data_26346 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 26346 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for FOXO3a (141-284) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-07-12 _Entry.Accession_date 2024-07-25 _Entry.Last_release_date 2024-07-25 _Entry.Original_release_date 2024-07-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Shota Enomoto . . . . 26346 2 Shoichi Nakatsuka . . . . 26346 3 Mariko Yokogawa . . . . 26346 4 Masanori Osawa . . . . 26346 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26346 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 444 26346 '15N chemical shifts' 132 26346 '1H chemical shifts' 132 26346 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 . . 2025-09-15 . original BMRB . 26346 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26344 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for FOXO3a (1-146) phosphorylated on T32' 26346 BMRB 26345 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for FOXO3a (1-146)' 26346 BMRB 26347 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for FOXO3a (141-284) phosphorylated on S253' 26346 BMRB 26348 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for full length 14-3-3z' 26346 BMRB 26350 'Backbone 1H and 15N Chemical Shift Assignments for FOXO3a (1-284) phosphorylated on T32 and S253' 26346 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26346 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39259470 _Citation.DOI 10.1007/s12104-024-10200-7 _Citation.Full_citation . _Citation.Title ; NMR (1)H, (13)C, (15)N backbone resonance assignments of 14-3-3z binding region of human FOXO3a (residues 1-284). ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 18 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-2718 _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 275 _Citation.Page_last 283 _Citation.Year 2024 _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 Shota Enomoto S. . . . 26346 1 2 Shoichi Nakatsuka S. . . . 26346 1 3 Tomoya Kuwayama T. . . . 26346 1 4 Kosaku Kawatsu K. . . . 26346 1 5 Mariko Yokogawa M. . . . 26346 1 6 Masanori Osawa M. . . . 26346 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 26346 _Assembly.ID 1 _Assembly.Name 'FOXO3a (141-284)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 16404 _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 'subunit 1' 1 $entity_1 . . yes native no no . . . 26346 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26346 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FOXO3a (141-284)' _Entity.Type polymer _Entity.Polymer_common_type protein _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSAGGSGQPRKCSSRRN AWGNLSYADLITRAIESSPD KRLTLSQIYEWMVRCVPYFK DKGDSNSSAGWKNSIRHNLS LHSRFMRVQNEGTGKSSWWI INPDGGKSGKAPRRRAVSMD NSNKYTKSRGRAAKKKAALQ TAPESADDS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16404 _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 -5 GLY . 26346 1 2 -4 PRO . 26346 1 3 -3 LEU . 26346 1 4 -2 GLY . 26346 1 5 -1 SER . 26346 1 6 141 ALA . 26346 1 7 142 GLY . 26346 1 8 143 GLY . 26346 1 9 144 SER . 26346 1 10 145 GLY . 26346 1 11 146 GLN . 26346 1 12 147 PRO . 26346 1 13 148 ARG . 26346 1 14 149 LYS . 26346 1 15 150 CYS . 26346 1 16 151 SER . 26346 1 17 152 SER . 26346 1 18 153 ARG . 26346 1 19 154 ARG . 26346 1 20 155 ASN . 26346 1 21 156 ALA . 26346 1 22 157 TRP . 26346 1 23 158 GLY . 26346 1 24 159 ASN . 26346 1 25 160 LEU . 26346 1 26 161 SER . 26346 1 27 162 TYR . 26346 1 28 163 ALA . 26346 1 29 164 ASP . 26346 1 30 165 LEU . 26346 1 31 166 ILE . 26346 1 32 167 THR . 26346 1 33 168 ARG . 26346 1 34 169 ALA . 26346 1 35 170 ILE . 26346 1 36 171 GLU . 26346 1 37 172 SER . 26346 1 38 173 SER . 26346 1 39 174 PRO . 26346 1 40 175 ASP . 26346 1 41 176 LYS . 26346 1 42 177 ARG . 26346 1 43 178 LEU . 26346 1 44 179 THR . 26346 1 45 180 LEU . 26346 1 46 181 SER . 26346 1 47 182 GLN . 26346 1 48 183 ILE . 26346 1 49 184 TYR . 26346 1 50 185 GLU . 26346 1 51 186 TRP . 26346 1 52 187 MET . 26346 1 53 188 VAL . 26346 1 54 189 ARG . 26346 1 55 190 CYS . 26346 1 56 191 VAL . 26346 1 57 192 PRO . 26346 1 58 193 TYR . 26346 1 59 194 PHE . 26346 1 60 195 LYS . 26346 1 61 196 ASP . 26346 1 62 197 LYS . 26346 1 63 198 GLY . 26346 1 64 199 ASP . 26346 1 65 200 SER . 26346 1 66 201 ASN . 26346 1 67 202 SER . 26346 1 68 203 SER . 26346 1 69 204 ALA . 26346 1 70 205 GLY . 26346 1 71 206 TRP . 26346 1 72 207 LYS . 26346 1 73 208 ASN . 26346 1 74 209 SER . 26346 1 75 210 ILE . 26346 1 76 211 ARG . 26346 1 77 212 HIS . 26346 1 78 213 ASN . 26346 1 79 214 LEU . 26346 1 80 215 SER . 26346 1 81 216 LEU . 26346 1 82 217 HIS . 26346 1 83 218 SER . 26346 1 84 219 ARG . 26346 1 85 220 PHE . 26346 1 86 221 MET . 26346 1 87 222 ARG . 26346 1 88 223 VAL . 26346 1 89 224 GLN . 26346 1 90 225 ASN . 26346 1 91 226 GLU . 26346 1 92 227 GLY . 26346 1 93 228 THR . 26346 1 94 229 GLY . 26346 1 95 230 LYS . 26346 1 96 231 SER . 26346 1 97 232 SER . 26346 1 98 233 TRP . 26346 1 99 234 TRP . 26346 1 100 235 ILE . 26346 1 101 236 ILE . 26346 1 102 237 ASN . 26346 1 103 238 PRO . 26346 1 104 239 ASP . 26346 1 105 240 GLY . 26346 1 106 241 GLY . 26346 1 107 242 LYS . 26346 1 108 243 SER . 26346 1 109 244 GLY . 26346 1 110 245 LYS . 26346 1 111 246 ALA . 26346 1 112 247 PRO . 26346 1 113 248 ARG . 26346 1 114 249 ARG . 26346 1 115 250 ARG . 26346 1 116 251 ALA . 26346 1 117 252 VAL . 26346 1 118 253 SER . 26346 1 119 254 MET . 26346 1 120 255 ASP . 26346 1 121 256 ASN . 26346 1 122 257 SER . 26346 1 123 258 ASN . 26346 1 124 259 LYS . 26346 1 125 260 TYR . 26346 1 126 261 THR . 26346 1 127 262 LYS . 26346 1 128 263 SER . 26346 1 129 264 ARG . 26346 1 130 265 GLY . 26346 1 131 266 ARG . 26346 1 132 267 ALA . 26346 1 133 268 ALA . 26346 1 134 269 LYS . 26346 1 135 270 LYS . 26346 1 136 271 LYS . 26346 1 137 272 ALA . 26346 1 138 273 ALA . 26346 1 139 274 LEU . 26346 1 140 275 GLN . 26346 1 141 276 THR . 26346 1 142 277 ALA . 26346 1 143 278 PRO . 26346 1 144 279 GLU . 26346 1 145 280 SER . 26346 1 146 281 ALA . 26346 1 147 282 ASP . 26346 1 148 283 ASP . 26346 1 149 284 SER . 26346 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 . GLY 1 1 26346 1 . PRO 2 2 26346 1 . LEU 3 3 26346 1 . GLY 4 4 26346 1 . SER 5 5 26346 1 . ALA 6 6 26346 1 . GLY 7 7 26346 1 . GLY 8 8 26346 1 . SER 9 9 26346 1 . GLY 10 10 26346 1 . GLN 11 11 26346 1 . PRO 12 12 26346 1 . ARG 13 13 26346 1 . LYS 14 14 26346 1 . CYS 15 15 26346 1 . SER 16 16 26346 1 . SER 17 17 26346 1 . ARG 18 18 26346 1 . ARG 19 19 26346 1 . ASN 20 20 26346 1 . ALA 21 21 26346 1 . TRP 22 22 26346 1 . GLY 23 23 26346 1 . ASN 24 24 26346 1 . LEU 25 25 26346 1 . SER 26 26 26346 1 . TYR 27 27 26346 1 . ALA 28 28 26346 1 . ASP 29 29 26346 1 . LEU 30 30 26346 1 . ILE 31 31 26346 1 . THR 32 32 26346 1 . ARG 33 33 26346 1 . ALA 34 34 26346 1 . ILE 35 35 26346 1 . GLU 36 36 26346 1 . SER 37 37 26346 1 . SER 38 38 26346 1 . PRO 39 39 26346 1 . ASP 40 40 26346 1 . LYS 41 41 26346 1 . ARG 42 42 26346 1 . LEU 43 43 26346 1 . THR 44 44 26346 1 . LEU 45 45 26346 1 . SER 46 46 26346 1 . GLN 47 47 26346 1 . ILE 48 48 26346 1 . TYR 49 49 26346 1 . GLU 50 50 26346 1 . TRP 51 51 26346 1 . MET 52 52 26346 1 . VAL 53 53 26346 1 . ARG 54 54 26346 1 . CYS 55 55 26346 1 . VAL 56 56 26346 1 . PRO 57 57 26346 1 . TYR 58 58 26346 1 . PHE 59 59 26346 1 . LYS 60 60 26346 1 . ASP 61 61 26346 1 . LYS 62 62 26346 1 . GLY 63 63 26346 1 . ASP 64 64 26346 1 . SER 65 65 26346 1 . ASN 66 66 26346 1 . SER 67 67 26346 1 . SER 68 68 26346 1 . ALA 69 69 26346 1 . GLY 70 70 26346 1 . TRP 71 71 26346 1 . LYS 72 72 26346 1 . ASN 73 73 26346 1 . SER 74 74 26346 1 . ILE 75 75 26346 1 . ARG 76 76 26346 1 . HIS 77 77 26346 1 . ASN 78 78 26346 1 . LEU 79 79 26346 1 . SER 80 80 26346 1 . LEU 81 81 26346 1 . HIS 82 82 26346 1 . SER 83 83 26346 1 . ARG 84 84 26346 1 . PHE 85 85 26346 1 . MET 86 86 26346 1 . ARG 87 87 26346 1 . VAL 88 88 26346 1 . GLN 89 89 26346 1 . ASN 90 90 26346 1 . GLU 91 91 26346 1 . GLY 92 92 26346 1 . THR 93 93 26346 1 . GLY 94 94 26346 1 . LYS 95 95 26346 1 . SER 96 96 26346 1 . SER 97 97 26346 1 . TRP 98 98 26346 1 . TRP 99 99 26346 1 . ILE 100 100 26346 1 . ILE 101 101 26346 1 . ASN 102 102 26346 1 . PRO 103 103 26346 1 . ASP 104 104 26346 1 . GLY 105 105 26346 1 . GLY 106 106 26346 1 . LYS 107 107 26346 1 . SER 108 108 26346 1 . GLY 109 109 26346 1 . LYS 110 110 26346 1 . ALA 111 111 26346 1 . PRO 112 112 26346 1 . ARG 113 113 26346 1 . ARG 114 114 26346 1 . ARG 115 115 26346 1 . ALA 116 116 26346 1 . VAL 117 117 26346 1 . SER 118 118 26346 1 . MET 119 119 26346 1 . ASP 120 120 26346 1 . ASN 121 121 26346 1 . SER 122 122 26346 1 . ASN 123 123 26346 1 . LYS 124 124 26346 1 . TYR 125 125 26346 1 . THR 126 126 26346 1 . LYS 127 127 26346 1 . SER 128 128 26346 1 . ARG 129 129 26346 1 . GLY 130 130 26346 1 . ARG 131 131 26346 1 . ALA 132 132 26346 1 . ALA 133 133 26346 1 . LYS 134 134 26346 1 . LYS 135 135 26346 1 . LYS 136 136 26346 1 . ALA 137 137 26346 1 . ALA 138 138 26346 1 . LEU 139 139 26346 1 . GLN 140 140 26346 1 . THR 141 141 26346 1 . ALA 142 142 26346 1 . PRO 143 143 26346 1 . GLU 144 144 26346 1 . SER 145 145 26346 1 . ALA 146 146 26346 1 . ASP 147 147 26346 1 . ASP 148 148 26346 1 . SER 149 149 26346 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 26346 _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_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26346 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 26346 _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_1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . plasmid . . pGEX6P-1 . . . 26346 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26346 _Sample.ID 1 _Sample.Name '13C 15N FOXO3a (141-284)' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'FOXO3a (141-284)' '[U-13C; U-15N]' 1 $assembly_1 1 $entity_1 . protein 567 . . uM . . . . 26346 1 2 DTT 'natural abundance' . . . . . 'reducing agent' 1 . . mM . . . . 26346 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 26346 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 26346 1 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 26346 1 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 26346 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 26346 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.4 . pH 26346 1 pressure 1 . atm 26346 1 temperature 303 . K 26346 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 26346 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.190 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 26346 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 26346 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.2.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 26346 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 26346 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE NEO 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 26346 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26346 1 2 '3D CBCA(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26346 1 3 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26346 1 4 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26346 1 5 '3D HN(CA)CO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26346 1 6 '3D CC(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26346 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 26346 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chem_shift_reference_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 . . . . . 26346 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.0 . . . . . 26346 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26346 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 26346 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assigned chemical shift of FOXO3a (141-284)' _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 $chem_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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 26346 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 26346 1 3 '3D HNCACB' 1 $sample_1 isotropic 26346 1 4 '3D HNCO' 1 $sample_1 isotropic 26346 1 5 '3D HN(CA)CO' 1 $sample_1 isotropic 26346 1 6 '3D CC(CO)NH' 1 $sample_1 isotropic 26346 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 26346 1 2 $software_2 . . 26346 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 2 2 PRO C C 13 177.062 0.01 . 1 . . . . . -4 PRO C . 26346 1 2 . 1 . 1 2 2 PRO CA C 13 63.288 0.3 . 1 . . . . . -4 PRO CA . 26346 1 3 . 1 . 1 2 2 PRO CB C 13 32.459 0.3 . 1 . . . . . -4 PRO CB . 26346 1 4 . 1 . 1 2 2 PRO CD C 13 50.405 0.1 . 1 . . . . . -4 PRO CD . 26346 1 5 . 1 . 1 2 2 PRO CG C 13 27.781 0.1 . 1 . . . . . -4 PRO CG . 26346 1 6 . 1 . 1 3 3 LEU H H 1 8.493 0.01 . 1 . . . . . -3 LEU H . 26346 1 7 . 1 . 1 3 3 LEU C C 13 178.043 0.01 . 1 . . . . . -3 LEU C . 26346 1 8 . 1 . 1 3 3 LEU CA C 13 55.583 0.3 . 1 . . . . . -3 LEU CA . 26346 1 9 . 1 . 1 3 3 LEU CB C 13 42.432 0.3 . 1 . . . . . -3 LEU CB . 26346 1 10 . 1 . 1 3 3 LEU CD1 C 13 22.945 0.1 . 2 . . . . . -3 LEU CD1 . 26346 1 11 . 1 . 1 3 3 LEU CD2 C 13 21.680 0.1 . 2 . . . . . -3 LEU CD2 . 26346 1 12 . 1 . 1 3 3 LEU CG C 13 27.788 0.1 . 1 . . . . . -3 LEU CG . 26346 1 13 . 1 . 1 3 3 LEU N N 15 122.388 0.05 . 1 . . . . . -3 LEU N . 26346 1 14 . 1 . 1 4 4 GLY H H 1 8.381 0.01 . 1 . . . . . -2 GLY H . 26346 1 15 . 1 . 1 4 4 GLY C C 13 174.380 0.01 . 1 . . . . . -2 GLY C . 26346 1 16 . 1 . 1 4 4 GLY CA C 13 45.486 0.3 . 1 . . . . . -2 GLY CA . 26346 1 17 . 1 . 1 4 4 GLY N N 15 109.840 0.05 . 1 . . . . . -2 GLY N . 26346 1 18 . 1 . 1 5 5 SER H H 1 8.198 0.01 . 1 . . . . . -1 SER H . 26346 1 19 . 1 . 1 5 5 SER C C 13 174.627 0.01 . 1 . . . . . -1 SER C . 26346 1 20 . 1 . 1 5 5 SER CA C 13 58.336 0.3 . 1 . . . . . -1 SER CA . 26346 1 21 . 1 . 1 5 5 SER CB C 13 64.096 0.3 . 1 . . . . . -1 SER CB . 26346 1 22 . 1 . 1 5 5 SER N N 15 115.762 0.05 . 1 . . . . . -1 SER N . 26346 1 23 . 1 . 1 6 6 ALA H H 1 8.409 0.01 . 1 . . . . . 141 ALA H . 26346 1 24 . 1 . 1 6 6 ALA C C 13 178.276 0.01 . 1 . . . . . 141 ALA C . 26346 1 25 . 1 . 1 6 6 ALA CA C 13 52.833 0.3 . 1 . . . . . 141 ALA CA . 26346 1 26 . 1 . 1 6 6 ALA CB C 13 19.284 0.3 . 1 . . . . . 141 ALA CB . 26346 1 27 . 1 . 1 6 6 ALA N N 15 126.033 0.05 . 1 . . . . . 141 ALA N . 26346 1 28 . 1 . 1 7 7 GLY H H 1 8.332 0.01 . 1 . . . . . 142 GLY H . 26346 1 29 . 1 . 1 7 7 GLY C C 13 174.820 0.01 . 1 . . . . . 142 GLY C . 26346 1 30 . 1 . 1 7 7 GLY CA C 13 45.529 0.3 . 1 . . . . . 142 GLY CA . 26346 1 31 . 1 . 1 7 7 GLY N N 15 108.002 0.05 . 1 . . . . . 142 GLY N . 26346 1 32 . 1 . 1 8 8 GLY H H 1 8.229 0.01 . 1 . . . . . 143 GLY H . 26346 1 33 . 1 . 1 8 8 GLY C C 13 174.506 0.01 . 1 . . . . . 143 GLY C . 26346 1 34 . 1 . 1 8 8 GLY CA C 13 45.407 0.3 . 1 . . . . . 143 GLY CA . 26346 1 35 . 1 . 1 8 8 GLY N N 15 108.818 0.05 . 1 . . . . . 143 GLY N . 26346 1 36 . 1 . 1 9 9 SER H H 1 8.334 0.01 . 1 . . . . . 144 SER H . 26346 1 37 . 1 . 1 9 9 SER C C 13 175.209 0.01 . 1 . . . . . 144 SER C . 26346 1 38 . 1 . 1 9 9 SER CA C 13 58.640 0.3 . 1 . . . . . 144 SER CA . 26346 1 39 . 1 . 1 9 9 SER CB C 13 64.017 0.3 . 1 . . . . . 144 SER CB . 26346 1 40 . 1 . 1 9 9 SER N N 15 115.659 0.05 . 1 . . . . . 144 SER N . 26346 1 41 . 1 . 1 10 10 GLY H H 1 8.476 0.01 . 1 . . . . . 145 GLY H . 26346 1 42 . 1 . 1 10 10 GLY C C 13 173.868 0.01 . 1 . . . . . 145 GLY C . 26346 1 43 . 1 . 1 10 10 GLY CA C 13 45.333 0.3 . 1 . . . . . 145 GLY CA . 26346 1 44 . 1 . 1 10 10 GLY N N 15 110.755 0.05 . 1 . . . . . 145 GLY N . 26346 1 45 . 1 . 1 11 11 GLN H H 1 8.122 0.01 . 1 . . . . . 146 GLN H . 26346 1 46 . 1 . 1 11 11 GLN C C 13 174.082 0.01 . 1 . . . . . 146 GLN C . 26346 1 47 . 1 . 1 11 11 GLN CA C 13 53.698 0.1 . 1 . . . . . 146 GLN CA . 26346 1 48 . 1 . 1 11 11 GLN CB C 13 29.018 0.1 . 1 . . . . . 146 GLN CB . 26346 1 49 . 1 . 1 11 11 GLN N N 15 120.615 0.05 . 1 . . . . . 146 GLN N . 26346 1 50 . 1 . 1 17 17 SER C C 13 174.497 0.01 . 1 . . . . . 152 SER C . 26346 1 51 . 1 . 1 17 17 SER CA C 13 56.452 0.3 . 1 . . . . . 152 SER CA . 26346 1 52 . 1 . 1 17 17 SER CB C 13 63.895 0.3 . 1 . . . . . 152 SER CB . 26346 1 53 . 1 . 1 18 18 ARG H H 1 8.302 0.01 . 1 . . . . . 153 ARG H . 26346 1 54 . 1 . 1 18 18 ARG C C 13 176.167 0.01 . 1 . . . . . 153 ARG C . 26346 1 55 . 1 . 1 18 18 ARG CA C 13 56.221 0.3 . 1 . . . . . 153 ARG CA . 26346 1 56 . 1 . 1 18 18 ARG CB C 13 30.829 0.3 . 1 . . . . . 153 ARG CB . 26346 1 57 . 1 . 1 18 18 ARG N N 15 123.039 0.05 . 1 . . . . . 153 ARG N . 26346 1 58 . 1 . 1 19 19 ARG H H 1 8.244 0.01 . 1 . . . . . 154 ARG H . 26346 1 59 . 1 . 1 19 19 ARG C C 13 175.953 0.01 . 1 . . . . . 154 ARG C . 26346 1 60 . 1 . 1 19 19 ARG CA C 13 56.564 0.3 . 1 . . . . . 154 ARG CA . 26346 1 61 . 1 . 1 19 19 ARG CB C 13 30.964 0.3 . 1 . . . . . 154 ARG CB . 26346 1 62 . 1 . 1 19 19 ARG N N 15 121.845 0.05 . 1 . . . . . 154 ARG N . 26346 1 63 . 1 . 1 20 20 ASN H H 1 8.068 0.01 . 1 . . . . . 155 ASN H . 26346 1 64 . 1 . 1 20 20 ASN CA C 13 52.589 0.3 . 1 . . . . . 155 ASN CA . 26346 1 65 . 1 . 1 20 20 ASN CB C 13 38.955 0.3 . 1 . . . . . 155 ASN CB . 26346 1 66 . 1 . 1 20 20 ASN N N 15 118.773 0.05 . 1 . . . . . 155 ASN N . 26346 1 67 . 1 . 1 21 21 ALA H H 1 8.183 0.01 . 1 . . . . . 156 ALA H . 26346 1 68 . 1 . 1 21 21 ALA C C 13 177.467 0.01 . 1 . . . . . 156 ALA C . 26346 1 69 . 1 . 1 21 21 ALA CA C 13 53.590 0.3 . 1 . . . . . 156 ALA CA . 26346 1 70 . 1 . 1 21 21 ALA CB C 13 18.984 0.3 . 1 . . . . . 156 ALA CB . 26346 1 71 . 1 . 1 21 21 ALA N N 15 123.846 0.05 . 1 . . . . . 156 ALA N . 26346 1 72 . 1 . 1 22 22 TRP H H 1 7.320 0.01 . 1 . . . . . 157 TRP H . 26346 1 73 . 1 . 1 22 22 TRP C C 13 176.257 0.01 . 1 . . . . . 157 TRP C . 26346 1 74 . 1 . 1 22 22 TRP CA C 13 57.165 0.3 . 1 . . . . . 157 TRP CA . 26346 1 75 . 1 . 1 22 22 TRP CB C 13 29.170 0.3 . 1 . . . . . 157 TRP CB . 26346 1 76 . 1 . 1 22 22 TRP N N 15 115.509 0.05 . 1 . . . . . 157 TRP N . 26346 1 77 . 1 . 1 23 23 GLY H H 1 7.707 0.3 . 1 . . . . . 158 GLY H . 26346 1 78 . 1 . 1 23 23 GLY C C 13 173.725 0.01 . 1 . . . . . 158 GLY C . 26346 1 79 . 1 . 1 23 23 GLY CA C 13 45.554 0.3 . 1 . . . . . 158 GLY CA . 26346 1 80 . 1 . 1 23 23 GLY N N 15 109.652 0.01 . 1 . . . . . 158 GLY N . 26346 1 81 . 1 . 1 24 24 ASN H H 1 8.346 0.01 . 1 . . . . . 159 ASN H . 26346 1 82 . 1 . 1 24 24 ASN C C 13 174.952 0.01 . 1 . . . . . 159 ASN C . 26346 1 83 . 1 . 1 24 24 ASN CA C 13 53.518 0.3 . 1 . . . . . 159 ASN CA . 26346 1 84 . 1 . 1 24 24 ASN CB C 13 38.622 0.3 . 1 . . . . . 159 ASN CB . 26346 1 85 . 1 . 1 24 24 ASN N N 15 118.675 0.05 . 1 . . . . . 159 ASN N . 26346 1 86 . 1 . 1 25 25 LEU H H 1 7.654 0.01 . 1 . . . . . 160 LEU H . 26346 1 87 . 1 . 1 25 25 LEU C C 13 176.574 0.01 . 1 . . . . . 160 LEU C . 26346 1 88 . 1 . 1 25 25 LEU CA C 13 54.875 0.3 . 1 . . . . . 160 LEU CA . 26346 1 89 . 1 . 1 25 25 LEU CB C 13 43.154 0.3 . 1 . . . . . 160 LEU CB . 26346 1 90 . 1 . 1 25 25 LEU N N 15 120.898 0.05 . 1 . . . . . 160 LEU N . 26346 1 91 . 1 . 1 26 26 SER H H 1 8.961 0.01 . 1 . . . . . 161 SER H . 26346 1 92 . 1 . 1 26 26 SER C C 13 175.787 0.01 . 1 . . . . . 161 SER C . 26346 1 93 . 1 . 1 26 26 SER CA C 13 56.752 0.3 . 1 . . . . . 161 SER CA . 26346 1 94 . 1 . 1 26 26 SER CB C 13 64.916 0.3 . 1 . . . . . 161 SER CB . 26346 1 95 . 1 . 1 26 26 SER N N 15 118.328 0.05 . 1 . . . . . 161 SER N . 26346 1 96 . 1 . 1 27 27 TYR H H 1 8.820 0.01 . 1 . . . . . 162 TYR H . 26346 1 97 . 1 . 1 27 27 TYR C C 13 178.258 0.01 . 1 . . . . . 162 TYR C . 26346 1 98 . 1 . 1 27 27 TYR CA C 13 63.342 0.3 . 1 . . . . . 162 TYR CA . 26346 1 99 . 1 . 1 27 27 TYR CB C 13 38.663 0.3 . 1 . . . . . 162 TYR CB . 26346 1 100 . 1 . 1 27 27 TYR N N 15 121.059 0.05 . 1 . . . . . 162 TYR N . 26346 1 101 . 1 . 1 28 28 ALA H H 1 8.684 0.01 . 1 . . . . . 163 ALA H . 26346 1 102 . 1 . 1 28 28 ALA C C 13 173.347 0.01 . 1 . . . . . 163 ALA C . 26346 1 103 . 1 . 1 28 28 ALA CA C 13 56.098 0.3 . 1 . . . . . 163 ALA CA . 26346 1 104 . 1 . 1 28 28 ALA CB C 13 17.528 0.3 . 1 . . . . . 163 ALA CB . 26346 1 105 . 1 . 1 28 28 ALA N N 15 119.534 0.05 . 1 . . . . . 163 ALA N . 26346 1 106 . 1 . 1 29 29 ASP H H 1 8.063 0.01 . 1 . . . . . 164 ASP H . 26346 1 107 . 1 . 1 29 29 ASP C C 13 178.833 0.01 . 1 . . . . . 164 ASP C . 26346 1 108 . 1 . 1 29 29 ASP CA C 13 57.759 0.3 . 1 . . . . . 164 ASP CA . 26346 1 109 . 1 . 1 29 29 ASP CB C 13 41.072 0.3 . 1 . . . . . 164 ASP CB . 26346 1 110 . 1 . 1 29 29 ASP N N 15 120.687 0.05 . 1 . . . . . 164 ASP N . 26346 1 111 . 1 . 1 30 30 LEU H H 1 8.106 0.01 . 1 . . . . . 165 LEU H . 26346 1 112 . 1 . 1 30 30 LEU C C 13 177.626 0.01 . 1 . . . . . 165 LEU C . 26346 1 113 . 1 . 1 30 30 LEU CA C 13 58.378 0.3 . 1 . . . . . 165 LEU CA . 26346 1 114 . 1 . 1 30 30 LEU CB C 13 42.741 0.3 . 1 . . . . . 165 LEU CB . 26346 1 115 . 1 . 1 30 30 LEU N N 15 121.632 0.05 . 1 . . . . . 165 LEU N . 26346 1 116 . 1 . 1 31 31 ILE H H 1 8.461 0.01 . 1 . . . . . 166 ILE H . 26346 1 117 . 1 . 1 31 31 ILE C C 13 177.344 0.01 . 1 . . . . . 166 ILE C . 26346 1 118 . 1 . 1 31 31 ILE CA C 13 65.670 0.3 . 1 . . . . . 166 ILE CA . 26346 1 119 . 1 . 1 31 31 ILE CB C 13 38.111 0.3 . 1 . . . . . 166 ILE CB . 26346 1 120 . 1 . 1 31 31 ILE N N 15 118.473 0.05 . 1 . . . . . 166 ILE N . 26346 1 121 . 1 . 1 32 32 THR H H 1 7.865 0.01 . 1 . . . . . 167 THR H . 26346 1 122 . 1 . 1 32 32 THR C C 13 175.001 0.01 . 1 . . . . . 167 THR C . 26346 1 123 . 1 . 1 32 32 THR CA C 13 68.187 0.3 . 1 . . . . . 167 THR CA . 26346 1 124 . 1 . 1 32 32 THR CB C 13 68.922 0.3 . 1 . . . . . 167 THR CB . 26346 1 125 . 1 . 1 32 32 THR CG2 C 13 21.681 0.1 . 1 . . . . . 167 THR CG2 . 26346 1 126 . 1 . 1 32 32 THR N N 15 115.143 0.05 . 1 . . . . . 167 THR N . 26346 1 127 . 1 . 1 33 33 ARG H H 1 7.609 0.01 . 1 . . . . . 168 ARG H . 26346 1 128 . 1 . 1 33 33 ARG C C 13 178.506 0.01 . 1 . . . . . 168 ARG C . 26346 1 129 . 1 . 1 33 33 ARG CA C 13 59.123 0.3 . 1 . . . . . 168 ARG CA . 26346 1 130 . 1 . 1 33 33 ARG CB C 13 30.189 0.3 . 1 . . . . . 168 ARG CB . 26346 1 131 . 1 . 1 33 33 ARG CD C 13 44.428 0.1 . 1 . . . . . 168 ARG CD . 26346 1 132 . 1 . 1 33 33 ARG CG C 13 28.199 0.1 . 1 . . . . . 168 ARG CG . 26346 1 133 . 1 . 1 33 33 ARG N N 15 120.098 0.05 . 1 . . . . . 168 ARG N . 26346 1 134 . 1 . 1 34 34 ALA H H 1 7.458 0.01 . 1 . . . . . 169 ALA H . 26346 1 135 . 1 . 1 34 34 ALA C C 13 172.686 0.01 . 1 . . . . . 169 ALA C . 26346 1 136 . 1 . 1 34 34 ALA CA C 13 54.751 0.3 . 1 . . . . . 169 ALA CA . 26346 1 137 . 1 . 1 34 34 ALA CB C 13 17.038 0.3 . 1 . . . . . 169 ALA CB . 26346 1 138 . 1 . 1 34 34 ALA N N 15 123.264 0.05 . 1 . . . . . 169 ALA N . 26346 1 139 . 1 . 1 35 35 ILE H H 1 7.999 0.01 . 1 . . . . . 170 ILE H . 26346 1 140 . 1 . 1 35 35 ILE C C 13 172.551 0.01 . 1 . . . . . 170 ILE C . 26346 1 141 . 1 . 1 35 35 ILE CA C 13 66.522 0.3 . 1 . . . . . 170 ILE CA . 26346 1 142 . 1 . 1 35 35 ILE CB C 13 38.638 0.3 . 1 . . . . . 170 ILE CB . 26346 1 143 . 1 . 1 35 35 ILE CG2 C 13 18.864 0.1 . 1 . . . . . 170 ILE CG2 . 26346 1 144 . 1 . 1 35 35 ILE N N 15 118.069 0.05 . 1 . . . . . 170 ILE N . 26346 1 145 . 1 . 1 36 36 GLU H H 1 8.731 0.01 . 1 . . . . . 171 GLU H . 26346 1 146 . 1 . 1 36 36 GLU C C 13 177.415 0.01 . 1 . . . . . 171 GLU C . 26346 1 147 . 1 . 1 36 36 GLU CA C 13 59.323 0.3 . 1 . . . . . 171 GLU CA . 26346 1 148 . 1 . 1 36 36 GLU CB C 13 29.640 0.3 . 1 . . . . . 171 GLU CB . 26346 1 149 . 1 . 1 36 36 GLU CG C 13 37.883 0.1 . 1 . . . . . 171 GLU CG . 26346 1 150 . 1 . 1 36 36 GLU N N 15 118.215 0.05 . 1 . . . . . 171 GLU N . 26346 1 151 . 1 . 1 37 37 SER H H 1 7.483 0.01 . 1 . . . . . 172 SER H . 26346 1 152 . 1 . 1 37 37 SER C C 13 174.405 0.01 . 1 . . . . . 172 SER C . 26346 1 153 . 1 . 1 37 37 SER CA C 13 59.637 0.3 . 1 . . . . . 172 SER CA . 26346 1 154 . 1 . 1 37 37 SER CB C 13 63.982 0.3 . 1 . . . . . 172 SER CB . 26346 1 155 . 1 . 1 37 37 SER N N 15 112.379 0.05 . 1 . . . . . 172 SER N . 26346 1 156 . 1 . 1 38 38 SER H H 1 7.527 0.01 . 1 . . . . . 173 SER H . 26346 1 157 . 1 . 1 38 38 SER C C 13 174.814 0.01 . 1 . . . . . 173 SER C . 26346 1 158 . 1 . 1 38 38 SER CA C 13 56.655 0.1 . 1 . . . . . 173 SER CA . 26346 1 159 . 1 . 1 38 38 SER CB C 13 64.068 0.1 . 1 . . . . . 173 SER CB . 26346 1 160 . 1 . 1 38 38 SER N N 15 120.112 0.05 . 1 . . . . . 173 SER N . 26346 1 161 . 1 . 1 39 39 PRO C C 13 177.677 0.01 . 1 . . . . . 174 PRO C . 26346 1 162 . 1 . 1 39 39 PRO CA C 13 65.504 0.3 . 1 . . . . . 174 PRO CA . 26346 1 163 . 1 . 1 39 39 PRO CB C 13 32.072 0.3 . 1 . . . . . 174 PRO CB . 26346 1 164 . 1 . 1 40 40 ASP H H 1 8.202 0.01 . 1 . . . . . 175 ASP H . 26346 1 165 . 1 . 1 40 40 ASP C C 13 174.906 0.01 . 1 . . . . . 175 ASP C . 26346 1 166 . 1 . 1 40 40 ASP CA C 13 53.587 0.3 . 1 . . . . . 175 ASP CA . 26346 1 167 . 1 . 1 40 40 ASP CB C 13 41.297 0.3 . 1 . . . . . 175 ASP CB . 26346 1 168 . 1 . 1 40 40 ASP N N 15 113.769 0.05 . 1 . . . . . 175 ASP N . 26346 1 169 . 1 . 1 41 41 LYS H H 1 7.909 0.01 . 1 . . . . . 176 LYS H . 26346 1 170 . 1 . 1 41 41 LYS C C 13 174.785 0.01 . 1 . . . . . 176 LYS C . 26346 1 171 . 1 . 1 41 41 LYS CA C 13 55.768 0.3 . 1 . . . . . 176 LYS CA . 26346 1 172 . 1 . 1 41 41 LYS CB C 13 28.718 0.3 . 1 . . . . . 176 LYS CB . 26346 1 173 . 1 . 1 41 41 LYS N N 15 116.048 0.05 . 1 . . . . . 176 LYS N . 26346 1 174 . 1 . 1 42 42 ARG H H 1 7.320 0.01 . 1 . . . . . 177 ARG H . 26346 1 175 . 1 . 1 42 42 ARG C C 13 173.915 0.01 . 1 . . . . . 177 ARG C . 26346 1 176 . 1 . 1 42 42 ARG CA C 13 54.540 0.3 . 1 . . . . . 177 ARG CA . 26346 1 177 . 1 . 1 42 42 ARG CB C 13 32.441 0.3 . 1 . . . . . 177 ARG CB . 26346 1 178 . 1 . 1 42 42 ARG N N 15 112.670 0.05 . 1 . . . . . 177 ARG N . 26346 1 179 . 1 . 1 43 43 LEU H H 1 8.550 0.01 . 1 . . . . . 178 LEU H . 26346 1 180 . 1 . 1 43 43 LEU C C 13 177.317 0.01 . 1 . . . . . 178 LEU C . 26346 1 181 . 1 . 1 43 43 LEU CA C 13 54.240 0.3 . 1 . . . . . 178 LEU CA . 26346 1 182 . 1 . 1 43 43 LEU CB C 13 49.706 0.3 . 1 . . . . . 178 LEU CB . 26346 1 183 . 1 . 1 43 43 LEU N N 15 119.858 0.05 . 1 . . . . . 178 LEU N . 26346 1 184 . 1 . 1 44 44 THR H H 1 8.893 0.01 . 1 . . . . . 179 THR H . 26346 1 185 . 1 . 1 44 44 THR C C 13 175.631 0.01 . 1 . . . . . 179 THR C . 26346 1 186 . 1 . 1 44 44 THR CA C 13 60.688 0.3 . 1 . . . . . 179 THR CA . 26346 1 187 . 1 . 1 44 44 THR CB C 13 71.065 0.3 . 1 . . . . . 179 THR CB . 26346 1 188 . 1 . 1 44 44 THR CG2 C 13 22.055 0.1 . 1 . . . . . 179 THR CG2 . 26346 1 189 . 1 . 1 44 44 THR N N 15 112.420 0.05 . 1 . . . . . 179 THR N . 26346 1 190 . 1 . 1 45 45 LEU H H 1 9.367 0.01 . 1 . . . . . 180 LEU H . 26346 1 191 . 1 . 1 45 45 LEU C C 13 178.060 0.01 . 1 . . . . . 180 LEU C . 26346 1 192 . 1 . 1 45 45 LEU CA C 13 58.991 0.3 . 1 . . . . . 180 LEU CA . 26346 1 193 . 1 . 1 45 45 LEU CB C 13 41.648 0.3 . 1 . . . . . 180 LEU CB . 26346 1 194 . 1 . 1 45 45 LEU N N 15 122.218 0.05 . 1 . . . . . 180 LEU N . 26346 1 195 . 1 . 1 46 46 SER H H 1 8.372 0.01 . 1 . . . . . 181 SER H . 26346 1 196 . 1 . 1 46 46 SER C C 13 177.471 0.01 . 1 . . . . . 181 SER C . 26346 1 197 . 1 . 1 46 46 SER CB C 13 62.572 0.3 . 1 . . . . . 181 SER CB . 26346 1 198 . 1 . 1 46 46 SER N N 15 111.269 0.05 . 1 . . . . . 181 SER N . 26346 1 199 . 1 . 1 47 47 GLN H H 1 7.623 0.01 . 1 . . . . . 182 GLN H . 26346 1 200 . 1 . 1 47 47 GLN C C 13 173.097 0.01 . 1 . . . . . 182 GLN C . 26346 1 201 . 1 . 1 47 47 GLN CA C 13 58.599 0.3 . 1 . . . . . 182 GLN CA . 26346 1 202 . 1 . 1 47 47 GLN N N 15 120.285 0.05 . 1 . . . . . 182 GLN N . 26346 1 203 . 1 . 1 48 48 ILE H H 1 8.372 0.01 . 1 . . . . . 183 ILE H . 26346 1 204 . 1 . 1 48 48 ILE C C 13 177.873 0.01 . 1 . . . . . 183 ILE C . 26346 1 205 . 1 . 1 48 48 ILE CA C 13 66.760 0.3 . 1 . . . . . 183 ILE CA . 26346 1 206 . 1 . 1 48 48 ILE N N 15 124.382 0.05 . 1 . . . . . 183 ILE N . 26346 1 207 . 1 . 1 49 49 TYR H H 1 8.152 0.01 . 1 . . . . . 184 TYR H . 26346 1 208 . 1 . 1 49 49 TYR C C 13 178.307 0.01 . 1 . . . . . 184 TYR C . 26346 1 209 . 1 . 1 49 49 TYR CA C 13 59.257 0.3 . 1 . . . . . 184 TYR CA . 26346 1 210 . 1 . 1 49 49 TYR CB C 13 37.024 0.3 . 1 . . . . . 184 TYR CB . 26346 1 211 . 1 . 1 49 49 TYR N N 15 118.258 0.05 . 1 . . . . . 184 TYR N . 26346 1 212 . 1 . 1 50 50 GLU H H 1 8.187 0.01 . 1 . . . . . 185 GLU H . 26346 1 213 . 1 . 1 50 50 GLU C C 13 178.594 0.01 . 1 . . . . . 185 GLU C . 26346 1 214 . 1 . 1 50 50 GLU CA C 13 59.686 0.3 . 1 . . . . . 185 GLU CA . 26346 1 215 . 1 . 1 50 50 GLU CB C 13 29.901 0.3 . 1 . . . . . 185 GLU CB . 26346 1 216 . 1 . 1 50 50 GLU N N 15 117.482 0.05 . 1 . . . . . 185 GLU N . 26346 1 217 . 1 . 1 51 51 TRP H H 1 8.185 0.01 . 1 . . . . . 186 TRP H . 26346 1 218 . 1 . 1 51 51 TRP C C 13 178.169 0.01 . 1 . . . . . 186 TRP C . 26346 1 219 . 1 . 1 51 51 TRP CA C 13 62.843 0.3 . 1 . . . . . 186 TRP CA . 26346 1 220 . 1 . 1 51 51 TRP CB C 13 29.601 0.3 . 1 . . . . . 186 TRP CB . 26346 1 221 . 1 . 1 51 51 TRP N N 15 120.964 0.05 . 1 . . . . . 186 TRP N . 26346 1 222 . 1 . 1 52 52 MET H H 1 8.237 0.01 . 1 . . . . . 187 MET H . 26346 1 223 . 1 . 1 52 52 MET C C 13 177.510 0.01 . 1 . . . . . 187 MET C . 26346 1 224 . 1 . 1 52 52 MET CA C 13 58.273 0.3 . 1 . . . . . 187 MET CA . 26346 1 225 . 1 . 1 52 52 MET CB C 13 31.670 0.3 . 1 . . . . . 187 MET CB . 26346 1 226 . 1 . 1 52 52 MET N N 15 117.038 0.05 . 1 . . . . . 187 MET N . 26346 1 227 . 1 . 1 53 53 VAL H H 1 7.430 0.01 . 1 . . . . . 188 VAL H . 26346 1 228 . 1 . 1 53 53 VAL C C 13 177.539 0.01 . 1 . . . . . 188 VAL C . 26346 1 229 . 1 . 1 53 53 VAL CA C 13 65.006 0.3 . 1 . . . . . 188 VAL CA . 26346 1 230 . 1 . 1 53 53 VAL CB C 13 32.212 0.3 . 1 . . . . . 188 VAL CB . 26346 1 231 . 1 . 1 53 53 VAL CG1 C 13 22.347 0.1 . 2 . . . . . 188 VAL CG1 . 26346 1 232 . 1 . 1 53 53 VAL N N 15 114.466 0.05 . 1 . . . . . 188 VAL N . 26346 1 233 . 1 . 1 54 54 ARG H H 1 7.663 0.01 . 1 . . . . . 189 ARG H . 26346 1 234 . 1 . 1 54 54 ARG C C 13 179.160 0.01 . 1 . . . . . 189 ARG C . 26346 1 235 . 1 . 1 54 54 ARG CA C 13 58.636 0.3 . 1 . . . . . 189 ARG CA . 26346 1 236 . 1 . 1 54 54 ARG CB C 13 31.868 0.3 . 1 . . . . . 189 ARG CB . 26346 1 237 . 1 . 1 54 54 ARG CD C 13 44.268 0.1 . 1 . . . . . 189 ARG CD . 26346 1 238 . 1 . 1 54 54 ARG CG C 13 28.362 0.1 . 1 . . . . . 189 ARG CG . 26346 1 239 . 1 . 1 54 54 ARG N N 15 118.351 0.05 . 1 . . . . . 189 ARG N . 26346 1 240 . 1 . 1 55 55 CYS H H 1 7.991 0.01 . 1 . . . . . 190 CYS H . 26346 1 241 . 1 . 1 55 55 CYS C C 13 174.499 0.01 . 1 . . . . . 190 CYS C . 26346 1 242 . 1 . 1 55 55 CYS CA C 13 60.118 0.3 . 1 . . . . . 190 CYS CA . 26346 1 243 . 1 . 1 55 55 CYS CB C 13 28.753 0.3 . 1 . . . . . 190 CYS CB . 26346 1 244 . 1 . 1 55 55 CYS N N 15 112.864 0.05 . 1 . . . . . 190 CYS N . 26346 1 245 . 1 . 1 56 56 VAL H H 1 7.805 0.01 . 1 . . . . . 191 VAL H . 26346 1 246 . 1 . 1 56 56 VAL C C 13 174.956 0.01 . 1 . . . . . 191 VAL C . 26346 1 247 . 1 . 1 56 56 VAL CA C 13 59.735 0.1 . 1 . . . . . 191 VAL CA . 26346 1 248 . 1 . 1 56 56 VAL CB C 13 31.852 0.1 . 1 . . . . . 191 VAL CB . 26346 1 249 . 1 . 1 56 56 VAL N N 15 121.868 0.05 . 1 . . . . . 191 VAL N . 26346 1 250 . 1 . 1 57 57 PRO C C 13 177.582 0.01 . 1 . . . . . 192 PRO C . 26346 1 251 . 1 . 1 57 57 PRO CA C 13 65.864 0.3 . 1 . . . . . 192 PRO CA . 26346 1 252 . 1 . 1 57 57 PRO CB C 13 32.055 0.3 . 1 . . . . . 192 PRO CB . 26346 1 253 . 1 . 1 58 58 TYR H H 1 7.603 0.01 . 1 . . . . . 193 TYR H . 26346 1 254 . 1 . 1 58 58 TYR C C 13 175.578 0.01 . 1 . . . . . 193 TYR C . 26346 1 255 . 1 . 1 58 58 TYR CA C 13 60.099 0.3 . 1 . . . . . 193 TYR CA . 26346 1 256 . 1 . 1 58 58 TYR CB C 13 38.922 0.3 . 1 . . . . . 193 TYR CB . 26346 1 257 . 1 . 1 58 58 TYR N N 15 115.232 0.05 . 1 . . . . . 193 TYR N . 26346 1 258 . 1 . 1 59 59 PHE H H 1 7.421 0.01 . 1 . . . . . 194 PHE H . 26346 1 259 . 1 . 1 59 59 PHE C C 13 175.979 0.01 . 1 . . . . . 194 PHE C . 26346 1 260 . 1 . 1 59 59 PHE CA C 13 58.111 0.3 . 1 . . . . . 194 PHE CA . 26346 1 261 . 1 . 1 59 59 PHE CB C 13 38.183 0.3 . 1 . . . . . 194 PHE CB . 26346 1 262 . 1 . 1 59 59 PHE N N 15 114.387 0.05 . 1 . . . . . 194 PHE N . 26346 1 263 . 1 . 1 60 60 LYS H H 1 7.493 0.01 . 1 . . . . . 195 LYS H . 26346 1 264 . 1 . 1 60 60 LYS C C 13 177.364 0.01 . 1 . . . . . 195 LYS C . 26346 1 265 . 1 . 1 60 60 LYS CA C 13 58.780 0.3 . 1 . . . . . 195 LYS CA . 26346 1 266 . 1 . 1 60 60 LYS CB C 13 33.026 0.3 . 1 . . . . . 195 LYS CB . 26346 1 267 . 1 . 1 60 60 LYS N N 15 120.272 0.05 . 1 . . . . . 195 LYS N . 26346 1 268 . 1 . 1 61 61 ASP H H 1 8.140 0.01 . 1 . . . . . 196 ASP H . 26346 1 269 . 1 . 1 61 61 ASP C C 13 176.696 0.01 . 1 . . . . . 196 ASP C . 26346 1 270 . 1 . 1 61 61 ASP CA C 13 54.106 0.3 . 1 . . . . . 196 ASP CA . 26346 1 271 . 1 . 1 61 61 ASP CB C 13 40.824 0.3 . 1 . . . . . 196 ASP CB . 26346 1 272 . 1 . 1 61 61 ASP N N 15 117.215 0.05 . 1 . . . . . 196 ASP N . 26346 1 273 . 1 . 1 62 62 LYS H H 1 7.820 0.01 . 1 . . . . . 197 LYS H . 26346 1 274 . 1 . 1 62 62 LYS C C 13 177.201 0.01 . 1 . . . . . 197 LYS C . 26346 1 275 . 1 . 1 62 62 LYS CA C 13 55.736 0.3 . 1 . . . . . 197 LYS CA . 26346 1 276 . 1 . 1 62 62 LYS CB C 13 32.848 0.3 . 1 . . . . . 197 LYS CB . 26346 1 277 . 1 . 1 62 62 LYS N N 15 119.761 0.05 . 1 . . . . . 197 LYS N . 26346 1 278 . 1 . 1 63 63 GLY H H 1 8.517 0.01 . 1 . . . . . 198 GLY H . 26346 1 279 . 1 . 1 63 63 GLY C C 13 174.434 0.01 . 1 . . . . . 198 GLY C . 26346 1 280 . 1 . 1 63 63 GLY CA C 13 46.371 0.3 . 1 . . . . . 198 GLY CA . 26346 1 281 . 1 . 1 63 63 GLY N N 15 108.206 0.05 . 1 . . . . . 198 GLY N . 26346 1 282 . 1 . 1 64 64 ASP H H 1 8.168 0.01 . 1 . . . . . 199 ASP H . 26346 1 283 . 1 . 1 64 64 ASP C C 13 176.899 0.01 . 1 . . . . . 199 ASP C . 26346 1 284 . 1 . 1 64 64 ASP CA C 13 53.812 0.1 . 1 . . . . . 199 ASP CA . 26346 1 285 . 1 . 1 64 64 ASP CB C 13 41.335 0.1 . 1 . . . . . 199 ASP CB . 26346 1 286 . 1 . 1 64 64 ASP N N 15 119.522 0.05 . 1 . . . . . 199 ASP N . 26346 1 287 . 1 . 1 65 65 SER CA C 13 60.293 0.3 . 1 . . . . . 200 SER CA . 26346 1 288 . 1 . 1 65 65 SER CB C 13 63.513 0.3 . 1 . . . . . 200 SER CB . 26346 1 289 . 1 . 1 66 66 ASN H H 1 8.502 0.01 . 1 . . . . . 201 ASN H . 26346 1 290 . 1 . 1 66 66 ASN C C 13 176.574 0.01 . 1 . . . . . 201 ASN C . 26346 1 291 . 1 . 1 66 66 ASN CA C 13 53.564 0.3 . 1 . . . . . 201 ASN CA . 26346 1 292 . 1 . 1 66 66 ASN CB C 13 38.984 0.3 . 1 . . . . . 201 ASN CB . 26346 1 293 . 1 . 1 66 66 ASN N N 15 119.859 0.05 . 1 . . . . . 201 ASN N . 26346 1 294 . 1 . 1 67 67 SER H H 1 8.285 0.01 . 1 . . . . . 202 SER H . 26346 1 295 . 1 . 1 67 67 SER CA C 13 58.634 0.1 . 1 . . . . . 202 SER CA . 26346 1 296 . 1 . 1 67 67 SER CB C 13 63.843 0.1 . 1 . . . . . 202 SER CB . 26346 1 297 . 1 . 1 67 67 SER N N 15 115.753 0.05 . 1 . . . . . 202 SER N . 26346 1 298 . 1 . 1 68 68 SER C C 13 174.408 0.01 . 1 . . . . . 203 SER C . 26346 1 299 . 1 . 1 68 68 SER CA C 13 59.344 0.3 . 1 . . . . . 203 SER CA . 26346 1 300 . 1 . 1 68 68 SER CB C 13 64.146 0.3 . 1 . . . . . 203 SER CB . 26346 1 301 . 1 . 1 69 69 ALA H H 1 7.595 0.01 . 1 . . . . . 204 ALA H . 26346 1 302 . 1 . 1 69 69 ALA C C 13 172.333 0.01 . 1 . . . . . 204 ALA C . 26346 1 303 . 1 . 1 69 69 ALA CA C 13 54.042 0.3 . 1 . . . . . 204 ALA CA . 26346 1 304 . 1 . 1 69 69 ALA CB C 13 18.993 0.3 . 1 . . . . . 204 ALA CB . 26346 1 305 . 1 . 1 69 69 ALA N N 15 123.988 0.05 . 1 . . . . . 204 ALA N . 26346 1 306 . 1 . 1 70 70 GLY H H 1 8.244 0.01 . 1 . . . . . 205 GLY H . 26346 1 307 . 1 . 1 70 70 GLY C C 13 176.675 0.01 . 1 . . . . . 205 GLY C . 26346 1 308 . 1 . 1 70 70 GLY CA C 13 47.149 0.3 . 1 . . . . . 205 GLY CA . 26346 1 309 . 1 . 1 70 70 GLY N N 15 106.796 0.05 . 1 . . . . . 205 GLY N . 26346 1 310 . 1 . 1 71 71 TRP H H 1 8.112 0.01 . 1 . . . . . 206 TRP H . 26346 1 311 . 1 . 1 71 71 TRP C C 13 178.716 0.01 . 1 . . . . . 206 TRP C . 26346 1 312 . 1 . 1 71 71 TRP CA C 13 59.612 0.3 . 1 . . . . . 206 TRP CA . 26346 1 313 . 1 . 1 71 71 TRP CB C 13 28.888 0.3 . 1 . . . . . 206 TRP CB . 26346 1 314 . 1 . 1 71 71 TRP N N 15 122.615 0.05 . 1 . . . . . 206 TRP N . 26346 1 315 . 1 . 1 72 72 LYS H H 1 7.394 0.01 . 1 . . . . . 207 LYS H . 26346 1 316 . 1 . 1 72 72 LYS C C 13 172.756 0.01 . 1 . . . . . 207 LYS C . 26346 1 317 . 1 . 1 72 72 LYS CA C 13 60.967 0.3 . 1 . . . . . 207 LYS CA . 26346 1 318 . 1 . 1 72 72 LYS CB C 13 31.664 0.3 . 1 . . . . . 207 LYS CB . 26346 1 319 . 1 . 1 72 72 LYS N N 15 122.295 0.05 . 1 . . . . . 207 LYS N . 26346 1 320 . 1 . 1 73 73 ASN H H 1 7.788 0.01 . 1 . . . . . 208 ASN H . 26346 1 321 . 1 . 1 73 73 ASN C C 13 177.880 0.01 . 1 . . . . . 208 ASN C . 26346 1 322 . 1 . 1 73 73 ASN CA C 13 56.338 0.3 . 1 . . . . . 208 ASN CA . 26346 1 323 . 1 . 1 73 73 ASN CB C 13 38.178 0.3 . 1 . . . . . 208 ASN CB . 26346 1 324 . 1 . 1 73 73 ASN N N 15 118.925 0.05 . 1 . . . . . 208 ASN N . 26346 1 325 . 1 . 1 74 74 SER H H 1 8.084 0.01 . 1 . . . . . 209 SER H . 26346 1 326 . 1 . 1 74 74 SER C C 13 177.645 0.01 . 1 . . . . . 209 SER C . 26346 1 327 . 1 . 1 74 74 SER CA C 13 62.529 0.3 . 1 . . . . . 209 SER CA . 26346 1 328 . 1 . 1 74 74 SER CB C 13 66.983 0.3 . 1 . . . . . 209 SER CB . 26346 1 329 . 1 . 1 74 74 SER N N 15 117.394 0.05 . 1 . . . . . 209 SER N . 26346 1 330 . 1 . 1 75 75 ILE H H 1 8.235 0.01 . 1 . . . . . 210 ILE H . 26346 1 331 . 1 . 1 75 75 ILE C C 13 176.492 0.01 . 1 . . . . . 210 ILE C . 26346 1 332 . 1 . 1 75 75 ILE CA C 13 64.840 0.3 . 1 . . . . . 210 ILE CA . 26346 1 333 . 1 . 1 75 75 ILE CB C 13 36.800 0.3 . 1 . . . . . 210 ILE CB . 26346 1 334 . 1 . 1 75 75 ILE N N 15 124.698 0.05 . 1 . . . . . 210 ILE N . 26346 1 335 . 1 . 1 76 76 ARG H H 1 7.824 0.01 . 1 . . . . . 211 ARG H . 26346 1 336 . 1 . 1 76 76 ARG C C 13 178.933 0.01 . 1 . . . . . 211 ARG C . 26346 1 337 . 1 . 1 76 76 ARG CA C 13 60.391 0.3 . 1 . . . . . 211 ARG CA . 26346 1 338 . 1 . 1 76 76 ARG CB C 13 29.875 0.3 . 1 . . . . . 211 ARG CB . 26346 1 339 . 1 . 1 76 76 ARG N N 15 118.763 0.05 . 1 . . . . . 211 ARG N . 26346 1 340 . 1 . 1 77 77 HIS H H 1 8.399 0.01 . 1 . . . . . 212 HIS H . 26346 1 341 . 1 . 1 77 77 HIS C C 13 177.785 0.01 . 1 . . . . . 212 HIS C . 26346 1 342 . 1 . 1 77 77 HIS CA C 13 59.350 0.3 . 1 . . . . . 212 HIS CA . 26346 1 343 . 1 . 1 77 77 HIS CB C 13 30.634 0.3 . 1 . . . . . 212 HIS CB . 26346 1 344 . 1 . 1 77 77 HIS N N 15 117.651 0.05 . 1 . . . . . 212 HIS N . 26346 1 345 . 1 . 1 78 78 ASN H H 1 7.926 0.01 . 1 . . . . . 213 ASN H . 26346 1 346 . 1 . 1 78 78 ASN C C 13 176.934 0.01 . 1 . . . . . 213 ASN C . 26346 1 347 . 1 . 1 78 78 ASN CA C 13 57.759 0.3 . 1 . . . . . 213 ASN CA . 26346 1 348 . 1 . 1 78 78 ASN CB C 13 40.811 0.3 . 1 . . . . . 213 ASN CB . 26346 1 349 . 1 . 1 78 78 ASN N N 15 117.383 0.05 . 1 . . . . . 213 ASN N . 26346 1 350 . 1 . 1 79 79 LEU H H 1 7.833 0.01 . 1 . . . . . 214 LEU H . 26346 1 351 . 1 . 1 79 79 LEU C C 13 176.993 0.01 . 1 . . . . . 214 LEU C . 26346 1 352 . 1 . 1 79 79 LEU CA C 13 57.709 0.3 . 1 . . . . . 214 LEU CA . 26346 1 353 . 1 . 1 79 79 LEU CB C 13 40.783 0.3 . 1 . . . . . 214 LEU CB . 26346 1 354 . 1 . 1 79 79 LEU N N 15 119.710 0.05 . 1 . . . . . 214 LEU N . 26346 1 355 . 1 . 1 80 80 SER H H 1 7.133 0.01 . 1 . . . . . 215 SER H . 26346 1 356 . 1 . 1 80 80 SER C C 13 175.039 0.01 . 1 . . . . . 215 SER C . 26346 1 357 . 1 . 1 80 80 SER CA C 13 60.047 0.3 . 1 . . . . . 215 SER CA . 26346 1 358 . 1 . 1 80 80 SER CB C 13 64.233 0.3 . 1 . . . . . 215 SER CB . 26346 1 359 . 1 . 1 80 80 SER N N 15 109.509 0.05 . 1 . . . . . 215 SER N . 26346 1 360 . 1 . 1 81 81 LEU H H 1 7.429 0.01 . 1 . . . . . 216 LEU H . 26346 1 361 . 1 . 1 81 81 LEU C C 13 177.322 0.01 . 1 . . . . . 216 LEU C . 26346 1 362 . 1 . 1 81 81 LEU CA C 13 55.681 0.1 . 1 . . . . . 216 LEU CA . 26346 1 363 . 1 . 1 81 81 LEU CB C 13 43.262 0.1 . 1 . . . . . 216 LEU CB . 26346 1 364 . 1 . 1 81 81 LEU N N 15 121.109 0.05 . 1 . . . . . 216 LEU N . 26346 1 365 . 1 . 1 83 83 SER C C 13 174.617 0.01 . 1 . . . . . 218 SER C . 26346 1 366 . 1 . 1 83 83 SER CB C 13 63.113 0.3 . 1 . . . . . 218 SER CB . 26346 1 367 . 1 . 1 84 84 ARG H H 1 7.964 0.01 . 1 . . . . . 219 ARG H . 26346 1 368 . 1 . 1 84 84 ARG C C 13 175.587 0.01 . 1 . . . . . 219 ARG C . 26346 1 369 . 1 . 1 84 84 ARG CA C 13 57.307 0.3 . 1 . . . . . 219 ARG CA . 26346 1 370 . 1 . 1 84 84 ARG CB C 13 30.939 0.3 . 1 . . . . . 219 ARG CB . 26346 1 371 . 1 . 1 84 84 ARG N N 15 119.345 0.05 . 1 . . . . . 219 ARG N . 26346 1 372 . 1 . 1 85 85 PHE H H 1 8.023 0.01 . 1 . . . . . 220 PHE H . 26346 1 373 . 1 . 1 85 85 PHE C C 13 174.889 0.01 . 1 . . . . . 220 PHE C . 26346 1 374 . 1 . 1 85 85 PHE CA C 13 55.846 0.3 . 1 . . . . . 220 PHE CA . 26346 1 375 . 1 . 1 85 85 PHE CB C 13 41.928 0.3 . 1 . . . . . 220 PHE CB . 26346 1 376 . 1 . 1 85 85 PHE N N 15 118.213 0.05 . 1 . . . . . 220 PHE N . 26346 1 377 . 1 . 1 86 86 MET H H 1 9.246 0.01 . 1 . . . . . 221 MET H . 26346 1 378 . 1 . 1 86 86 MET CA C 13 54.587 0.3 . 1 . . . . . 221 MET CA . 26346 1 379 . 1 . 1 86 86 MET CB C 13 37.317 0.3 . 1 . . . . . 221 MET CB . 26346 1 380 . 1 . 1 86 86 MET N N 15 120.445 0.05 . 1 . . . . . 221 MET N . 26346 1 381 . 1 . 1 87 87 ARG H H 1 8.183 0.01 . 1 . . . . . 222 ARG H . 26346 1 382 . 1 . 1 87 87 ARG C C 13 176.424 0.01 . 1 . . . . . 222 ARG C . 26346 1 383 . 1 . 1 87 87 ARG CA C 13 54.562 0.3 . 1 . . . . . 222 ARG CA . 26346 1 384 . 1 . 1 87 87 ARG CB C 13 31.150 0.3 . 1 . . . . . 222 ARG CB . 26346 1 385 . 1 . 1 87 87 ARG N N 15 124.995 0.05 . 1 . . . . . 222 ARG N . 26346 1 386 . 1 . 1 88 88 VAL H H 1 9.008 0.01 . 1 . . . . . 223 VAL H . 26346 1 387 . 1 . 1 88 88 VAL C C 13 174.899 0.01 . 1 . . . . . 223 VAL C . 26346 1 388 . 1 . 1 88 88 VAL CA C 13 61.491 0.3 . 1 . . . . . 223 VAL CA . 26346 1 389 . 1 . 1 88 88 VAL CG1 C 13 21.789 0.1 . 2 . . . . . 223 VAL CG1 . 26346 1 390 . 1 . 1 88 88 VAL N N 15 125.550 0.05 . 1 . . . . . 223 VAL N . 26346 1 391 . 1 . 1 89 89 GLN H H 1 8.430 0.01 . 1 . . . . . 224 GLN H . 26346 1 392 . 1 . 1 89 89 GLN C C 13 175.231 0.01 . 1 . . . . . 224 GLN C . 26346 1 393 . 1 . 1 89 89 GLN CA C 13 55.876 0.3 . 1 . . . . . 224 GLN CA . 26346 1 394 . 1 . 1 89 89 GLN CB C 13 30.297 0.3 . 1 . . . . . 224 GLN CB . 26346 1 395 . 1 . 1 89 89 GLN CG C 13 34.576 0.1 . 1 . . . . . 224 GLN CG . 26346 1 396 . 1 . 1 89 89 GLN N N 15 124.058 0.05 . 1 . . . . . 224 GLN N . 26346 1 397 . 1 . 1 90 90 ASN H H 1 8.468 0.01 . 1 . . . . . 225 ASN H . 26346 1 398 . 1 . 1 90 90 ASN C C 13 175.031 0.01 . 1 . . . . . 225 ASN C . 26346 1 399 . 1 . 1 90 90 ASN CA C 13 52.922 0.3 . 1 . . . . . 225 ASN CA . 26346 1 400 . 1 . 1 90 90 ASN CB C 13 39.290 0.3 . 1 . . . . . 225 ASN CB . 26346 1 401 . 1 . 1 90 90 ASN N N 15 121.843 0.05 . 1 . . . . . 225 ASN N . 26346 1 402 . 1 . 1 91 91 GLU H H 1 8.640 0.01 . 1 . . . . . 226 GLU H . 26346 1 403 . 1 . 1 91 91 GLU C C 13 177.054 0.01 . 1 . . . . . 226 GLU C . 26346 1 404 . 1 . 1 91 91 GLU CA C 13 57.474 0.3 . 1 . . . . . 226 GLU CA . 26346 1 405 . 1 . 1 91 91 GLU CB C 13 30.154 0.3 . 1 . . . . . 226 GLU CB . 26346 1 406 . 1 . 1 91 91 GLU CG C 13 36.999 0.1 . 1 . . . . . 226 GLU CG . 26346 1 407 . 1 . 1 91 91 GLU N N 15 122.373 0.05 . 1 . . . . . 226 GLU N . 26346 1 408 . 1 . 1 92 92 GLY H H 1 8.494 0.01 . 1 . . . . . 227 GLY H . 26346 1 409 . 1 . 1 92 92 GLY C C 13 174.499 0.01 . 1 . . . . . 227 GLY C . 26346 1 410 . 1 . 1 92 92 GLY CA C 13 45.401 0.3 . 1 . . . . . 227 GLY CA . 26346 1 411 . 1 . 1 92 92 GLY N N 15 109.447 0.05 . 1 . . . . . 227 GLY N . 26346 1 412 . 1 . 1 93 93 THR H H 1 8.095 0.01 . 1 . . . . . 228 THR H . 26346 1 413 . 1 . 1 93 93 THR C C 13 175.752 0.01 . 1 . . . . . 228 THR C . 26346 1 414 . 1 . 1 93 93 THR CA C 13 62.550 0.3 . 1 . . . . . 228 THR CA . 26346 1 415 . 1 . 1 93 93 THR CB C 13 69.695 0.3 . 1 . . . . . 228 THR CB . 26346 1 416 . 1 . 1 93 93 THR CG2 C 13 22.252 0.1 . 1 . . . . . 228 THR CG2 . 26346 1 417 . 1 . 1 93 93 THR N N 15 113.768 0.05 . 1 . . . . . 228 THR N . 26346 1 418 . 1 . 1 94 94 GLY H H 1 8.519 0.01 . 1 . . . . . 229 GLY H . 26346 1 419 . 1 . 1 94 94 GLY C C 13 174.403 0.01 . 1 . . . . . 229 GLY C . 26346 1 420 . 1 . 1 94 94 GLY CA C 13 45.903 0.3 . 1 . . . . . 229 GLY CA . 26346 1 421 . 1 . 1 94 94 GLY N N 15 112.112 0.05 . 1 . . . . . 229 GLY N . 26346 1 422 . 1 . 1 95 95 LYS H H 1 7.976 0.01 . 1 . . . . . 230 LYS H . 26346 1 423 . 1 . 1 95 95 LYS C C 13 176.679 0.01 . 1 . . . . . 230 LYS C . 26346 1 424 . 1 . 1 95 95 LYS CA C 13 55.961 0.3 . 1 . . . . . 230 LYS CA . 26346 1 425 . 1 . 1 95 95 LYS CB C 13 33.275 0.3 . 1 . . . . . 230 LYS CB . 26346 1 426 . 1 . 1 95 95 LYS N N 15 119.681 0.05 . 1 . . . . . 230 LYS N . 26346 1 427 . 1 . 1 96 96 SER H H 1 8.130 0.01 . 1 . . . . . 231 SER H . 26346 1 428 . 1 . 1 96 96 SER C C 13 173.306 0.01 . 1 . . . . . 231 SER C . 26346 1 429 . 1 . 1 96 96 SER CA C 13 58.448 0.3 . 1 . . . . . 231 SER CA . 26346 1 430 . 1 . 1 96 96 SER CB C 13 64.160 0.3 . 1 . . . . . 231 SER CB . 26346 1 431 . 1 . 1 96 96 SER N N 15 116.655 0.05 . 1 . . . . . 231 SER N . 26346 1 432 . 1 . 1 97 97 SER H H 1 8.115 0.01 . 1 . . . . . 232 SER H . 26346 1 433 . 1 . 1 97 97 SER CA C 13 58.574 0.3 . 1 . . . . . 232 SER CA . 26346 1 434 . 1 . 1 97 97 SER CB C 13 64.252 0.3 . 1 . . . . . 232 SER CB . 26346 1 435 . 1 . 1 97 97 SER N N 15 116.808 0.05 . 1 . . . . . 232 SER N . 26346 1 436 . 1 . 1 98 98 TRP H H 1 8.362 0.01 . 1 . . . . . 233 TRP H . 26346 1 437 . 1 . 1 98 98 TRP C C 13 174.110 0.01 . 1 . . . . . 233 TRP C . 26346 1 438 . 1 . 1 98 98 TRP CA C 13 56.656 0.3 . 1 . . . . . 233 TRP CA . 26346 1 439 . 1 . 1 98 98 TRP CB C 13 32.485 0.3 . 1 . . . . . 233 TRP CB . 26346 1 440 . 1 . 1 98 98 TRP N N 15 120.880 0.05 . 1 . . . . . 233 TRP N . 26346 1 441 . 1 . 1 99 99 TRP H H 1 9.135 0.01 . 1 . . . . . 234 TRP H . 26346 1 442 . 1 . 1 99 99 TRP C C 13 175.346 0.01 . 1 . . . . . 234 TRP C . 26346 1 443 . 1 . 1 99 99 TRP CA C 13 57.166 0.3 . 1 . . . . . 234 TRP CA . 26346 1 444 . 1 . 1 99 99 TRP CB C 13 30.734 0.3 . 1 . . . . . 234 TRP CB . 26346 1 445 . 1 . 1 99 99 TRP N N 15 122.021 0.05 . 1 . . . . . 234 TRP N . 26346 1 446 . 1 . 1 100 100 ILE H H 1 8.942 0.01 . 1 . . . . . 235 ILE H . 26346 1 447 . 1 . 1 100 100 ILE C C 13 176.027 0.01 . 1 . . . . . 235 ILE C . 26346 1 448 . 1 . 1 100 100 ILE CA C 13 59.167 0.3 . 1 . . . . . 235 ILE CA . 26346 1 449 . 1 . 1 100 100 ILE CB C 13 42.671 0.3 . 1 . . . . . 235 ILE CB . 26346 1 450 . 1 . 1 100 100 ILE N N 15 112.762 0.05 . 1 . . . . . 235 ILE N . 26346 1 451 . 1 . 1 101 101 ILE H H 1 8.881 0.01 . 1 . . . . . 236 ILE H . 26346 1 452 . 1 . 1 101 101 ILE C C 13 176.691 0.01 . 1 . . . . . 236 ILE C . 26346 1 453 . 1 . 1 101 101 ILE CA C 13 60.421 0.3 . 1 . . . . . 236 ILE CA . 26346 1 454 . 1 . 1 101 101 ILE CB C 13 37.838 0.3 . 1 . . . . . 236 ILE CB . 26346 1 455 . 1 . 1 101 101 ILE N N 15 121.079 0.05 . 1 . . . . . 236 ILE N . 26346 1 456 . 1 . 1 102 102 ASN H H 1 8.640 0.01 . 1 . . . . . 237 ASN H . 26346 1 457 . 1 . 1 102 102 ASN CA C 13 51.070 0.1 . 1 . . . . . 237 ASN CA . 26346 1 458 . 1 . 1 102 102 ASN CB C 13 39.127 0.1 . 1 . . . . . 237 ASN CB . 26346 1 459 . 1 . 1 102 102 ASN N N 15 126.638 0.05 . 1 . . . . . 237 ASN N . 26346 1 460 . 1 . 1 103 103 PRO C C 13 177.036 0.01 . 1 . . . . . 238 PRO C . 26346 1 461 . 1 . 1 103 103 PRO CA C 13 64.022 0.3 . 1 . . . . . 238 PRO CA . 26346 1 462 . 1 . 1 103 103 PRO CB C 13 32.300 0.3 . 1 . . . . . 238 PRO CB . 26346 1 463 . 1 . 1 103 103 PRO CG C 13 27.635 0.1 . 1 . . . . . 238 PRO CG . 26346 1 464 . 1 . 1 104 104 ASP H H 1 7.964 0.01 . 1 . . . . . 239 ASP H . 26346 1 465 . 1 . 1 104 104 ASP C C 13 176.985 0.01 . 1 . . . . . 239 ASP C . 26346 1 466 . 1 . 1 104 104 ASP CA C 13 54.467 0.3 . 1 . . . . . 239 ASP CA . 26346 1 467 . 1 . 1 104 104 ASP CB C 13 41.342 0.3 . 1 . . . . . 239 ASP CB . 26346 1 468 . 1 . 1 104 104 ASP N N 15 118.590 0.05 . 1 . . . . . 239 ASP N . 26346 1 469 . 1 . 1 105 105 GLY H H 1 7.974 0.01 . 1 . . . . . 240 GLY H . 26346 1 470 . 1 . 1 105 105 GLY C C 13 174.943 0.01 . 1 . . . . . 240 GLY C . 26346 1 471 . 1 . 1 105 105 GLY CA C 13 46.079 0.3 . 1 . . . . . 240 GLY CA . 26346 1 472 . 1 . 1 105 105 GLY N N 15 108.730 0.05 . 1 . . . . . 240 GLY N . 26346 1 473 . 1 . 1 106 106 GLY H H 1 8.267 0.01 . 1 . . . . . 241 GLY H . 26346 1 474 . 1 . 1 106 106 GLY C C 13 174.664 0.01 . 1 . . . . . 241 GLY C . 26346 1 475 . 1 . 1 106 106 GLY CA C 13 45.544 0.3 . 1 . . . . . 241 GLY CA . 26346 1 476 . 1 . 1 106 106 GLY N N 15 108.539 0.05 . 1 . . . . . 241 GLY N . 26346 1 477 . 1 . 1 107 107 LYS H H 1 8.047 0.01 . 1 . . . . . 242 LYS H . 26346 1 478 . 1 . 1 107 107 LYS C C 13 177.022 0.01 . 1 . . . . . 242 LYS C . 26346 1 479 . 1 . 1 107 107 LYS CA C 13 56.737 0.3 . 1 . . . . . 242 LYS CA . 26346 1 480 . 1 . 1 107 107 LYS CB C 13 33.050 0.3 . 1 . . . . . 242 LYS CB . 26346 1 481 . 1 . 1 107 107 LYS N N 15 120.612 0.05 . 1 . . . . . 242 LYS N . 26346 1 482 . 1 . 1 108 108 SER H H 1 8.324 0.01 . 1 . . . . . 243 SER H . 26346 1 483 . 1 . 1 108 108 SER C C 13 175.178 0.01 . 1 . . . . . 243 SER C . 26346 1 484 . 1 . 1 108 108 SER CA C 13 58.684 0.3 . 1 . . . . . 243 SER CA . 26346 1 485 . 1 . 1 108 108 SER CB C 13 63.891 0.3 . 1 . . . . . 243 SER CB . 26346 1 486 . 1 . 1 108 108 SER N N 15 116.077 0.05 . 1 . . . . . 243 SER N . 26346 1 487 . 1 . 1 109 109 GLY H H 1 8.326 0.01 . 1 . . . . . 244 GLY H . 26346 1 488 . 1 . 1 109 109 GLY C C 13 173.999 0.01 . 1 . . . . . 244 GLY C . 26346 1 489 . 1 . 1 109 109 GLY CA C 13 45.539 0.3 . 1 . . . . . 244 GLY CA . 26346 1 490 . 1 . 1 109 109 GLY N N 15 110.693 0.05 . 1 . . . . . 244 GLY N . 26346 1 491 . 1 . 1 110 110 LYS H H 1 8.073 0.01 . 1 . . . . . 245 LYS H . 26346 1 492 . 1 . 1 110 110 LYS C C 13 176.085 0.01 . 1 . . . . . 245 LYS C . 26346 1 493 . 1 . 1 110 110 LYS CA C 13 55.953 0.3 . 1 . . . . . 245 LYS CA . 26346 1 494 . 1 . 1 110 110 LYS CB C 13 33.374 0.3 . 1 . . . . . 245 LYS CB . 26346 1 495 . 1 . 1 110 110 LYS CD C 13 29.802 0.1 . 1 . . . . . 245 LYS CD . 26346 1 496 . 1 . 1 110 110 LYS CG C 13 25.544 0.1 . 1 . . . . . 245 LYS CG . 26346 1 497 . 1 . 1 110 110 LYS N N 15 120.553 0.05 . 1 . . . . . 245 LYS N . 26346 1 498 . 1 . 1 111 111 ALA H H 1 8.252 0.01 . 1 . . . . . 246 ALA H . 26346 1 499 . 1 . 1 111 111 ALA C C 13 175.476 0.01 . 1 . . . . . 246 ALA C . 26346 1 500 . 1 . 1 111 111 ALA CA C 13 50.632 0.1 . 1 . . . . . 246 ALA CA . 26346 1 501 . 1 . 1 111 111 ALA CB C 13 18.254 0.1 . 1 . . . . . 246 ALA CB . 26346 1 502 . 1 . 1 111 111 ALA N N 15 126.474 0.05 . 1 . . . . . 246 ALA N . 26346 1 503 . 1 . 1 112 112 PRO C C 13 176.864 0.01 . 1 . . . . . 247 PRO C . 26346 1 504 . 1 . 1 112 112 PRO CA C 13 63.253 0.3 . 1 . . . . . 247 PRO CA . 26346 1 505 . 1 . 1 112 112 PRO CB C 13 32.238 0.3 . 1 . . . . . 247 PRO CB . 26346 1 506 . 1 . 1 112 112 PRO CD C 13 51.322 0.1 . 1 . . . . . 247 PRO CD . 26346 1 507 . 1 . 1 112 112 PRO CG C 13 28.142 0.1 . 1 . . . . . 247 PRO CG . 26346 1 508 . 1 . 1 113 113 ARG H H 1 8.418 0.01 . 1 . . . . . 248 ARG H . 26346 1 509 . 1 . 1 113 113 ARG C C 13 176.374 0.01 . 1 . . . . . 248 ARG C . 26346 1 510 . 1 . 1 113 113 ARG CA C 13 56.204 0.3 . 1 . . . . . 248 ARG CA . 26346 1 511 . 1 . 1 113 113 ARG CB C 13 31.081 0.3 . 1 . . . . . 248 ARG CB . 26346 1 512 . 1 . 1 113 113 ARG N N 15 121.595 0.05 . 1 . . . . . 248 ARG N . 26346 1 513 . 1 . 1 114 114 ARG H H 1 8.375 0.01 . 1 . . . . . 249 ARG H . 26346 1 514 . 1 . 1 114 114 ARG C C 13 176.106 0.01 . 1 . . . . . 249 ARG C . 26346 1 515 . 1 . 1 114 114 ARG CA C 13 56.122 0.3 . 1 . . . . . 249 ARG CA . 26346 1 516 . 1 . 1 114 114 ARG CB C 13 31.092 0.3 . 1 . . . . . 249 ARG CB . 26346 1 517 . 1 . 1 114 114 ARG CD C 13 44.110 0.1 . 1 . . . . . 249 ARG CD . 26346 1 518 . 1 . 1 114 114 ARG CG C 13 27.880 0.1 . 1 . . . . . 249 ARG CG . 26346 1 519 . 1 . 1 114 114 ARG N N 15 122.847 0.05 . 1 . . . . . 249 ARG N . 26346 1 520 . 1 . 1 115 115 ARG H H 1 8.390 0.01 . 1 . . . . . 250 ARG H . 26346 1 521 . 1 . 1 115 115 ARG C C 13 175.828 0.01 . 1 . . . . . 250 ARG C . 26346 1 522 . 1 . 1 115 115 ARG CA C 13 56.035 0.3 . 1 . . . . . 250 ARG CA . 26346 1 523 . 1 . 1 115 115 ARG CB C 13 31.242 0.3 . 1 . . . . . 250 ARG CB . 26346 1 524 . 1 . 1 115 115 ARG CD C 13 44.199 0.1 . 1 . . . . . 250 ARG CD . 26346 1 525 . 1 . 1 115 115 ARG CG C 13 27.899 0.1 . 1 . . . . . 250 ARG CG . 26346 1 526 . 1 . 1 115 115 ARG N N 15 123.042 0.05 . 1 . . . . . 250 ARG N . 26346 1 527 . 1 . 1 116 116 ALA H H 1 8.372 0.01 . 1 . . . . . 251 ALA H . 26346 1 528 . 1 . 1 116 116 ALA C C 13 177.576 0.01 . 1 . . . . . 251 ALA C . 26346 1 529 . 1 . 1 116 116 ALA CA C 13 52.499 0.3 . 1 . . . . . 251 ALA CA . 26346 1 530 . 1 . 1 116 116 ALA CB C 13 19.418 0.3 . 1 . . . . . 251 ALA CB . 26346 1 531 . 1 . 1 116 116 ALA N N 15 126.124 0.05 . 1 . . . . . 251 ALA N . 26346 1 532 . 1 . 1 117 117 VAL H H 1 8.107 0.01 . 1 . . . . . 252 VAL H . 26346 1 533 . 1 . 1 117 117 VAL C C 13 176.146 0.01 . 1 . . . . . 252 VAL C . 26346 1 534 . 1 . 1 117 117 VAL CA C 13 62.240 0.3 . 1 . . . . . 252 VAL CA . 26346 1 535 . 1 . 1 117 117 VAL CB C 13 33.167 0.3 . 1 . . . . . 252 VAL CB . 26346 1 536 . 1 . 1 117 117 VAL CG1 C 13 21.925 0.1 . 2 . . . . . 252 VAL CG1 . 26346 1 537 . 1 . 1 117 117 VAL N N 15 119.350 0.05 . 1 . . . . . 252 VAL N . 26346 1 538 . 1 . 1 118 118 SER H H 1 8.338 0.01 . 1 . . . . . 253 SER H . 26346 1 539 . 1 . 1 118 118 SER C C 13 174.631 0.01 . 1 . . . . . 253 SER C . 26346 1 540 . 1 . 1 118 118 SER CA C 13 58.269 0.3 . 1 . . . . . 253 SER CA . 26346 1 541 . 1 . 1 118 118 SER CB C 13 63.922 0.3 . 1 . . . . . 253 SER CB . 26346 1 542 . 1 . 1 118 118 SER N N 15 119.160 0.05 . 1 . . . . . 253 SER N . 26346 1 543 . 1 . 1 119 119 MET H H 1 8.442 0.01 . 1 . . . . . 254 MET H . 26346 1 544 . 1 . 1 119 119 MET C C 13 175.862 0.01 . 1 . . . . . 254 MET C . 26346 1 545 . 1 . 1 119 119 MET CA C 13 55.648 0.3 . 1 . . . . . 254 MET CA . 26346 1 546 . 1 . 1 119 119 MET CB C 13 33.060 0.3 . 1 . . . . . 254 MET CB . 26346 1 547 . 1 . 1 119 119 MET N N 15 122.742 0.05 . 1 . . . . . 254 MET N . 26346 1 548 . 1 . 1 120 120 ASP H H 1 8.275 0.01 . 1 . . . . . 255 ASP H . 26346 1 549 . 1 . 1 120 120 ASP C C 13 176.146 0.01 . 1 . . . . . 255 ASP C . 26346 1 550 . 1 . 1 120 120 ASP CA C 13 54.496 0.3 . 1 . . . . . 255 ASP CA . 26346 1 551 . 1 . 1 120 120 ASP CB C 13 41.360 0.3 . 1 . . . . . 255 ASP CB . 26346 1 552 . 1 . 1 120 120 ASP N N 15 121.275 0.05 . 1 . . . . . 255 ASP N . 26346 1 553 . 1 . 1 121 121 ASN H H 1 8.406 0.01 . 1 . . . . . 256 ASN H . 26346 1 554 . 1 . 1 121 121 ASN C C 13 175.761 0.01 . 1 . . . . . 256 ASN C . 26346 1 555 . 1 . 1 121 121 ASN CA C 13 53.543 0.3 . 1 . . . . . 256 ASN CA . 26346 1 556 . 1 . 1 121 121 ASN CB C 13 39.012 0.3 . 1 . . . . . 256 ASN CB . 26346 1 557 . 1 . 1 121 121 ASN N N 15 120.142 0.05 . 1 . . . . . 256 ASN N . 26346 1 558 . 1 . 1 122 122 SER H H 1 8.348 0.01 . 1 . . . . . 257 SER H . 26346 1 559 . 1 . 1 122 122 SER C C 13 174.747 0.01 . 1 . . . . . 257 SER C . 26346 1 560 . 1 . 1 122 122 SER CA C 13 59.493 0.3 . 1 . . . . . 257 SER CA . 26346 1 561 . 1 . 1 122 122 SER CB C 13 63.831 0.3 . 1 . . . . . 257 SER CB . 26346 1 562 . 1 . 1 122 122 SER N N 15 116.080 0.05 . 1 . . . . . 257 SER N . 26346 1 563 . 1 . 1 123 123 ASN H H 1 8.363 0.01 . 1 . . . . . 258 ASN H . 26346 1 564 . 1 . 1 123 123 ASN C C 13 175.425 0.01 . 1 . . . . . 258 ASN C . 26346 1 565 . 1 . 1 123 123 ASN CA C 13 53.734 0.3 . 1 . . . . . 258 ASN CA . 26346 1 566 . 1 . 1 123 123 ASN CB C 13 38.876 0.3 . 1 . . . . . 258 ASN CB . 26346 1 567 . 1 . 1 123 123 ASN N N 15 120.247 0.05 . 1 . . . . . 258 ASN N . 26346 1 568 . 1 . 1 124 124 LYS H H 1 8.044 0.01 . 1 . . . . . 259 LYS H . 26346 1 569 . 1 . 1 124 124 LYS C C 13 176.574 0.01 . 1 . . . . . 259 LYS C . 26346 1 570 . 1 . 1 124 124 LYS CA C 13 57.265 0.3 . 1 . . . . . 259 LYS CA . 26346 1 571 . 1 . 1 124 124 LYS CB C 13 32.909 0.3 . 1 . . . . . 259 LYS CB . 26346 1 572 . 1 . 1 124 124 LYS N N 15 120.688 0.05 . 1 . . . . . 259 LYS N . 26346 1 573 . 1 . 1 125 125 TYR H H 1 8.101 0.01 . 1 . . . . . 260 TYR H . 26346 1 574 . 1 . 1 125 125 TYR C C 13 176.219 0.01 . 1 . . . . . 260 TYR C . 26346 1 575 . 1 . 1 125 125 TYR CA C 13 57.995 0.3 . 1 . . . . . 260 TYR CA . 26346 1 576 . 1 . 1 125 125 TYR CB C 13 38.689 0.3 . 1 . . . . . 260 TYR CB . 26346 1 577 . 1 . 1 125 125 TYR N N 15 119.762 0.05 . 1 . . . . . 260 TYR N . 26346 1 578 . 1 . 1 126 126 THR H H 1 7.916 0.01 . 1 . . . . . 261 THR H . 26346 1 579 . 1 . 1 126 126 THR C C 13 174.596 0.01 . 1 . . . . . 261 THR C . 26346 1 580 . 1 . 1 126 126 THR CA C 13 62.199 0.3 . 1 . . . . . 261 THR CA . 26346 1 581 . 1 . 1 126 126 THR CB C 13 69.940 0.3 . 1 . . . . . 261 THR CB . 26346 1 582 . 1 . 1 126 126 THR CG2 C 13 22.430 0.1 . 1 . . . . . 261 THR CG2 . 26346 1 583 . 1 . 1 126 126 THR N N 15 115.650 0.05 . 1 . . . . . 261 THR N . 26346 1 584 . 1 . 1 127 127 LYS H H 1 8.226 0.01 . 1 . . . . . 262 LYS H . 26346 1 585 . 1 . 1 127 127 LYS C C 13 176.760 0.01 . 1 . . . . . 262 LYS C . 26346 1 586 . 1 . 1 127 127 LYS CA C 13 56.997 0.3 . 1 . . . . . 262 LYS CA . 26346 1 587 . 1 . 1 127 127 LYS CB C 13 33.038 0.3 . 1 . . . . . 262 LYS CB . 26346 1 588 . 1 . 1 127 127 LYS N N 15 123.407 0.05 . 1 . . . . . 262 LYS N . 26346 1 589 . 1 . 1 128 128 SER H H 1 8.259 0.01 . 1 . . . . . 263 SER H . 26346 1 590 . 1 . 1 128 128 SER C C 13 174.760 0.01 . 1 . . . . . 263 SER C . 26346 1 591 . 1 . 1 128 128 SER CA C 13 58.545 0.3 . 1 . . . . . 263 SER CA . 26346 1 592 . 1 . 1 128 128 SER CB C 13 63.839 0.3 . 1 . . . . . 263 SER CB . 26346 1 593 . 1 . 1 128 128 SER N N 15 116.457 0.05 . 1 . . . . . 263 SER N . 26346 1 594 . 1 . 1 129 129 ARG H H 1 8.364 0.01 . 1 . . . . . 264 ARG H . 26346 1 595 . 1 . 1 129 129 ARG C C 13 176.908 0.01 . 1 . . . . . 264 ARG C . 26346 1 596 . 1 . 1 129 129 ARG CA C 13 56.393 0.3 . 1 . . . . . 264 ARG CA . 26346 1 597 . 1 . 1 129 129 ARG CB C 13 30.923 0.3 . 1 . . . . . 264 ARG CB . 26346 1 598 . 1 . 1 129 129 ARG N N 15 122.961 0.05 . 1 . . . . . 264 ARG N . 26346 1 599 . 1 . 1 130 130 GLY H H 1 8.367 0.01 . 1 . . . . . 265 GLY H . 26346 1 600 . 1 . 1 130 130 GLY C C 13 174.230 0.01 . 1 . . . . . 265 GLY C . 26346 1 601 . 1 . 1 130 130 GLY CA C 13 45.507 0.3 . 1 . . . . . 265 GLY CA . 26346 1 602 . 1 . 1 130 130 GLY N N 15 109.602 0.05 . 1 . . . . . 265 GLY N . 26346 1 603 . 1 . 1 131 131 ARG H H 1 8.205 0.01 . 1 . . . . . 266 ARG H . 26346 1 604 . 1 . 1 131 131 ARG C C 13 176.348 0.01 . 1 . . . . . 266 ARG C . 26346 1 605 . 1 . 1 131 131 ARG CA C 13 56.407 0.3 . 1 . . . . . 266 ARG CA . 26346 1 606 . 1 . 1 131 131 ARG CB C 13 30.983 0.3 . 1 . . . . . 266 ARG CB . 26346 1 607 . 1 . 1 131 131 ARG CG C 13 27.806 0.1 . 1 . . . . . 266 ARG CG . 26346 1 608 . 1 . 1 131 131 ARG CD C 13 44.110 0.1 . 1 . . . . . 266 ARG CD . 26346 1 609 . 1 . 1 131 131 ARG N N 15 120.940 0.05 . 1 . . . . . 266 ARG N . 26346 1 610 . 1 . 1 132 132 ALA H H 1 8.304 0.01 . 1 . . . . . 267 ALA H . 26346 1 611 . 1 . 1 132 132 ALA C C 13 177.540 0.01 . 1 . . . . . 267 ALA C . 26346 1 612 . 1 . 1 132 132 ALA CA C 13 52.627 0.3 . 1 . . . . . 267 ALA CA . 26346 1 613 . 1 . 1 132 132 ALA CB C 13 19.299 0.3 . 1 . . . . . 267 ALA CB . 26346 1 614 . 1 . 1 132 132 ALA N N 15 125.036 0.05 . 1 . . . . . 267 ALA N . 26346 1 615 . 1 . 1 133 133 ALA H H 1 8.165 0.01 . 1 . . . . . 268 ALA H . 26346 1 616 . 1 . 1 133 133 ALA C C 13 177.842 0.01 . 1 . . . . . 268 ALA C . 26346 1 617 . 1 . 1 133 133 ALA CA C 13 52.541 0.3 . 1 . . . . . 268 ALA CA . 26346 1 618 . 1 . 1 133 133 ALA CB C 13 19.395 0.3 . 1 . . . . . 268 ALA CB . 26346 1 619 . 1 . 1 133 133 ALA N N 15 123.411 0.05 . 1 . . . . . 268 ALA N . 26346 1 620 . 1 . 1 134 134 LYS H H 1 8.190 0.01 . 1 . . . . . 269 LYS H . 26346 1 621 . 1 . 1 134 134 LYS C C 13 176.704 0.01 . 1 . . . . . 269 LYS C . 26346 1 622 . 1 . 1 134 134 LYS CA C 13 56.455 0.3 . 1 . . . . . 269 LYS CA . 26346 1 623 . 1 . 1 134 134 LYS CB C 13 33.280 0.3 . 1 . . . . . 269 LYS CB . 26346 1 624 . 1 . 1 134 134 LYS N N 15 120.777 0.05 . 1 . . . . . 269 LYS N . 26346 1 625 . 1 . 1 135 135 LYS H H 1 8.255 0.01 . 1 . . . . . 270 LYS H . 26346 1 626 . 1 . 1 135 135 LYS C C 13 176.584 0.01 . 1 . . . . . 270 LYS C . 26346 1 627 . 1 . 1 135 135 LYS CA C 13 56.471 0.3 . 1 . . . . . 270 LYS CA . 26346 1 628 . 1 . 1 135 135 LYS CB C 13 33.326 0.3 . 1 . . . . . 270 LYS CB . 26346 1 629 . 1 . 1 135 135 LYS CD C 13 29.782 0.1 . 1 . . . . . 270 LYS CD . 26346 1 630 . 1 . 1 135 135 LYS CG C 13 25.521 0.1 . 1 . . . . . 270 LYS CG . 26346 1 631 . 1 . 1 135 135 LYS N N 15 122.764 0.05 . 1 . . . . . 270 LYS N . 26346 1 632 . 1 . 1 136 136 LYS H H 1 8.308 0.01 . 1 . . . . . 271 LYS H . 26346 1 633 . 1 . 1 136 136 LYS C C 13 176.344 0.01 . 1 . . . . . 271 LYS C . 26346 1 634 . 1 . 1 136 136 LYS CA C 13 56.592 0.3 . 1 . . . . . 271 LYS CA . 26346 1 635 . 1 . 1 136 136 LYS CB C 13 33.256 0.3 . 1 . . . . . 271 LYS CB . 26346 1 636 . 1 . 1 136 136 LYS CD C 13 29.867 0.1 . 1 . . . . . 271 LYS CD . 26346 1 637 . 1 . 1 136 136 LYS CG C 13 25.541 0.1 . 1 . . . . . 271 LYS CG . 26346 1 638 . 1 . 1 136 136 LYS N N 15 123.027 0.05 . 1 . . . . . 271 LYS N . 26346 1 639 . 1 . 1 137 137 ALA H H 1 8.268 0.01 . 1 . . . . . 272 ALA H . 26346 1 640 . 1 . 1 137 137 ALA C C 13 177.392 0.01 . 1 . . . . . 272 ALA C . 26346 1 641 . 1 . 1 137 137 ALA CA C 13 52.621 0.3 . 1 . . . . . 272 ALA CA . 26346 1 642 . 1 . 1 137 137 ALA CB C 13 19.346 0.3 . 1 . . . . . 272 ALA CB . 26346 1 643 . 1 . 1 137 137 ALA N N 15 125.454 0.05 . 1 . . . . . 272 ALA N . 26346 1 644 . 1 . 1 138 138 ALA H H 1 8.187 0.01 . 1 . . . . . 273 ALA H . 26346 1 645 . 1 . 1 138 138 ALA C C 13 177.639 0.01 . 1 . . . . . 273 ALA C . 26346 1 646 . 1 . 1 138 138 ALA CA C 13 52.549 0.3 . 1 . . . . . 273 ALA CA . 26346 1 647 . 1 . 1 138 138 ALA CB C 13 19.344 0.3 . 1 . . . . . 273 ALA CB . 26346 1 648 . 1 . 1 138 138 ALA N N 15 123.130 0.05 . 1 . . . . . 273 ALA N . 26346 1 649 . 1 . 1 139 139 LEU H H 1 8.094 0.01 . 1 . . . . . 274 LEU H . 26346 1 650 . 1 . 1 139 139 LEU C C 13 177.354 0.01 . 1 . . . . . 274 LEU C . 26346 1 651 . 1 . 1 139 139 LEU CA C 13 55.368 0.3 . 1 . . . . . 274 LEU CA . 26346 1 652 . 1 . 1 139 139 LEU CB C 13 42.604 0.3 . 1 . . . . . 274 LEU CB . 26346 1 653 . 1 . 1 139 139 LEU CD1 C 13 22.992 0.1 . 2 . . . . . 274 LEU CD1 . 26346 1 654 . 1 . 1 139 139 LEU CD2 C 13 21.704 0.1 . 2 . . . . . 274 LEU CD2 . 26346 1 655 . 1 . 1 139 139 LEU CG C 13 27.819 0.1 . 1 . . . . . 274 LEU CG . 26346 1 656 . 1 . 1 139 139 LEU N N 15 120.694 0.05 . 1 . . . . . 274 LEU N . 26346 1 657 . 1 . 1 140 140 GLN H H 1 8.325 0.01 . 1 . . . . . 275 GLN H . 26346 1 658 . 1 . 1 140 140 GLN C C 13 175.974 0.01 . 1 . . . . . 275 GLN C . 26346 1 659 . 1 . 1 140 140 GLN CA C 13 56.010 0.3 . 1 . . . . . 275 GLN CA . 26346 1 660 . 1 . 1 140 140 GLN CB C 13 29.654 0.3 . 1 . . . . . 275 GLN CB . 26346 1 661 . 1 . 1 140 140 GLN CG C 13 34.651 0.1 . 1 . . . . . 275 GLN CG . 26346 1 662 . 1 . 1 140 140 GLN N N 15 120.862 0.05 . 1 . . . . . 275 GLN N . 26346 1 663 . 1 . 1 141 141 THR H H 1 8.058 0.01 . 1 . . . . . 276 THR H . 26346 1 664 . 1 . 1 141 141 THR C C 13 173.898 0.01 . 1 . . . . . 276 THR C . 26346 1 665 . 1 . 1 141 141 THR CA C 13 61.740 0.3 . 1 . . . . . 276 THR CA . 26346 1 666 . 1 . 1 141 141 THR CB C 13 69.981 0.3 . 1 . . . . . 276 THR CB . 26346 1 667 . 1 . 1 141 141 THR CG2 C 13 22.481 0.1 . 1 . . . . . 276 THR CG2 . 26346 1 668 . 1 . 1 141 141 THR N N 15 114.867 0.05 . 1 . . . . . 276 THR N . 26346 1 669 . 1 . 1 142 142 ALA H H 1 8.238 0.01 . 1 . . . . . 277 ALA H . 26346 1 670 . 1 . 1 142 142 ALA C C 13 175.453 0.01 . 1 . . . . . 277 ALA C . 26346 1 671 . 1 . 1 142 142 ALA CA C 13 50.624 0.1 . 1 . . . . . 277 ALA CA . 26346 1 672 . 1 . 1 142 142 ALA CB C 13 18.442 0.1 . 1 . . . . . 277 ALA CB . 26346 1 673 . 1 . 1 142 142 ALA N N 15 127.391 0.05 . 1 . . . . . 277 ALA N . 26346 1 674 . 1 . 1 143 143 PRO C C 13 177.131 0.01 . 1 . . . . . 278 PRO C . 26346 1 675 . 1 . 1 143 143 PRO CA C 13 63.371 0.3 . 1 . . . . . 278 PRO CA . 26346 1 676 . 1 . 1 143 143 PRO CB C 13 32.183 0.3 . 1 . . . . . 278 PRO CB . 26346 1 677 . 1 . 1 143 143 PRO CD C 13 51.204 0.1 . 1 . . . . . 278 PRO CD . 26346 1 678 . 1 . 1 143 143 PRO CG C 13 28.111 0.1 . 1 . . . . . 278 PRO CG . 26346 1 679 . 1 . 1 144 144 GLU H H 1 8.579 0.01 . 1 . . . . . 279 GLU H . 26346 1 680 . 1 . 1 144 144 GLU C C 13 176.568 0.01 . 1 . . . . . 279 GLU C . 26346 1 681 . 1 . 1 144 144 GLU CA C 13 56.992 0.3 . 1 . . . . . 279 GLU CA . 26346 1 682 . 1 . 1 144 144 GLU CB C 13 30.273 0.3 . 1 . . . . . 279 GLU CB . 26346 1 683 . 1 . 1 144 144 GLU CG C 13 37.102 0.1 . 1 . . . . . 279 GLU CG . 26346 1 684 . 1 . 1 144 144 GLU N N 15 120.568 0.05 . 1 . . . . . 279 GLU N . 26346 1 685 . 1 . 1 145 145 SER H H 1 8.249 0.01 . 1 . . . . . 280 SER H . 26346 1 686 . 1 . 1 145 145 SER C C 13 174.257 0.01 . 1 . . . . . 280 SER C . 26346 1 687 . 1 . 1 145 145 SER CA C 13 58.107 0.3 . 1 . . . . . 280 SER CA . 26346 1 688 . 1 . 1 145 145 SER CB C 13 64.182 0.3 . 1 . . . . . 280 SER CB . 26346 1 689 . 1 . 1 145 145 SER N N 15 116.357 0.05 . 1 . . . . . 280 SER N . 26346 1 690 . 1 . 1 146 146 ALA H H 1 8.350 0.01 . 1 . . . . . 281 ALA H . 26346 1 691 . 1 . 1 146 146 ALA C C 13 177.394 0.01 . 1 . . . . . 281 ALA C . 26346 1 692 . 1 . 1 146 146 ALA CA C 13 52.677 0.3 . 1 . . . . . 281 ALA CA . 26346 1 693 . 1 . 1 146 146 ALA CB C 13 19.513 0.3 . 1 . . . . . 281 ALA CB . 26346 1 694 . 1 . 1 146 146 ALA N N 15 126.202 0.05 . 1 . . . . . 281 ALA N . 26346 1 695 . 1 . 1 147 147 ASP H H 1 8.233 0.01 . 1 . . . . . 282 ASP H . 26346 1 696 . 1 . 1 147 147 ASP C C 13 175.918 0.01 . 1 . . . . . 282 ASP C . 26346 1 697 . 1 . 1 147 147 ASP CA C 13 54.543 0.3 . 1 . . . . . 282 ASP CA . 26346 1 698 . 1 . 1 147 147 ASP CB C 13 41.399 0.3 . 1 . . . . . 282 ASP CB . 26346 1 699 . 1 . 1 147 147 ASP N N 15 119.407 0.05 . 1 . . . . . 282 ASP N . 26346 1 700 . 1 . 1 148 148 ASP H H 1 8.204 0.01 . 1 . . . . . 283 ASP H . 26346 1 701 . 1 . 1 148 148 ASP C C 13 175.457 0.01 . 1 . . . . . 283 ASP C . 26346 1 702 . 1 . 1 148 148 ASP CA C 13 54.295 0.3 . 1 . . . . . 283 ASP CA . 26346 1 703 . 1 . 1 148 148 ASP CB C 13 41.308 0.3 . 1 . . . . . 283 ASP CB . 26346 1 704 . 1 . 1 148 148 ASP N N 15 121.082 0.05 . 1 . . . . . 283 ASP N . 26346 1 705 . 1 . 1 149 149 SER H H 1 7.862 0.01 . 1 . . . . . 284 SER H . 26346 1 706 . 1 . 1 149 149 SER CA C 13 60.513 0.1 . 1 . . . . . 284 SER CA . 26346 1 707 . 1 . 1 149 149 SER CB C 13 64.978 0.1 . 1 . . . . . 284 SER CB . 26346 1 708 . 1 . 1 149 149 SER N N 15 121.190 0.05 . 1 . . . . . 284 SER N . 26346 1 stop_ save_