . 25942 1 610 . 1 1 91 91 ASP N N 15 118.799 . . . . . . A 83 ASP N . 25942 1 611 . 1 1 92 92 LEU H H 1 8.242 . . . . . . A 84 LEU H . 25942 1 612 . 1 1 92 92 LEU HA H 1 4.275 . . . . . . A 84 LEU HA . 25942 1 613 . 1 1 92 92 LEU HB2 H 1 1.688 . . . . . . A 84 LEU HB2 . 25942 1 614 . 1 1 92 92 LEU HG H 1 1.610 . . . . . . A 84 LEU HG . 25942 1 615 . 1 1 92 92 LEU HD11 H 1 0.842 . . . . . . A 84 LEU HD11 . 25942 1 616 . 1 1 92 92 LEU HD12 H 1 0.842 . . . . . . A 84 LEU HD12 . 25942 1 617 . 1 1 92 92 LEU HD13 H 1 0.842 . . . . . . A 84 LEU HD13 . 25942 1 618 . 1 1 92 92 LEU HD21 H 1 0.903 . . . . . . A 84 LEU HD21 . 25942 1 619 . 1 1 92 92 LEU HD22 H 1 0.903 . . . . . . A 84 LEU HD22 . 25942 1 620 . 1 1 92 92 LEU HD23 H 1 0.903 . . . . . . A 84 LEU HD23 . 25942 1 621 . 1 1 92 92 LEU CA C 13 56.163 . . . . . . A 84 LEU CA . 25942 1 622 . 1 1 92 92 LEU CB C 13 42.404 . . . . . . A 84 LEU CB . 25942 1 623 . 1 1 92 92 LEU N N 15 121.654 . . . . . . A 84 LEU N . 25942 1 624 . 1 1 93 93 GLY H H 1 8.227 . . . . . . A 85 GLY H . 25942 1 625 . 1 1 93 93 GLY HA3 H 1 3.949 . . . . . . A 85 GLY HA3 . 25942 1 626 . 1 1 93 93 GLY CA C 13 45.956 . . . . . . A 85 GLY CA . 25942 1 627 . 1 1 93 93 GLY N N 15 107.639 . . . . . . A 85 GLY N . 25942 1 628 . 1 1 94 94 ASN H H 1 8.209 . . . . . . A 86 ASN H . 25942 1 629 . 1 1 94 94 ASN HA H 1 4.635 . . . . . . A 86 ASN HA . 25942 1 630 . 1 1 94 94 ASN HB2 H 1 2.828 . . . . . . A 86 ASN HB2 . 25942 1 631 . 1 1 94 94 ASN HB3 H 1 2.727 . . . . . . A 86 ASN HB3 . 25942 1 632 . 1 1 94 94 ASN HD21 H 1 6.850 . . . . . . A 86 ASN HD21 . 25942 1 633 . 1 1 94 94 ASN HD22 H 1 7.503 . . . . . . A 86 ASN HD22 . 25942 1 634 . 1 1 94 94 ASN CA C 13 53.478 . . . . . . A 86 ASN CA . 25942 1 635 . 1 1 94 94 ASN CB C 13 39.228 . . . . . . A 86 ASN CB . 25942 1 636 . 1 1 94 94 ASN N N 15 119.004 . . . . . . A 86 ASN N . 25942 1 637 . 1 1 94 94 ASN ND2 N 15 112.415 . . . . . . A 86 ASN ND2 . 25942 1 638 . 1 1 95 95 VAL H H 1 7.983 . . . . . . A 87 VAL H . 25942 1 639 . 1 1 95 95 VAL HA H 1 4.111 . . . . . . A 87 VAL HA . 25942 1 640 . 1 1 95 95 VAL HB H 1 2.158 . . . . . . A 87 VAL HB . 25942 1 641 . 1 1 95 95 VAL HG21 H 1 0.940 . . . . . . A 87 VAL HG21 . 25942 1 642 . 1 1 95 95 VAL HG22 H 1 0.940 . . . . . . A 87 VAL HG22 . 25942 1 643 . 1 1 95 95 VAL HG23 H 1 0.940 . . . . . . A 87 VAL HG23 . 25942 1 644 . 1 1 95 95 VAL CA C 13 63.635 . . . . . . A 87 VAL CA . 25942 1 645 . 1 1 95 95 VAL CB C 13 32.591 . . . . . . A 87 VAL CB . 25942 1 646 . 1 1 95 95 VAL N N 15 119.635 . . . . . . A 87 VAL N . 25942 1 647 . 1 1 96 96 THR H H 1 8.003 . . . . . . A 88 THR H . 25942 1 648 . 1 1 96 96 THR HA H 1 4.238 . . . . . . A 88 THR HA . 25942 1 649 . 1 1 96 96 THR HG21 H 1 1.180 . . . . . . A 88 THR HG1 . 25942 1 650 . 1 1 96 96 THR HG22 H 1 1.180 . . . . . . A 88 THR HG1 . 25942 1 651 . 1 1 96 96 THR HG23 H 1 1.180 . . . . . . A 88 THR HG1 . 25942 1 652 . 1 1 96 96 THR CA C 13 63.217 . . . . . . A 88 THR CA . 25942 1 653 . 1 1 96 96 THR CB C 13 69.607 . . . . . . A 88 THR CB . 25942 1 654 . 1 1 96 96 THR N N 15 115.459 . . . . . . A 88 THR N . 25942 1 655 . 1 1 97 97 ALA H H 1 8.043 . . . . . . A 89 ALA H . 25942 1 656 . 1 1 97 97 ALA HA H 1 4.273 . . . . . . A 89 ALA HA . 25942 1 657 . 1 1 97 97 ALA HB1 H 1 1.381 . . . . . . A 89 ALA HB1 . 25942 1 658 . 1 1 97 97 ALA HB2 H 1 1.381 . . . . . . A 89 ALA HB2 . 25942 1 659 . 1 1 97 97 ALA HB3 H 1 1.381 . . . . . . A 89 ALA HB3 . 25942 1 660 . 1 1 97 97 ALA CA C 13 53.253 . . . . . . A 89 ALA CA . 25942 1 661 . 1 1 97 97 ALA CB C 13 19.299 . . . . . . A 89 ALA CB . 25942 1 662 . 1 1 97 97 ALA N N 15 125.081 . . . . . . A 89 ALA N . 25942 1 663 . 1 1 98 98 ASP H H 1 8.179 . . . . . . A 90 ASP H . 25942 1 664 . 1 1 98 98 ASP HA H 1 4.619 . . . . . . A 90 ASP HA . 25942 1 665 . 1 1 98 98 ASP HB3 H 1 2.809 . . . . . . A 90 ASP HB3 . 25942 1 666 . 1 1 98 98 ASP CA C 13 53.570 . . . . . . A 90 ASP CA . 25942 1 667 . 1 1 98 98 ASP CB C 13 38.694 . . . . . . A 90 ASP CB . 25942 1 668 . 1 1 98 98 ASP N N 15 117.518 . . . . . . A 90 ASP N . 25942 1 669 . 1 1 99 99 LYS H H 1 8.157 . . . . . . A 91 LYS H . 25942 1 670 . 1 1 99 99 LYS HA H 1 4.228 . . . . . . A 91 LYS HA . 25942 1 671 . 1 1 99 99 LYS HB3 H 1 1.820 . . . . . . A 91 LYS HB3 . 25942 1 672 . 1 1 99 99 LYS HG2 H 1 1.414 . . . . . . A 91 LYS HG2 . 25942 1 673 . 1 1 99 99 LYS HE2 H 1 2.940 . . . . . . A 91 LYS HE2 . 25942 1 674 . 1 1 99 99 LYS CA C 13 57.634 . . . . . . A 91 LYS CA . 25942 1 675 . 1 1 99 99 LYS CB C 13 32.822 . . . . . . A 91 LYS CB . 25942 1 676 . 1 1 99 99 LYS N N 15 120.972 . . . . . . A 91 LYS N . 25942 1 677 . 1 1 100 100 ASP H H 1 8.279 . . . . . . A 92 ASP H . 25942 1 678 . 1 1 100 100 ASP HA H 1 4.702 . . . . . . A 92 ASP HA . 25942 1 679 . 1 1 100 100 ASP HB2 H 1 2.882 . . . . . . A 92 ASP HB2 . 25942 1 680 . 1 1 100 100 ASP HB3 H 1 2.817 . . . . . . A 92 ASP HB3 . 25942 1 681 . 1 1 100 100 ASP CA C 13 53.654 . . . . . . A 92 ASP CA . 25942 1 682 . 1 1 100 100 ASP CB C 13 39.016 . . . . . . A 92 ASP CB . 25942 1 683 . 1 1 100 100 ASP N N 15 118.478 . . . . . . A 92 ASP N . 25942 1 684 . 1 1 101 101 GLY H H 1 8.139 . . . . . . A 93 GLY H . 25942 1 685 . 1 1 101 101 GLY HA3 H 1 3.951 . . . . . . A 93 GLY HA3 . 25942 1 686 . 1 1 101 101 GLY CA C 13 46.167 . . . . . . A 93 GLY CA . 25942 1 687 . 1 1 101 101 GLY N N 15 108.203 . . . . . . A 93 GLY N . 25942 1 688 . 1 1 102 102 VAL H H 1 7.859 . . . . . . A 94 VAL H . 25942 1 689 . 1 1 102 102 VAL HA H 1 4.057 . . . . . . A 94 VAL HA . 25942 1 690 . 1 1 102 102 VAL HB H 1 2.110 . . . . . . A 94 VAL HB . 25942 1 691 . 1 1 102 102 VAL HG21 H 1 0.929 . . . . . . A 94 VAL HG21 . 25942 1 692 . 1 1 102 102 VAL HG22 H 1 0.929 . . . . . . A 94 VAL HG22 . 25942 1 693 . 1 1 102 102 VAL HG23 H 1 0.929 . . . . . . A 94 VAL HG23 . 25942 1 694 . 1 1 102 102 VAL CA C 13 63.057 . . . . . . A 94 VAL CA . 25942 1 695 . 1 1 102 102 VAL CB C 13 32.715 . . . . . . A 94 VAL CB . 25942 1 696 . 1 1 102 102 VAL N N 15 118.536 . . . . . . A 94 VAL N . 25942 1 697 . 1 1 103 103 ALA H H 1 8.196 . . . . . . A 95 ALA H . 25942 1 698 . 1 1 103 103 ALA HA H 1 4.309 . . . . . . A 95 ALA HA . 25942 1 699 . 1 1 103 103 ALA HB1 H 1 1.385 . . . . . . A 95 ALA HB1 . 25942 1 700 . 1 1 103 103 ALA HB2 H 1 1.385 . . . . . . A 95 ALA HB2 . 25942 1 701 . 1 1 103 103 ALA HB3 H 1 1.385 . . . . . . A 95 ALA HB3 . 25942 1 702 . 1 1 103 103 ALA CA C 13 53.109 . . . . . . A 95 ALA CA . 25942 1 703 . 1 1 103 103 ALA CB C 13 19.476 . . . . . . A 95 ALA CB . 25942 1 704 . 1 1 103 103 ALA N N 15 125.166 . . . . . . A 95 ALA N . 25942 1 705 . 1 1 104 104 ASP H H 1 8.245 . . . . . . A 96 ASP H . 25942 1 706 . 1 1 104 104 ASP HA H 1 4.593 . . . . . . A 96 ASP HA . 25942 1 707 . 1 1 104 104 ASP HB3 H 1 2.817 . . . . . . A 96 ASP HB3 . 25942 1 708 . 1 1 104 104 ASP CA C 13 54.431 . . . . . . A 96 ASP CA . 25942 1 709 . 1 1 104 104 ASP CB C 13 38.460 . . . . . . A 96 ASP CB . 25942 1 710 . 1 1 104 104 ASP N N 15 117.621 . . . . . . A 96 ASP N . 25942 1 711 . 1 1 105 105 VAL H H 1 7.930 . . . . . . A 97 VAL H . 25942 1 712 . 1 1 105 105 VAL HA H 1 4.052 . . . . . . A 97 VAL HA . 25942 1 713 . 1 1 105 105 VAL HB H 1 2.094 . . . . . . A 97 VAL HB . 25942 1 714 . 1 1 105 105 VAL HG21 H 1 0.928 . . . . . . A 97 VAL HG21 . 25942 1 715 . 1 1 105 105 VAL HG22 H 1 0.928 . . . . . . A 97 VAL HG22 . 25942 1 716 . 1 1 105 105 VAL HG23 H 1 0.928 . . . . . . A 97 VAL HG23 . 25942 1 717 . 1 1 105 105 VAL CA C 13 63.665 . . . . . . A 97 VAL CA . 25942 1 718 . 1 1 105 105 VAL CB C 13 32.769 . . . . . . A 97 VAL CB . 25942 1 719 . 1 1 105 105 VAL N N 15 119.278 . . . . . . A 97 VAL N . 25942 1 720 . 1 1 106 106 SER H H 1 8.150 . . . . . . A 98 SER H . 25942 1 721 . 1 1 106 106 SER HA H 1 4.555 . . . . . . A 98 SER HA . 25942 1 722 . 1 1 106 106 SER HB2 H 1 4.002 . . . . . . A 98 SER HB2 . 25942 1 723 . 1 1 106 106 SER HB3 H 1 3.889 . . . . . . A 98 SER HB3 . 25942 1 724 . 1 1 106 106 SER CA C 13 59.409 . . . . . . A 98 SER CA . 25942 1 725 . 1 1 106 106 SER CB C 13 63.880 . . . . . . A 98 SER CB . 25942 1 726 . 1 1 106 106 SER N N 15 118.013 . . . . . . A 98 SER N . 25942 1 727 . 1 1 107 107 ILE H H 1 8.491 . . . . . . A 99 ILE H . 25942 1 728 . 1 1 107 107 ILE HA H 1 3.911 . . . . . . A 99 ILE HA . 25942 1 729 . 1 1 107 107 ILE HB H 1 1.957 . . . . . . A 99 ILE HB . 25942 1 730 . 1 1 107 107 ILE HG13 H 1 1.207 . . . . . . A 99 ILE HG13 . 25942 1 731 . 1 1 107 107 ILE HD11 H 1 0.893 . . . . . . A 99 ILE HD11 . 25942 1 732 . 1 1 107 107 ILE HD12 H 1 0.893 . . . . . . A 99 ILE HD12 . 25942 1 733 . 1 1 107 107 ILE HD13 H 1 0.893 . . . . . . A 99 ILE HD13 . 25942 1 734 . 1 1 107 107 ILE CA C 13 64.324 . . . . . . A 99 ILE CA . 25942 1 735 . 1 1 107 107 ILE CB C 13 38.186 . . . . . . A 99 ILE CB . 25942 1 736 . 1 1 107 107 ILE N N 15 124.033 . . . . . . A 99 ILE N . 25942 1 737 . 1 1 108 108 GLU H H 1 8.461 . . . . . . A 100 GLU H . 25942 1 738 . 1 1 108 108 GLU HA H 1 4.193 . . . . . . A 100 GLU HA . 25942 1 739 . 1 1 108 108 GLU HB2 H 1 2.045 . . . . . . A 100 GLU HB2 . 25942 1 740 . 1 1 108 108 GLU HG3 H 1 2.397 . . . . . . A 100 GLU HG3 . 25942 1 741 . 1 1 108 108 GLU CA C 13 59.558 . . . . . . A 100 GLU CA . 25942 1 742 . 1 1 108 108 GLU CB C 13 28.408 . . . . . . A 100 GLU CB . 25942 1 743 . 1 1 108 108 GLU N N 15 120.010 . . . . . . A 100 GLU N . 25942 1 744 . 1 1 109 109 ASP H H 1 8.299 . . . . . . A 101 ASP H . 25942 1 745 . 1 1 109 109 ASP HA H 1 4.475 . . . . . . A 101 ASP HA . 25942 1 746 . 1 1 109 109 ASP HB3 H 1 2.900 . . . . . . A 101 ASP HB3 . 25942 1 747 . 1 1 109 109 ASP CA C 13 55.806 . . . . . . A 101 ASP CA . 25942 1 748 . 1 1 109 109 ASP CB C 13 37.959 . . . . . . A 101 ASP CB . 25942 1 749 . 1 1 109 109 ASP N N 15 116.738 . . . . . . A 101 ASP N . 25942 1 750 . 1 1 110 110 SER H H 1 7.996 . . . . . . A 102 SER H . 25942 1 751 . 1 1 110 110 SER HA H 1 4.326 . . . . . . A 102 SER HA . 25942 1 752 . 1 1 110 110 SER HB2 H 1 3.829 . . . . . . A 102 SER HB2 . 25942 1 753 . 1 1 110 110 SER HB3 H 1 4.031 . . . . . . A 102 SER HB3 . 25942 1 754 . 1 1 110 110 SER CA C 13 62.145 . . . . . . A 102 SER CA . 25942 1 755 . 1 1 110 110 SER CB C 13 63.514 . . . . . . A 102 SER CB . 25942 1 756 . 1 1 110 110 SER N N 15 116.719 . . . . . . A 102 SER N . 25942 1 757 . 1 1 111 111 VAL H H 1 8.004 . . . . . . A 103 VAL H . 25942 1 758 . 1 1 111 111 VAL HA H 1 3.919 . . . . . . A 103 VAL HA . 25942 1 759 . 1 1 111 111 VAL HB H 1 2.194 . . . . . . A 103 VAL HB . 25942 1 760 . 1 1 111 111 VAL HG11 H 1 1.003 . . . . . . A 103 VAL HG11 . 25942 1 761 . 1 1 111 111 VAL HG12 H 1 1.003 . . . . . . A 103 VAL HG12 . 25942 1 762 . 1 1 111 111 VAL HG13 H 1 1.003 . . . . . . A 103 VAL HG13 . 25942 1 763 . 1 1 111 111 VAL HG21 H 1 0.900 . . . . . . A 103 VAL HG21 . 25942 1 764 . 1 1 111 111 VAL HG22 H 1 0.900 . . . . . . A 103 VAL HG22 . 25942 1 765 . 1 1 111 111 VAL HG23 H 1 0.900 . . . . . . A 103 VAL HG23 . 25942 1 766 . 1 1 111 111 VAL CA C 13 65.982 . . . . . . A 103 VAL CA . 25942 1 767 . 1 1 111 111 VAL CB C 13 32.248 . . . . . . A 103 VAL CB . 25942 1 768 . 1 1 111 111 VAL N N 15 120.299 . . . . . . A 103 VAL N . 25942 1 769 . 1 1 112 112 ILE H H 1 7.986 . . . . . . A 104 ILE H . 25942 1 770 . 1 1 112 112 ILE HA H 1 4.250 . . . . . . A 104 ILE HA . 25942 1 771 . 1 1 112 112 ILE HB H 1 1.908 . . . . . . A 104 ILE HB . 25942 1 772 . 1 1 112 112 ILE HG12 H 1 1.799 . . . . . . A 104 ILE HG13 . 25942 1 773 . 1 1 112 112 ILE HG13 H 1 1.441 . . . . . . A 104 ILE HG13 . 25942 1 774 . 1 1 112 112 ILE HG21 H 1 1.239 . . . . . . A 104 ILE HG21 . 25942 1 775 . 1 1 112 112 ILE HG22 H 1 1.239 . . . . . . A 104 ILE HG22 . 25942 1 776 . 1 1 112 112 ILE HG23 H 1 1.239 . . . . . . A 104 ILE HG23 . 25942 1 777 . 1 1 112 112 ILE HD11 H 1 0.862 . . . . . . A 104 ILE HD11 . 25942 1 778 . 1 1 112 112 ILE HD12 H 1 0.862 . . . . . . A 104 ILE HD12 . 25942 1 779 . 1 1 112 112 ILE HD13 H 1 0.862 . . . . . . A 104 ILE HD13 . 25942 1 780 . 1 1 112 112 ILE CA C 13 63.961 . . . . . . A 104 ILE CA . 25942 1 781 . 1 1 112 112 ILE CB C 13 38.444 . . . . . . A 104 ILE CB . 25942 1 782 . 1 1 112 112 ILE N N 15 119.637 . . . . . . A 104 ILE N . 25942 1 783 . 1 1 113 113 SER H H 1 7.991 . . . . . . A 105 SER H . 25942 1 784 . 1 1 113 113 SER HA H 1 4.338 . . . . . . A 105 SER HA . 25942 1 785 . 1 1 113 113 SER HB3 H 1 3.967 . . . . . . A 105 SER HB3 . 25942 1 786 . 1 1 113 113 SER CA C 13 60.792 . . . . . . A 105 SER CA . 25942 1 787 . 1 1 113 113 SER CB C 13 63.648 . . . . . . A 105 SER CB . 25942 1 788 . 1 1 113 113 SER N N 15 116.578 . . . . . . A 105 SER N . 25942 1 789 . 1 1 114 114 LEU H H 1 8.064 . . . . . . A 106 LEU H . 25942 1 790 . 1 1 114 114 LEU HA H 1 4.333 . . . . . . A 106 LEU HA . 25942 1 791 . 1 1 114 114 LEU HB2 H 1 1.843 . . . . . . A 106 LEU HB2 . 25942 1 792 . 1 1 114 114 LEU HG H 1 1.635 . . . . . . A 106 LEU HG . 25942 1 793 . 1 1 114 114 LEU HD11 H 1 0.886 . . . . . . A 106 LEU HD11 . 25942 1 794 . 1 1 114 114 LEU HD12 H 1 0.886 . . . . . . A 106 LEU HD12 . 25942 1 795 . 1 1 114 114 LEU HD13 H 1 0.886 . . . . . . A 106 LEU HD13 . 25942 1 796 . 1 1 114 114 LEU CA C 13 56.456 . . . . . . A 106 LEU CA . 25942 1 797 . 1 1 114 114 LEU CB C 13 42.491 . . . . . . A 106 LEU CB . 25942 1 798 . 1 1 114 114 LEU N N 15 121.973 . . . . . . A 106 LEU N . 25942 1 799 . 1 1 115 115 SER H H 1 7.993 . . . . . . A 107 SER H . 25942 1 800 . 1 1 115 115 SER HA H 1 4.260 . . . . . . A 107 SER HA . 25942 1 801 . 1 1 115 115 SER HB2 H 1 3.953 . . . . . . A 107 SER HB2 . 25942 1 802 . 1 1 115 115 SER HB3 H 1 3.877 . . . . . . A 107 SER HB3 . 25942 1 803 . 1 1 115 115 SER CA C 13 60.550 . . . . . . A 107 SER CA . 25942 1 804 . 1 1 115 115 SER CB C 13 64.082 . . . . . . A 107 SER CB . 25942 1 805 . 1 1 115 115 SER N N 15 113.080 . . . . . . A 107 SER N . 25942 1 806 . 1 1 116 116 GLY H H 1 8.076 . . . . . . A 108 GLY H . 25942 1 807 . 1 1 116 116 GLY HA2 H 1 4.021 . . . . . . A 108 GLY HA2 . 25942 1 808 . 1 1 116 116 GLY HA3 H 1 3.715 . . . . . . A 108 GLY HA3 . 25942 1 809 . 1 1 116 116 GLY CA C 13 46.201 . . . . . . A 108 GLY CA . 25942 1 810 . 1 1 116 116 GLY N N 15 108.665 . . . . . . A 108 GLY N . 25942 1 811 . 1 1 117 117 ASP H H 1 8.149 . . . . . . A 109 ASP H . 25942 1 812 . 1 1 117 117 ASP HA H 1 4.727 . . . . . . A 109 ASP HA . 25942 1 813 . 1 1 117 117 ASP HB2 H 1 2.734 . . . . . . A 109 ASP HB2 . 25942 1 814 . 1 1 117 117 ASP HB3 H 1 2.828 . . . . . . A 109 ASP HB3 . 25942 1 815 . 1 1 117 117 ASP CA C 13 53.610 . . . . . . A 109 ASP CA . 25942 1 816 . 1 1 117 117 ASP CB C 13 38.530 . . . . . . A 109 ASP CB . 25942 1 817 . 1 1 117 117 ASP N N 15 118.539 . . . . . . A 109 ASP N . 25942 1 818 . 1 1 118 118 HIS H H 1 8.313 . . . . . . A 110 HIS H . 25942 1 819 . 1 1 118 118 HIS HA H 1 4.645 . . . . . . A 110 HIS HA . 25942 1 820 . 1 1 118 118 HIS HB2 H 1 3.206 . . . . . . A 110 HIS HB2 . 25942 1 821 . 1 1 118 118 HIS HB3 H 1 3.328 . . . . . . A 110 HIS HB3 . 25942 1 822 . 1 1 118 118 HIS CA C 13 56.234 . . . . . . A 110 HIS CA . 25942 1 823 . 1 1 118 118 HIS CB C 13 28.791 . . . . . . A 110 HIS CB . 25942 1 824 . 1 1 118 118 HIS N N 15 117.426 . . . . . . A 110 HIS N . 25942 1 825 . 1 1 119 119 CYS H H 1 8.323 . . . . . . A 111 CYS H . 25942 1 826 . 1 1 119 119 CYS HA H 1 4.494 . . . . . . A 111 CYS HA . 25942 1 827 . 1 1 119 119 CYS HB3 H 1 2.969 . . . . . . A 111 CYS HB3 . 25942 1 828 . 1 1 119 119 CYS CA C 13 59.895 . . . . . . A 111 CYS CA . 25942 1 829 . 1 1 119 119 CYS CB C 13 27.733 . . . . . . A 111 CYS CB . 25942 1 830 . 1 1 119 119 CYS N N 15 118.531 . . . . . . A 111 CYS N . 25942 1 831 . 1 1 120 120 ILE H H 1 8.262 . . . . . . A 112 ILE H . 25942 1 832 . 1 1 120 120 ILE HA H 1 4.260 . . . . . . A 112 ILE HA . 25942 1 833 . 1 1 120 120 ILE HB H 1 1.962 . . . . . . A 112 ILE HB . 25942 1 834 . 1 1 120 120 ILE HG13 H 1 1.498 . . . . . . A 112 ILE HG13 . 25942 1 835 . 1 1 120 120 ILE HG21 H 1 1.236 . . . . . . A 112 ILE HG21 . 25942 1 836 . 1 1 120 120 ILE HG22 H 1 1.236 . . . . . . A 112 ILE HG22 . 25942 1 837 . 1 1 120 120 ILE HG23 H 1 1.236 . . . . . . A 112 ILE HG23 . 25942 1 838 . 1 1 120 120 ILE HD11 H 1 0.905 . . . . . . A 112 ILE HD11 . 25942 1 839 . 1 1 120 120 ILE HD12 H 1 0.905 . . . . . . A 112 ILE HD12 . 25942 1 840 . 1 1 120 120 ILE HD13 H 1 0.905 . . . . . . A 112 ILE HD13 . 25942 1 841 . 1 1 120 120 ILE CA C 13 63.080 . . . . . . A 112 ILE CA . 25942 1 842 . 1 1 120 120 ILE CB C 13 39.145 . . . . . . A 112 ILE CB . 25942 1 843 . 1 1 120 120 ILE N N 15 121.659 . . . . . . A 112 ILE N . 25942 1 844 . 1 1 121 121 ILE H H 1 8.035 . . . . . . A 113 ILE H . 25942 1 845 . 1 1 121 121 ILE HA H 1 4.272 . . . . . . A 113 ILE HA . 25942 1 846 . 1 1 121 121 ILE HB H 1 1.685 . . . . . . A 113 ILE HB . 25942 1 847 . 1 1 121 121 ILE HG13 H 1 1.594 . . . . . . A 113 ILE HG13 . 25942 1 848 . 1 1 121 121 ILE HD11 H 1 0.889 . . . . . . A 113 ILE HD11 . 25942 1 849 . 1 1 121 121 ILE HD12 H 1 0.889 . . . . . . A 113 ILE HD12 . 25942 1 850 . 1 1 121 121 ILE HD13 H 1 0.889 . . . . . . A 113 ILE HD13 . 25942 1 851 . 1 1 121 121 ILE CA C 13 63.124 . . . . . . A 113 ILE CA . 25942 1 852 . 1 1 121 121 ILE CB C 13 38.950 . . . . . . A 113 ILE CB . 25942 1 853 . 1 1 121 121 ILE N N 15 121.470 . . . . . . A 113 ILE N . 25942 1 854 . 1 1 122 122 GLY H H 1 8.272 . . . . . . A 114 GLY H . 25942 1 855 . 1 1 122 122 GLY HA2 H 1 3.962 . . . . . . A 114 GLY HA2 . 25942 1 856 . 1 1 122 122 GLY HA3 H 1 3.834 . . . . . . A 114 GLY HA3 . 25942 1 857 . 1 1 122 122 GLY CA C 13 46.707 . . . . . . A 114 GLY CA . 25942 1 858 . 1 1 122 122 GLY N N 15 109.354 . . . . . . A 114 GLY N . 25942 1 859 . 1 1 123 123 ARG H H 1 8.067 . . . . . . A 115 ARG H . 25942 1 860 . 1 1 123 123 ARG HA H 1 4.219 . . . . . . A 115 ARG HA . 25942 1 861 . 1 1 123 123 ARG HB2 H 1 1.887 . . . . . . A 115 ARG HB2 . 25942 1 862 . 1 1 123 123 ARG HG3 H 1 1.681 . . . . . . A 115 ARG HG3 . 25942 1 863 . 1 1 123 123 ARG HD2 H 1 3.181 . . . . . . A 115 ARG HD2 . 25942 1 864 . 1 1 123 123 ARG HE H 1 7.359 . . . . . . A 115 ARG HE . 25942 1 865 . 1 1 123 123 ARG HH12 H 1 6.756 . . . . . . A 115 ARG HH12 . 25942 1 866 . 1 1 123 123 ARG HH21 H 1 6.756 . . . . . . A 115 ARG HH21 . 25942 1 867 . 1 1 123 123 ARG CA C 13 58.168 . . . . . . A 115 ARG CA . 25942 1 868 . 1 1 123 123 ARG CB C 13 30.771 . . . . . . A 115 ARG CB . 25942 1 869 . 1 1 123 123 ARG N N 15 119.411 . . . . . . A 115 ARG N . 25942 1 870 . 1 1 123 123 ARG NE N 15 126.648 . . . . . . A 115 ARG NE . 25942 1 871 . 1 1 124 124 THR H H 1 7.967 . . . . . . A 116 THR H . 25942 1 872 . 1 1 124 124 THR HA H 1 4.305 . . . . . . A 116 THR HA . 25942 1 873 . 1 1 124 124 THR HB H 1 4.225 . . . . . . A 116 THR HB . 25942 1 874 . 1 1 124 124 THR HG21 H 1 1.186 . . . . . . A 116 THR HG1 . 25942 1 875 . 1 1 124 124 THR HG22 H 1 1.186 . . . . . . A 116 THR HG1 . 25942 1 876 . 1 1 124 124 THR HG23 H 1 1.186 . . . . . . A 116 THR HG1 . 25942 1 877 . 1 1 124 124 THR CA C 13 63.696 . . . . . . A 116 THR CA . 25942 1 878 . 1 1 124 124 THR CB C 13 69.290 . . . . . . A 116 THR CB . 25942 1 879 . 1 1 124 124 THR N N 15 113.652 . . . . . . A 116 THR N . 25942 1 880 . 1 1 125 125 LEU H H 1 8.012 . . . . . . A 117 LEU H . 25942 1 881 . 1 1 125 125 LEU HA H 1 4.295 . . . . . . A 117 LEU HA . 25942 1 882 . 1 1 125 125 LEU HB2 H 1 1.717 . . . . . . A 117 LEU HB2 . 25942 1 883 . 1 1 125 125 LEU HG H 1 1.605 . . . . . . A 117 LEU HG . 25942 1 884 . 1 1 125 125 LEU HD11 H 1 0.876 . . . . . . A 117 LEU HD11 . 25942 1 885 . 1 1 125 125 LEU HD12 H 1 0.876 . . . . . . A 117 LEU HD12 . 25942 1 886 . 1 1 125 125 LEU HD13 H 1 0.876 . . . . . . A 117 LEU HD13 . 25942 1 887 . 1 1 125 125 LEU CA C 13 57.340 . . . . . . A 117 LEU CA . 25942 1 888 . 1 1 125 125 LEU CB C 13 42.470 . . . . . . A 117 LEU CB . 25942 1 889 . 1 1 125 125 LEU N N 15 122.537 . . . . . . A 117 LEU N . 25942 1 890 . 1 1 126 126 VAL H H 1 7.798 . . . . . . A 118 VAL H . 25942 1 891 . 1 1 126 126 VAL HA H 1 3.947 . . . . . . A 118 VAL HA . 25942 1 892 . 1 1 126 126 VAL HB H 1 2.121 . . . . . . A 118 VAL HB . 25942 1 893 . 1 1 126 126 VAL HG11 H 1 0.877 . . . . . . A 118 VAL HG11 . 25942 1 894 . 1 1 126 126 VAL HG12 H 1 0.877 . . . . . . A 118 VAL HG12 . 25942 1 895 . 1 1 126 126 VAL HG13 H 1 0.877 . . . . . . A 118 VAL HG13 . 25942 1 896 . 1 1 126 126 VAL HG21 H 1 0.958 . . . . . . A 118 VAL HG21 . 25942 1 897 . 1 1 126 126 VAL HG22 H 1 0.958 . . . . . . A 118 VAL HG22 . 25942 1 898 . 1 1 126 126 VAL HG23 H 1 0.958 . . . . . . A 118 VAL HG23 . 25942 1 899 . 1 1 126 126 VAL CA C 13 64.736 . . . . . . A 118 VAL CA . 25942 1 900 . 1 1 126 126 VAL CB C 13 32.395 . . . . . . A 118 VAL CB . 25942 1 901 . 1 1 126 126 VAL N N 15 118.309 . . . . . . A 118 VAL N . 25942 1 902 . 1 1 127 127 VAL H H 1 7.964 . . . . . . A 119 VAL H . 25942 1 903 . 1 1 127 127 VAL HA H 1 3.966 . . . . . . A 119 VAL HA . 25942 1 904 . 1 1 127 127 VAL HB H 1 2.129 . . . . . . A 119 VAL HB . 25942 1 905 . 1 1 127 127 VAL HG21 H 1 0.955 . . . . . . A 119 VAL HG21 . 25942 1 906 . 1 1 127 127 VAL HG22 H 1 0.955 . . . . . . A 119 VAL HG22 . 25942 1 907 . 1 1 127 127 VAL HG23 H 1 0.955 . . . . . . A 119 VAL HG23 . 25942 1 908 . 1 1 127 127 VAL CA C 13 64.380 . . . . . . A 119 VAL CA . 25942 1 909 . 1 1 127 127 VAL CB C 13 32.410 . . . . . . A 119 VAL CB . 25942 1 910 . 1 1 127 127 VAL N N 15 118.602 . . . . . . A 119 VAL N . 25942 1 911 . 1 1 128 128 HIS H H 1 8.458 . . . . . . A 120 HIS H . 25942 1 912 . 1 1 128 128 HIS HA H 1 4.599 . . . . . . A 120 HIS HA . 25942 1 913 . 1 1 128 128 HIS HB2 H 1 3.141 . . . . . . A 120 HIS HB2 . 25942 1 914 . 1 1 128 128 HIS HB3 H 1 3.222 . . . . . . A 120 HIS HB3 . 25942 1 915 . 1 1 128 128 HIS CA C 13 56.118 . . . . . . A 120 HIS CA . 25942 1 916 . 1 1 128 128 HIS CB C 13 29.049 . . . . . . A 120 HIS CB . 25942 1 917 . 1 1 128 128 HIS N N 15 120.013 . . . . . . A 120 HIS N . 25942 1 918 . 1 1 129 129 GLU H H 1 8.198 . . . . . . A 121 GLU H . 25942 1 919 . 1 1 129 129 GLU HA H 1 4.315 . . . . . . A 121 GLU HA . 25942 1 920 . 1 1 129 129 GLU HB2 H 1 2.100 . . . . . . A 121 GLU HB2 . 25942 1 921 . 1 1 129 129 GLU HB3 H 1 1.929 . . . . . . A 121 GLU HB3 . 25942 1 922 . 1 1 129 129 GLU HG3 H 1 2.368 . . . . . . A 121 GLU HG3 . 25942 1 923 . 1 1 129 129 GLU CA C 13 56.331 . . . . . . A 121 GLU CA . 25942 1 924 . 1 1 129 129 GLU CB C 13 29.176 . . . . . . A 121 GLU CB . 25942 1 925 . 1 1 129 129 GLU N N 15 120.530 . . . . . . A 121 GLU N . 25942 1 926 . 1 1 130 130 LYS HB3 H 1 1.814 . . . . . . A 122 LYS HB3 . 25942 1 927 . 1 1 130 130 LYS CA C 13 56.472 . . . . . . A 122 LYS CA . 25942 1 928 . 1 1 130 130 LYS CB C 13 32.762 . . . . . . A 122 LYS CB . 25942 1 929 . 1 1 131 131 ALA H H 1 8.098 . . . . . . A 123 ALA H . 25942 1 930 . 1 1 131 131 ALA HA H 1 4.237 . . . . . . A 123 ALA HA . 25942 1 931 . 1 1 131 131 ALA HB1 H 1 1.382 . . . . . . A 123 ALA HB1 . 25942 1 932 . 1 1 131 131 ALA HB2 H 1 1.382 . . . . . . A 123 ALA HB2 . 25942 1 933 . 1 1 131 131 ALA HB3 H 1 1.382 . . . . . . A 123 ALA HB3 . 25942 1 934 . 1 1 131 131 ALA CA C 13 53.525 . . . . . . A 123 ALA CA . 25942 1 935 . 1 1 131 131 ALA CB C 13 19.169 . . . . . . A 123 ALA CB . 25942 1 936 . 1 1 131 131 ALA N N 15 123.382 . . . . . . A 123 ALA N . 25942 1 937 . 1 1 132 132 ASP H H 1 8.138 . . . . . . A 124 ASP H . 25942 1 938 . 1 1 132 132 ASP HA H 1 4.577 . . . . . . A 124 ASP HA . 25942 1 939 . 1 1 132 132 ASP HB2 H 1 2.755 . . . . . . A 124 ASP HB2 . 25942 1 940 . 1 1 132 132 ASP HB3 H 1 2.693 . . . . . . A 124 ASP HB3 . 25942 1 941 . 1 1 132 132 ASP CA C 13 53.752 . . . . . . A 124 ASP CA . 25942 1 942 . 1 1 132 132 ASP CB C 13 38.736 . . . . . . A 124 ASP CB . 25942 1 943 . 1 1 132 132 ASP N N 15 116.914 . . . . . . A 124 ASP N . 25942 1 944 . 1 1 133 133 ASP HA H 1 4.637 . . . . . . A 125 ASP HA . 25942 1 945 . 1 1 133 133 ASP HB2 H 1 2.835 . . . . . . A 125 ASP HB2 . 25942 1 946 . 1 1 133 133 ASP HB3 H 1 2.784 . . . . . . A 125 ASP HB3 . 25942 1 947 . 1 1 133 133 ASP CA C 13 53.751 . . . . . . A 125 ASP CA . 25942 1 948 . 1 1 133 133 ASP CB C 13 38.864 . . . . . . A 125 ASP CB . 25942 1 949 . 1 1 134 134 LEU H H 1 7.995 . . . . . . A 126 LEU H . 25942 1 950 . 1 1 134 134 LEU HA H 1 4.276 . . . . . . A 126 LEU HA . 25942 1 951 . 1 1 134 134 LEU HB2 H 1 1.700 . . . . . . A 126 LEU HB2 . 25942 1 952 . 1 1 134 134 LEU HG H 1 1.596 . . . . . . A 126 LEU HG . 25942 1 953 . 1 1 134 134 LEU HD11 H 1 0.877 . . . . . . A 126 LEU HD11 . 25942 1 954 . 1 1 134 134 LEU HD12 H 1 0.877 . . . . . . A 126 LEU HD12 . 25942 1 955 . 1 1 134 134 LEU HD13 H 1 0.877 . . . . . . A 126 LEU HD13 . 25942 1 956 . 1 1 134 134 LEU CA C 13 56.027 . . . . . . A 126 LEU CA . 25942 1 957 . 1 1 134 134 LEU CB C 13 42.463 . . . . . . A 126 LEU CB . 25942 1 958 . 1 1 134 134 LEU N N 15 121.184 . . . . . . A 126 LEU N . 25942 1 959 . 1 1 135 135 GLY H H 1 8.276 . . . . . . A 127 GLY H . 25942 1 960 . 1 1 135 135 GLY HA3 H 1 3.921 . . . . . . A 127 GLY HA3 . 25942 1 961 . 1 1 135 135 GLY CA C 13 45.723 . . . . . . A 127 GLY CA . 25942 1 962 . 1 1 135 135 GLY N N 15 108.377 . . . . . . A 127 GLY N . 25942 1 963 . 1 1 136 136 LYS H H 1 8.031 . . . . . . A 128 LYS H . 25942 1 964 . 1 1 136 136 LYS HA H 1 4.332 . . . . . . A 128 LYS HA . 25942 1 965 . 1 1 136 136 LYS HB2 H 1 1.855 . . . . . . A 128 LYS HB2 . 25942 1 966 . 1 1 136 136 LYS HB3 H 1 1.742 . . . . . . A 128 LYS HB3 . 25942 1 967 . 1 1 136 136 LYS HG2 H 1 1.411 . . . . . . A 128 LYS HG2 . 25942 1 968 . 1 1 136 136 LYS CA C 13 56.648 . . . . . . A 128 LYS CA . 25942 1 969 . 1 1 136 136 LYS CB C 13 33.143 . . . . . . A 128 LYS CB . 25942 1 970 . 1 1 136 136 LYS N N 15 120.480 . . . . . . A 128 LYS N . 25942 1 971 . 1 1 137 137 GLY H H 1 8.369 . . . . . . A 129 GLY H . 25942 1 972 . 1 1 137 137 GLY HA3 H 1 3.955 . . . . . . A 129 GLY HA3 . 25942 1 973 . 1 1 137 137 GLY CA C 13 45.608 . . . . . . A 129 GLY CA . 25942 1 974 . 1 1 137 137 GLY N N 15 109.496 . . . . . . A 129 GLY N . 25942 1 975 . 1 1 138 138 GLY H H 1 8.172 . . . . . . A 130 GLY H . 25942 1 976 . 1 1 138 138 GLY HA3 H 1 3.953 . . . . . . A 130 GLY HA3 . 25942 1 977 . 1 1 138 138 GLY CA C 13 45.618 . . . . . . A 130 GLY CA . 25942 1 978 . 1 1 138 138 GLY N N 15 108.473 . . . . . . A 130 GLY N . 25942 1 979 . 1 1 139 139 ASN H H 1 8.272 . . . . . . A 131 ASN H . 25942 1 980 . 1 1 139 139 ASN HA H 1 4.625 . . . . . . A 131 ASN HA . 25942 1 981 . 1 1 139 139 ASN HB2 H 1 2.880 . . . . . . A 131 ASN HB2 . 25942 1 982 . 1 1 139 139 ASN HB3 H 1 2.785 . . . . . . A 131 ASN HB3 . 25942 1 983 . 1 1 139 139 ASN HD21 H 1 6.820 . . . . . . A 131 ASN HD21 . 25942 1 984 . 1 1 139 139 ASN HD22 H 1 7.503 . . . . . . A 131 ASN HD22 . 25942 1 985 . 1 1 139 139 ASN CA C 13 53.599 . . . . . . A 131 ASN CA . 25942 1 986 . 1 1 139 139 ASN CB C 13 39.156 . . . . . . A 131 ASN CB . 25942 1 987 . 1 1 139 139 ASN N N 15 118.665 . . . . . . A 131 ASN N . 25942 1 988 . 1 1 139 139 ASN ND2 N 15 111.801 . . . . . . A 131 ASN ND2 . 25942 1 989 . 1 1 140 140 GLU H H 1 8.350 . . . . . . A 132 GLU H . 25942 1 990 . 1 1 140 140 GLU HA H 1 4.290 . . . . . . A 132 GLU HA . 25942 1 991 . 1 1 140 140 GLU HB2 H 1 1.976 . . . . . . A 132 GLU HB2 . 25942 1 992 . 1 1 140 140 GLU HB3 H 1 2.114 . . . . . . A 132 GLU HB3 . 25942 1 993 . 1 1 140 140 GLU HG3 H 1 2.411 . . . . . . A 132 GLU HG3 . 25942 1 994 . 1 1 140 140 GLU CA C 13 56.638 . . . . . . A 132 GLU CA . 25942 1 995 . 1 1 140 140 GLU CB C 13 28.884 . . . . . . A 132 GLU CB . 25942 1 996 . 1 1 140 140 GLU N N 15 120.426 . . . . . . A 132 GLU N . 25942 1 997 . 1 1 141 141 GLU H H 1 8.109 . . . . . . A 133 GLU H . 25942 1 998 . 1 1 141 141 GLU HA H 1 4.271 . . . . . . A 133 GLU HA . 25942 1 999 . 1 1 141 141 GLU HB2 H 1 1.754 . . . . . . A 133 GLU HB2 . 25942 1 1000 . 1 1 141 141 GLU HB3 H 1 1.861 . . . . . . A 133 GLU HB3 . 25942 1 1001 . 1 1 141 141 GLU HG3 H 1 2.012 . . . . . . A 133 GLU HG3 . 25942 1 1002 . 1 1 141 141 GLU CA C 13 57.458 . . . . . . A 133 GLU CA . 25942 1 1003 . 1 1 141 141 GLU CB C 13 28.962 . . . . . . A 133 GLU CB . 25942 1 1004 . 1 1 141 141 GLU N N 15 120.132 . . . . . . A 133 GLU N . 25942 1 1005 . 1 1 142 142 SER H H 1 8.211 . . . . . . A 134 SER H . 25942 1 1006 . 1 1 142 142 SER HA H 1 4.468 . . . . . . A 134 SER HA . 25942 1 1007 . 1 1 142 142 SER HB3 H 1 3.880 . . . . . . A 134 SER HB3 . 25942 1 1008 . 1 1 142 142 SER CA C 13 58.970 . . . . . . A 134 SER CA . 25942 1 1009 . 1 1 142 142 SER CB C 13 64.010 . . . . . . A 134 SER CB . 25942 1 1010 . 1 1 142 142 SER N N 15 116.326 . . . . . . A 134 SER N . 25942 1 1011 . 1 1 143 143 THR H H 1 7.993 . . . . . . A 135 THR H . 25942 1 1012 . 1 1 143 143 THR HA H 1 4.235 . . . . . . A 135 THR HA . 25942 1 1013 . 1 1 143 143 THR HB H 1 4.115 . . . . . . A 135 THR HB . 25942 1 1014 . 1 1 143 143 THR HG21 H 1 1.180 . . . . . . A 135 THR HG1 . 25942 1 1015 . 1 1 143 143 THR HG22 H 1 1.180 . . . . . . A 135 THR HG1 . 25942 1 1016 . 1 1 143 143 THR HG23 H 1 1.180 . . . . . . A 135 THR HG1 . 25942 1 1017 . 1 1 143 143 THR CA C 13 62.597 . . . . . . A 135 THR CA . 25942 1 1018 . 1 1 143 143 THR CB C 13 69.912 . . . . . . A 135 THR CB . 25942 1 1019 . 1 1 143 143 THR N N 15 115.092 . . . . . . A 135 THR N . 25942 1 1020 . 1 1 144 144 LYS H H 1 8.224 . . . . . . A 136 LYS H . 25942 1 1021 . 1 1 144 144 LYS HA H 1 4.371 . . . . . . A 136 LYS HA . 25942 1 1022 . 1 1 144 144 LYS HB2 H 1 1.769 . . . . . . A 136 LYS HB2 . 25942 1 1023 . 1 1 144 144 LYS HB3 H 1 1.859 . . . . . . A 136 LYS HB3 . 25942 1 1024 . 1 1 144 144 LYS HG2 H 1 1.425 . . . . . . A 136 LYS HG2 . 25942 1 1025 . 1 1 144 144 LYS HD2 H 1 1.659 . . . . . . A 136 LYS HD2 . 25942 1 1026 . 1 1 144 144 LYS CA C 13 56.923 . . . . . . A 136 LYS CA . 25942 1 1027 . 1 1 144 144 LYS CB C 13 33.110 . . . . . . A 136 LYS CB . 25942 1 1028 . 1 1 144 144 LYS N N 15 123.018 . . . . . . A 136 LYS N . 25942 1 1029 . 1 1 145 145 THR H H 1 7.912 . . . . . . A 137 THR H . 25942 1 1030 . 1 1 145 145 THR HA H 1 4.343 . . . . . . A 137 THR HA . 25942 1 1031 . 1 1 145 145 THR HB H 1 4.251 . . . . . . A 137 THR HB . 25942 1 1032 . 1 1 145 145 THR HG21 H 1 1.186 . . . . . . A 137 THR HG1 . 25942 1 1033 . 1 1 145 145 THR HG22 H 1 1.186 . . . . . . A 137 THR HG1 . 25942 1 1034 . 1 1 145 145 THR HG23 H 1 1.186 . . . . . . A 137 THR HG1 . 25942 1 1035 . 1 1 145 145 THR CA C 13 62.212 . . . . . . A 137 THR CA . 25942 1 1036 . 1 1 145 145 THR CB C 13 70.003 . . . . . . A 137 THR CB . 25942 1 1037 . 1 1 145 145 THR N N 15 113.024 . . . . . . A 137 THR N . 25942 1 1038 . 1 1 146 146 GLY H H 1 8.263 . . . . . . A 138 GLY H . 25942 1 1039 . 1 1 146 146 GLY HA3 H 1 3.959 . . . . . . A 138 GLY HA3 . 25942 1 1040 . 1 1 146 146 GLY CA C 13 45.787 . . . . . . A 138 GLY CA . 25942 1 1041 . 1 1 146 146 GLY N N 15 110.595 . . . . . . A 138 GLY N . 25942 1 1042 . 1 1 147 147 ASN H H 1 8.266 . . . . . . A 139 ASN H . 25942 1 1043 . 1 1 147 147 ASN HA H 1 4.708 . . . . . . A 139 ASN HA . 25942 1 1044 . 1 1 147 147 ASN HB3 H 1 2.801 . . . . . . A 139 ASN HB3 . 25942 1 1045 . 1 1 147 147 ASN HD21 H 1 6.852 . . . . . . A 139 ASN HD21 . 25942 1 1046 . 1 1 147 147 ASN HD22 H 1 7.560 . . . . . . A 139 ASN HD22 . 25942 1 1047 . 1 1 147 147 ASN CA C 13 53.628 . . . . . . A 139 ASN CA . 25942 1 1048 . 1 1 147 147 ASN CB C 13 39.366 . . . . . . A 139 ASN CB . 25942 1 1049 . 1 1 147 147 ASN N N 15 118.792 . . . . . . A 139 ASN N . 25942 1 1050 . 1 1 147 147 ASN ND2 N 15 112.654 . . . . . . A 139 ASN ND2 . 25942 1 1051 . 1 1 148 148 ALA H H 1 8.387 . . . . . . A 140 ALA H . 25942 1 1052 . 1 1 148 148 ALA HA H 1 4.228 . . . . . . A 140 ALA HA . 25942 1 1053 . 1 1 148 148 ALA HB1 H 1 1.409 . . . . . . A 140 ALA HB1 . 25942 1 1054 . 1 1 148 148 ALA HB2 H 1 1.409 . . . . . . A 140 ALA HB2 . 25942 1 1055 . 1 1 148 148 ALA HB3 H 1 1.409 . . . . . . A 140 ALA HB3 . 25942 1 1056 . 1 1 148 148 ALA CA C 13 53.719 . . . . . . A 140 ALA CA . 25942 1 1057 . 1 1 148 148 ALA CB C 13 19.334 . . . . . . A 140 ALA CB . 25942 1 1058 . 1 1 148 148 ALA N N 15 124.208 . . . . . . A 140 ALA N . 25942 1 1059 . 1 1 149 149 GLY H H 1 8.403 . . . . . . A 141 GLY H . 25942 1 1060 . 1 1 149 149 GLY HA3 H 1 3.896 . . . . . . A 141 GLY HA3 . 25942 1 1061 . 1 1 149 149 GLY CA C 13 46.098 . . . . . . A 141 GLY CA . 25942 1 1062 . 1 1 149 149 GLY N N 15 106.851 . . . . . . A 141 GLY N . 25942 1 1063 . 1 1 150 150 SER H H 1 8.052 . . . . . . A 142 SER H . 25942 1 1064 . 1 1 150 150 SER HA H 1 4.400 . . . . . . A 142 SER HA . 25942 1 1065 . 1 1 150 150 SER HB2 H 1 3.849 . . . . . . A 142 SER HB2 . 25942 1 1066 . 1 1 150 150 SER HB3 H 1 3.927 . . . . . . A 142 SER HB3 . 25942 1 1067 . 1 1 150 150 SER CA C 13 59.110 . . . . . . A 142 SER CA . 25942 1 1068 . 1 1 150 150 SER CB C 13 64.052 . . . . . . A 142 SER CB . 25942 1 1069 . 1 1 150 150 SER N N 15 115.496 . . . . . . A 142 SER N . 25942 1 1070 . 1 1 151 151 ARG H H 1 8.441 . . . . . . A 143 ARG H . 25942 1 1071 . 1 1 151 151 ARG HA H 1 4.236 . . . . . . A 143 ARG HA . 25942 1 1072 . 1 1 151 151 ARG HB2 H 1 1.844 . . . . . . A 143 ARG HB2 . 25942 1 1073 . 1 1 151 151 ARG HG2 H 1 1.664 . . . . . . A 143 ARG HG2 . 25942 1 1074 . 1 1 151 151 ARG HG3 H 1 1.707 . . . . . . A 143 ARG HG3 . 25942 1 1075 . 1 1 151 151 ARG HD2 H 1 3.181 . . . . . . A 143 ARG HD2 . 25942 1 1076 . 1 1 151 151 ARG HD3 H 1 3.178 . . . . . . A 143 ARG HD3 . 25942 1 1077 . 1 1 151 151 ARG HE H 1 7.395 . . . . . . A 143 ARG HE . 25942 1 1078 . 1 1 151 151 ARG HH11 H 1 6.798 . . . . . . A 143 ARG HH11 . 25942 1 1079 . 1 1 151 151 ARG HH21 H 1 6.798 . . . . . . A 143 ARG HH21 . 25942 1 1080 . 1 1 151 151 ARG CA C 13 57.767 . . . . . . A 143 ARG CA . 25942 1 1081 . 1 1 151 151 ARG CB C 13 30.750 . . . . . . A 143 ARG CB . 25942 1 1082 . 1 1 151 151 ARG N N 15 123.130 . . . . . . A 143 ARG N . 25942 1 1083 . 1 1 151 151 ARG NE N 15 126.636 . . . . . . A 143 ARG NE . 25942 1 1084 . 1 1 152 152 LEU H H 1 8.161 . . . . . . A 144 LEU H . 25942 1 1085 . 1 1 152 152 LEU HA H 1 4.219 . . . . . . A 144 LEU HA . 25942 1 1086 . 1 1 152 152 LEU HB2 H 1 1.671 . . . . . . A 144 LEU HB2 . 25942 1 1087 . 1 1 152 152 LEU HD11 H 1 0.884 . . . . . . A 144 LEU HD11 . 25942 1 1088 . 1 1 152 152 LEU HD12 H 1 0.884 . . . . . . A 144 LEU HD12 . 25942 1 1089 . 1 1 152 152 LEU HD13 H 1 0.884 . . . . . . A 144 LEU HD13 . 25942 1 1090 . 1 1 152 152 LEU CA C 13 56.368 . . . . . . A 144 LEU CA . 25942 1 1091 . 1 1 152 152 LEU CB C 13 42.516 . . . . . . A 144 LEU CB . 25942 1 1092 . 1 1 152 152 LEU N N 15 120.508 . . . . . . A 144 LEU N . 25942 1 1093 . 1 1 153 153 ALA H H 1 8.069 . . . . . . A 145 ALA H . 25942 1 1094 . 1 1 153 153 ALA HA H 1 4.191 . . . . . . A 145 ALA HA . 25942 1 1095 . 1 1 153 153 ALA HB1 H 1 1.433 . . . . . . A 145 ALA HB1 . 25942 1 1096 . 1 1 153 153 ALA HB2 H 1 1.433 . . . . . . A 145 ALA HB2 . 25942 1 1097 . 1 1 153 153 ALA HB3 H 1 1.433 . . . . . . A 145 ALA HB3 . 25942 1 1098 . 1 1 153 153 ALA CA C 13 53.837 . . . . . . A 145 ALA CA . 25942 1 1099 . 1 1 153 153 ALA CB C 13 19.172 . . . . . . A 145 ALA CB . 25942 1 1100 . 1 1 153 153 ALA N N 15 121.958 . . . . . . A 145 ALA N . 25942 1 1101 . 1 1 154 154 CYS H H 1 8.082 . . . . . . A 146 CYS H . 25942 1 1102 . 1 1 154 154 CYS HA H 1 4.331 . . . . . . A 146 CYS HA . 25942 1 1103 . 1 1 154 154 CYS HB3 H 1 2.966 . . . . . . A 146 CYS HB3 . 25942 1 1104 . 1 1 154 154 CYS CA C 13 60.384 . . . . . . A 146 CYS CA . 25942 1 1105 . 1 1 154 154 CYS CB C 13 27.843 . . . . . . A 146 CYS CB . 25942 1 1106 . 1 1 154 154 CYS N N 15 115.264 . . . . . . A 146 CYS N . 25942 1 1107 . 1 1 155 155 GLY H H 1 8.252 . . . . . . A 147 GLY H . 25942 1 1108 . 1 1 155 155 GLY HA3 H 1 3.934 . . . . . . A 147 GLY HA3 . 25942 1 1109 . 1 1 155 155 GLY CA C 13 46.034 . . . . . . A 147 GLY CA . 25942 1 1110 . 1 1 155 155 GLY N N 15 109.244 . . . . . . A 147 GLY N . 25942 1 1111 . 1 1 156 156 VAL CA C 13 64.211 . . . . . . A 148 VAL CA . 25942 1 1112 . 1 1 156 156 VAL CB C 13 32.521 . . . . . . A 148 VAL CB . 25942 1 1113 . 1 1 157 157 ILE H H 1 7.855 . . . . . . A 149 ILE H . 25942 1 1114 . 1 1 157 157 ILE HA H 1 4.035 . . . . . . A 149 ILE HA . 25942 1 1115 . 1 1 157 157 ILE HB H 1 1.911 . . . . . . A 149 ILE HB . 25942 1 1116 . 1 1 157 157 ILE HG12 H 1 1.558 . . . . . . A 149 ILE HG13 . 25942 1 1117 . 1 1 157 157 ILE HG13 H 1 1.218 . . . . . . A 149 ILE HG13 . 25942 1 1118 . 1 1 157 157 ILE HD11 H 1 0.905 . . . . . . A 149 ILE HD11 . 25942 1 1119 . 1 1 157 157 ILE HD12 H 1 0.905 . . . . . . A 149 ILE HD12 . 25942 1 1120 . 1 1 157 157 ILE HD13 H 1 0.905 . . . . . . A 149 ILE HD13 . 25942 1 1121 . 1 1 157 157 ILE CA C 13 62.543 . . . . . . A 149 ILE CA . 25942 1 1122 . 1 1 157 157 ILE CB C 13 38.707 . . . . . . A 149 ILE CB . 25942 1 1123 . 1 1 157 157 ILE N N 15 119.276 . . . . . . A 149 ILE N . 25942 1 1124 . 1 1 158 158 GLY H H 1 8.038 . . . . . . A 150 GLY H . 25942 1 1125 . 1 1 158 158 GLY HA2 H 1 3.903 . . . . . . A 150 GLY HA2 . 25942 1 1126 . 1 1 158 158 GLY HA3 H 1 3.995 . . . . . . A 150 GLY HA3 . 25942 1 1127 . 1 1 158 158 GLY CA C 13 46.177 . . . . . . A 150 GLY CA . 25942 1 1128 . 1 1 158 158 GLY N N 15 108.750 . . . . . . A 150 GLY N . 25942 1 1129 . 1 1 159 159 ILE H H 1 7.901 . . . . . . A 151 ILE H . 25942 1 1130 . 1 1 159 159 ILE HA H 1 4.029 . . . . . . A 151 ILE HA . 25942 1 1131 . 1 1 159 159 ILE HB H 1 1.923 . . . . . . A 151 ILE HB . 25942 1 1132 . 1 1 159 159 ILE HG13 H 1 1.231 . . . . . . A 151 ILE HG13 . 25942 1 1133 . 1 1 159 159 ILE HD11 H 1 0.927 . . . . . . A 151 ILE HD11 . 25942 1 1134 . 1 1 159 159 ILE HD12 H 1 0.927 . . . . . . A 151 ILE HD12 . 25942 1 1135 . 1 1 159 159 ILE HD13 H 1 0.927 . . . . . . A 151 ILE HD13 . 25942 1 1136 . 1 1 159 159 ILE CA C 13 62.637 . . . . . . A 151 ILE CA . 25942 1 1137 . 1 1 159 159 ILE CB C 13 38.735 . . . . . . A 151 ILE CB . 25942 1 1138 . 1 1 159 159 ILE N N 15 119.333 . . . . . . A 151 ILE N . 25942 1 1139 . 1 1 160 160 ALA H H 1 8.105 . . . . . . A 152 ALA H . 25942 1 1140 . 1 1 160 160 ALA HA H 1 4.194 . . . . . . A 152 ALA HA . 25942 1 1141 . 1 1 160 160 ALA HB1 H 1 1.406 . . . . . . A 152 ALA HB1 . 25942 1 1142 . 1 1 160 160 ALA HB2 H 1 1.406 . . . . . . A 152 ALA HB2 . 25942 1 1143 . 1 1 160 160 ALA HB3 H 1 1.406 . . . . . . A 152 ALA HB3 . 25942 1 1144 . 1 1 160 160 ALA CA C 13 53.547 . . . . . . A 152 ALA CA . 25942 1 1145 . 1 1 160 160 ALA CB C 13 19.272 . . . . . . A 152 ALA CB . 25942 1 1146 . 1 1 160 160 ALA N N 15 122.591 . . . . . . A 152 ALA N . 25942 1 1147 . 1 1 161 161 GLN H H 1 7.736 . . . . . . A 153 GLN H . 25942 1 1148 . 1 1 161 161 GLN HA H 1 4.288 . . . . . . A 153 GLN HA . 25942 1 1149 . 1 1 161 161 GLN HB2 H 1 2.031 . . . . . . A 153 GLN HB2 . 25942 1 1150 . 1 1 161 161 GLN HB3 H 1 2.183 . . . . . . A 153 GLN HB3 . 25942 1 1151 . 1 1 161 161 GLN HG2 H 1 2.359 . . . . . . A 153 GLN HG2 . 25942 1 1152 . 1 1 161 161 GLN HG3 H 1 2.508 . . . . . . A 153 GLN HG3 . 25942 1 1153 . 1 1 161 161 GLN HE21 H 1 6.747 . . . . . . A 153 GLN HE21 . 25942 1 1154 . 1 1 161 161 GLN HE22 H 1 7.488 . . . . . . A 153 GLN HE22 . 25942 1 1155 . 1 1 161 161 GLN CA C 13 56.075 . . . . . . A 153 GLN CA . 25942 1 1156 . 1 1 161 161 GLN CB C 13 29.571 . . . . . . A 153 GLN CB . 25942 1 1157 . 1 1 161 161 GLN N N 15 114.848 . . . . . . A 153 GLN N . 25942 1 1158 . 1 1 161 161 GLN NE2 N 15 111.627 . . . . . . A 153 GLN NE2 . 25942 1 stop_ save_