data_53826 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53826 _Entry.Title ; 1H-15N Chemical shifts of Dsk2 dHS2 (deletion construct) from S. cerevisiae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-05-28 _Entry.Accession_date 2026-05-28 _Entry.Last_release_date 2026-05-29 _Entry.Original_release_date 2026-05-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _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 'Peaks were assigned by transfer from previously deposited Dsk2 backbone assignments BMRB 53439' _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 Nirbhik Acharya . . . 0000-0003-4591-5215 53826 2 Carlos Castaneda . A. . 0000-0001-9634-0867 53826 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53826 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 281 53826 '1H chemical shifts' 281 53826 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 . . 2026-06-29 . original BMRB . 53826 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53439 'Chemical shifts of Dsk2 from S. cerevisiae' 53826 BMRB 53824 '1H-15N Chemical shifts of Dsk2 I45A mutant from S. cerevisiae' 53826 BMRB 53825 '1H-15N Chemical shifts of Dsk2 dHS1 (deletion construct) from S. cerevisiae' 53826 BMRB 53827 '1H-15N Chemical shifts of Dsk2 dHS3 (deletion construct) from S. cerevisiae' 53826 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53826 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1002/advs.75904 _Citation.Full_citation . _Citation.Title ; Intramolecular interactions between folded and disordered regions shape ubiquilin structure and function ; _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'Adv. Sci.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jessica Niblo . K. . . 53826 1 2 Nirbhik Acharya . . . . 53826 1 3 Maxwell Watkins . B. . . 53826 1 4 Carlos Castaneda . A. . . 53826 1 5 Shahar Sukenik . . . . 53826 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53826 _Assembly.ID 1 _Assembly.Name 'Dsk2 dHS2' _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 37989 _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 'Dsk2 dHS2' 1 $entity_1 . . yes native no no . . . 53826 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53826 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSLNIHIKSGQDKWEVNVAP ESTVLQFKEAINKANGIPVA NQRLIYSGKILKDDQTVESY HIQDGHSVHLVKSQPKPQTA SAAGANNATATGAAAGTGAT PNMSSGQSAGFNPLADLTSA RYAGYLNMPSADMFGPDGGA LNNDSNNQDELLRMMENPIF QSQMNEMLSNPQMLDFMIQS NPQLQAMGPQARQMLQSPMF RQMLTNPDMIRQSMQFARMM DPNAGMGSAGGAASAFPAPG GDAPEEGSNTNTTSSSNTGN NAGTNAGTNAGANTAANPNA GNAASTGMPAFDPALLASMF QPPVQASQAEDTRPPEERYE HQLRQLNDMGFFDFDRNVAA LRRSGGSVQGALDSLLNGDV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 1,M 2,S 3,L 4,N 5,I 6,H 7,I 8,K 9,S 10,G 11,Q 12,D 13,K 14,W 15,E 16,V 17,N 18,V 19,A 20,P 21,E 22,S 23,T 24,V 25,L 26,Q 27,F 28,K 29,E 30,A 31,I 32,N 33,K 34,A 35,N 36,G 37,I 38,P 39,V 40,A 41,N 42,Q 43,R 44,L 45,I 46,Y 47,S 48,G 49,K 50,I 51,L 52,K 53,D 54,D 55,Q 56,T 57,V 58,E 59,S 60,Y 61,H 62,I 63,Q 64,D 65,G 66,H 67,S 68,V 69,H 70,L 71,V 72,K 73,S 74,Q 75,P 76,K 77,P 78,Q 79,T 80,A 81,S 82,A 83,A 84,G 85,A 86,N 87,N 88,A 89,T 90,A 91,T 92,G 93,A 94,A 95,A 96,G 97,T 98,G 99,A 100,T 101,P 102,N 103,M 104,S 105,S 106,G 107,Q 108,S 109,A 110,G 111,F 112,N 113,P 114,L 115,A 116,D 117,L 118,T 119,S 120,A 121,R 122,Y 123,A 124,G 125,Y 126,L 127,N 128,M 129,P 130,S 131,A 132,D 133,M 134,F 135,G 136,P 137,D 138,G 139,G 140,A 141,L 142,N 143,N 144,D 145,S 146,N 147,N 148,Q 149,D 150,E 151,L 152,L 153,R 154,M 155,M 156,E 157,N 158,P 159,I 160,F 161,Q 162,S 163,Q 164,M 165,N 166,E 167,M 168,L 169,S 170,N 171,P 172,Q 173,M 174,L 175,D 176,F 177,M 178,I 179,Q 180,S 181,N 182,P 183,Q 184,L 185,Q 186,A 187,M 188,G 189,P 190,Q 191,A 192,R 193,Q 194,M 195,L 196,Q 197,S 198,P 199,M 200,F 201,R 202,Q 203,M 204,L 205,T 206,N 207,P 208,D 209,M 210,I 211,R 212,Q 213,S 214,M 215,Q 216,F 217,A 218,R 219,M 220,M 221,D 222,P 223,N 224,A 225,G 226,M 227,G 228,S 229,A 230,G 231,G 232,A 233,A 234,S 235,A 236,F 237,P 238,A 239,P 240,G 241,G 242,D 243,A 244,P 245,E 246,E 247,G 248,S 249,N 250,T 251,N 252,T 253,T 254,S 255,S 256,S 257,N 258,T 259,G 260,N 261,N 262,A 263,G 264,T 265,N 266,A 267,G 268,T 269,N 270,A 271,G 272,A 273,N 274,T 275,A 276,A 277,N 278,P 292,N 293,A 294,G 295,N 296,A 297,A 298,S 299,T 300,G 301,M 302,P 303,A 304,F 305,D 306,P 307,A 308,L 309,L 310,A 311,S 312,M 313,F 314,Q 315,P 316,P 317,V 318,Q 319,A 320,S 321,Q 322,A 323,E 324,D 325,T 326,R 327,P 328,P 329,E 330,E 331,R 332,Y 333,E 334,H 335,Q 336,L 337,R 338,Q 339,L 340,N 341,D 342,M 343,G 344,F 345,F 346,D 347,F 348,D 349,R 350,N 351,V 352,A 353,A 354,L 355,R 356,R 357,S 358,G 359,G 360,S 361,V 362,Q 363,G 364,A 365,L 366,D 367,S 368,L 369,L 370,N 371,G 372,D 373,V ; _Entity.Polymer_author_seq_details 'The provided sequence is a Dsk2 variant (dHS2) lacking residues 279-291; author sequence numbering retains the wild-type scheme.' _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 360 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'Deletion of residues 279-291' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P48510 . DSK2 . . . . . . . . . . . . . . 53826 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Proteasomal shuttle protein that interacts with ubiquitin, ubiquitin chains, and substrates' 53826 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 53826 1 2 2 SER . 53826 1 3 3 LEU . 53826 1 4 4 ASN . 53826 1 5 5 ILE . 53826 1 6 6 HIS . 53826 1 7 7 ILE . 53826 1 8 8 LYS . 53826 1 9 9 SER . 53826 1 10 10 GLY . 53826 1 11 11 GLN . 53826 1 12 12 ASP . 53826 1 13 13 LYS . 53826 1 14 14 TRP . 53826 1 15 15 GLU . 53826 1 16 16 VAL . 53826 1 17 17 ASN . 53826 1 18 18 VAL . 53826 1 19 19 ALA . 53826 1 20 20 PRO . 53826 1 21 21 GLU . 53826 1 22 22 SER . 53826 1 23 23 THR . 53826 1 24 24 VAL . 53826 1 25 25 LEU . 53826 1 26 26 GLN . 53826 1 27 27 PHE . 53826 1 28 28 LYS . 53826 1 29 29 GLU . 53826 1 30 30 ALA . 53826 1 31 31 ILE . 53826 1 32 32 ASN . 53826 1 33 33 LYS . 53826 1 34 34 ALA . 53826 1 35 35 ASN . 53826 1 36 36 GLY . 53826 1 37 37 ILE . 53826 1 38 38 PRO . 53826 1 39 39 VAL . 53826 1 40 40 ALA . 53826 1 41 41 ASN . 53826 1 42 42 GLN . 53826 1 43 43 ARG . 53826 1 44 44 LEU . 53826 1 45 45 ILE . 53826 1 46 46 TYR . 53826 1 47 47 SER . 53826 1 48 48 GLY . 53826 1 49 49 LYS . 53826 1 50 50 ILE . 53826 1 51 51 LEU . 53826 1 52 52 LYS . 53826 1 53 53 ASP . 53826 1 54 54 ASP . 53826 1 55 55 GLN . 53826 1 56 56 THR . 53826 1 57 57 VAL . 53826 1 58 58 GLU . 53826 1 59 59 SER . 53826 1 60 60 TYR . 53826 1 61 61 HIS . 53826 1 62 62 ILE . 53826 1 63 63 GLN . 53826 1 64 64 ASP . 53826 1 65 65 GLY . 53826 1 66 66 HIS . 53826 1 67 67 SER . 53826 1 68 68 VAL . 53826 1 69 69 HIS . 53826 1 70 70 LEU . 53826 1 71 71 VAL . 53826 1 72 72 LYS . 53826 1 73 73 SER . 53826 1 74 74 GLN . 53826 1 75 75 PRO . 53826 1 76 76 LYS . 53826 1 77 77 PRO . 53826 1 78 78 GLN . 53826 1 79 79 THR . 53826 1 80 80 ALA . 53826 1 81 81 SER . 53826 1 82 82 ALA . 53826 1 83 83 ALA . 53826 1 84 84 GLY . 53826 1 85 85 ALA . 53826 1 86 86 ASN . 53826 1 87 87 ASN . 53826 1 88 88 ALA . 53826 1 89 89 THR . 53826 1 90 90 ALA . 53826 1 91 91 THR . 53826 1 92 92 GLY . 53826 1 93 93 ALA . 53826 1 94 94 ALA . 53826 1 95 95 ALA . 53826 1 96 96 GLY . 53826 1 97 97 THR . 53826 1 98 98 GLY . 53826 1 99 99 ALA . 53826 1 100 100 THR . 53826 1 101 101 PRO . 53826 1 102 102 ASN . 53826 1 103 103 MET . 53826 1 104 104 SER . 53826 1 105 105 SER . 53826 1 106 106 GLY . 53826 1 107 107 GLN . 53826 1 108 108 SER . 53826 1 109 109 ALA . 53826 1 110 110 GLY . 53826 1 111 111 PHE . 53826 1 112 112 ASN . 53826 1 113 113 PRO . 53826 1 114 114 LEU . 53826 1 115 115 ALA . 53826 1 116 116 ASP . 53826 1 117 117 LEU . 53826 1 118 118 THR . 53826 1 119 119 SER . 53826 1 120 120 ALA . 53826 1 121 121 ARG . 53826 1 122 122 TYR . 53826 1 123 123 ALA . 53826 1 124 124 GLY . 53826 1 125 125 TYR . 53826 1 126 126 LEU . 53826 1 127 127 ASN . 53826 1 128 128 MET . 53826 1 129 129 PRO . 53826 1 130 130 SER . 53826 1 131 131 ALA . 53826 1 132 132 ASP . 53826 1 133 133 MET . 53826 1 134 134 PHE . 53826 1 135 135 GLY . 53826 1 136 136 PRO . 53826 1 137 137 ASP . 53826 1 138 138 GLY . 53826 1 139 139 GLY . 53826 1 140 140 ALA . 53826 1 141 141 LEU . 53826 1 142 142 ASN . 53826 1 143 143 ASN . 53826 1 144 144 ASP . 53826 1 145 145 SER . 53826 1 146 146 ASN . 53826 1 147 147 ASN . 53826 1 148 148 GLN . 53826 1 149 149 ASP . 53826 1 150 150 GLU . 53826 1 151 151 LEU . 53826 1 152 152 LEU . 53826 1 153 153 ARG . 53826 1 154 154 MET . 53826 1 155 155 MET . 53826 1 156 156 GLU . 53826 1 157 157 ASN . 53826 1 158 158 PRO . 53826 1 159 159 ILE . 53826 1 160 160 PHE . 53826 1 161 161 GLN . 53826 1 162 162 SER . 53826 1 163 163 GLN . 53826 1 164 164 MET . 53826 1 165 165 ASN . 53826 1 166 166 GLU . 53826 1 167 167 MET . 53826 1 168 168 LEU . 53826 1 169 169 SER . 53826 1 170 170 ASN . 53826 1 171 171 PRO . 53826 1 172 172 GLN . 53826 1 173 173 MET . 53826 1 174 174 LEU . 53826 1 175 175 ASP . 53826 1 176 176 PHE . 53826 1 177 177 MET . 53826 1 178 178 ILE . 53826 1 179 179 GLN . 53826 1 180 180 SER . 53826 1 181 181 ASN . 53826 1 182 182 PRO . 53826 1 183 183 GLN . 53826 1 184 184 LEU . 53826 1 185 185 GLN . 53826 1 186 186 ALA . 53826 1 187 187 MET . 53826 1 188 188 GLY . 53826 1 189 189 PRO . 53826 1 190 190 GLN . 53826 1 191 191 ALA . 53826 1 192 192 ARG . 53826 1 193 193 GLN . 53826 1 194 194 MET . 53826 1 195 195 LEU . 53826 1 196 196 GLN . 53826 1 197 197 SER . 53826 1 198 198 PRO . 53826 1 199 199 MET . 53826 1 200 200 PHE . 53826 1 201 201 ARG . 53826 1 202 202 GLN . 53826 1 203 203 MET . 53826 1 204 204 LEU . 53826 1 205 205 THR . 53826 1 206 206 ASN . 53826 1 207 207 PRO . 53826 1 208 208 ASP . 53826 1 209 209 MET . 53826 1 210 210 ILE . 53826 1 211 211 ARG . 53826 1 212 212 GLN . 53826 1 213 213 SER . 53826 1 214 214 MET . 53826 1 215 215 GLN . 53826 1 216 216 PHE . 53826 1 217 217 ALA . 53826 1 218 218 ARG . 53826 1 219 219 MET . 53826 1 220 220 MET . 53826 1 221 221 ASP . 53826 1 222 222 PRO . 53826 1 223 223 ASN . 53826 1 224 224 ALA . 53826 1 225 225 GLY . 53826 1 226 226 MET . 53826 1 227 227 GLY . 53826 1 228 228 SER . 53826 1 229 229 ALA . 53826 1 230 230 GLY . 53826 1 231 231 GLY . 53826 1 232 232 ALA . 53826 1 233 233 ALA . 53826 1 234 234 SER . 53826 1 235 235 ALA . 53826 1 236 236 PHE . 53826 1 237 237 PRO . 53826 1 238 238 ALA . 53826 1 239 239 PRO . 53826 1 240 240 GLY . 53826 1 241 241 GLY . 53826 1 242 242 ASP . 53826 1 243 243 ALA . 53826 1 244 244 PRO . 53826 1 245 245 GLU . 53826 1 246 246 GLU . 53826 1 247 247 GLY . 53826 1 248 248 SER . 53826 1 249 249 ASN . 53826 1 250 250 THR . 53826 1 251 251 ASN . 53826 1 252 252 THR . 53826 1 253 253 THR . 53826 1 254 254 SER . 53826 1 255 255 SER . 53826 1 256 256 SER . 53826 1 257 257 ASN . 53826 1 258 258 THR . 53826 1 259 259 GLY . 53826 1 260 260 ASN . 53826 1 261 261 ASN . 53826 1 262 262 ALA . 53826 1 263 263 GLY . 53826 1 264 264 THR . 53826 1 265 265 ASN . 53826 1 266 266 ALA . 53826 1 267 267 GLY . 53826 1 268 268 THR . 53826 1 269 269 ASN . 53826 1 270 270 ALA . 53826 1 271 271 GLY . 53826 1 272 272 ALA . 53826 1 273 273 ASN . 53826 1 274 274 THR . 53826 1 275 275 ALA . 53826 1 276 276 ALA . 53826 1 277 277 ASN . 53826 1 278 278 PRO . 53826 1 279 292 ASN . 53826 1 280 293 ALA . 53826 1 281 294 GLY . 53826 1 282 295 ASN . 53826 1 283 296 ALA . 53826 1 284 297 ALA . 53826 1 285 298 SER . 53826 1 286 299 THR . 53826 1 287 300 GLY . 53826 1 288 301 MET . 53826 1 289 302 PRO . 53826 1 290 303 ALA . 53826 1 291 304 PHE . 53826 1 292 305 ASP . 53826 1 293 306 PRO . 53826 1 294 307 ALA . 53826 1 295 308 LEU . 53826 1 296 309 LEU . 53826 1 297 310 ALA . 53826 1 298 311 SER . 53826 1 299 312 MET . 53826 1 300 313 PHE . 53826 1 301 314 GLN . 53826 1 302 315 PRO . 53826 1 303 316 PRO . 53826 1 304 317 VAL . 53826 1 305 318 GLN . 53826 1 306 319 ALA . 53826 1 307 320 SER . 53826 1 308 321 GLN . 53826 1 309 322 ALA . 53826 1 310 323 GLU . 53826 1 311 324 ASP . 53826 1 312 325 THR . 53826 1 313 326 ARG . 53826 1 314 327 PRO . 53826 1 315 328 PRO . 53826 1 316 329 GLU . 53826 1 317 330 GLU . 53826 1 318 331 ARG . 53826 1 319 332 TYR . 53826 1 320 333 GLU . 53826 1 321 334 HIS . 53826 1 322 335 GLN . 53826 1 323 336 LEU . 53826 1 324 337 ARG . 53826 1 325 338 GLN . 53826 1 326 339 LEU . 53826 1 327 340 ASN . 53826 1 328 341 ASP . 53826 1 329 342 MET . 53826 1 330 343 GLY . 53826 1 331 344 PHE . 53826 1 332 345 PHE . 53826 1 333 346 ASP . 53826 1 334 347 PHE . 53826 1 335 348 ASP . 53826 1 336 349 ARG . 53826 1 337 350 ASN . 53826 1 338 351 VAL . 53826 1 339 352 ALA . 53826 1 340 353 ALA . 53826 1 341 354 LEU . 53826 1 342 355 ARG . 53826 1 343 356 ARG . 53826 1 344 357 SER . 53826 1 345 358 GLY . 53826 1 346 359 GLY . 53826 1 347 360 SER . 53826 1 348 361 VAL . 53826 1 349 362 GLN . 53826 1 350 363 GLY . 53826 1 351 364 ALA . 53826 1 352 365 LEU . 53826 1 353 366 ASP . 53826 1 354 367 SER . 53826 1 355 368 LEU . 53826 1 356 369 LEU . 53826 1 357 370 ASN . 53826 1 358 371 GLY . 53826 1 359 372 ASP . 53826 1 360 373 VAL . 53826 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 53826 1 . SER 2 2 53826 1 . LEU 3 3 53826 1 . ASN 4 4 53826 1 . ILE 5 5 53826 1 . HIS 6 6 53826 1 . ILE 7 7 53826 1 . LYS 8 8 53826 1 . SER 9 9 53826 1 . GLY 10 10 53826 1 . GLN 11 11 53826 1 . ASP 12 12 53826 1 . LYS 13 13 53826 1 . TRP 14 14 53826 1 . GLU 15 15 53826 1 . VAL 16 16 53826 1 . ASN 17 17 53826 1 . VAL 18 18 53826 1 . ALA 19 19 53826 1 . PRO 20 20 53826 1 . GLU 21 21 53826 1 . SER 22 22 53826 1 . THR 23 23 53826 1 . VAL 24 24 53826 1 . LEU 25 25 53826 1 . GLN 26 26 53826 1 . PHE 27 27 53826 1 . LYS 28 28 53826 1 . GLU 29 29 53826 1 . ALA 30 30 53826 1 . ILE 31 31 53826 1 . ASN 32 32 53826 1 . LYS 33 33 53826 1 . ALA 34 34 53826 1 . ASN 35 35 53826 1 . GLY 36 36 53826 1 . ILE 37 37 53826 1 . PRO 38 38 53826 1 . VAL 39 39 53826 1 . ALA 40 40 53826 1 . ASN 41 41 53826 1 . GLN 42 42 53826 1 . ARG 43 43 53826 1 . LEU 44 44 53826 1 . ILE 45 45 53826 1 . TYR 46 46 53826 1 . SER 47 47 53826 1 . GLY 48 48 53826 1 . LYS 49 49 53826 1 . ILE 50 50 53826 1 . LEU 51 51 53826 1 . LYS 52 52 53826 1 . ASP 53 53 53826 1 . ASP 54 54 53826 1 . GLN 55 55 53826 1 . THR 56 56 53826 1 . VAL 57 57 53826 1 . GLU 58 58 53826 1 . SER 59 59 53826 1 . TYR 60 60 53826 1 . HIS 61 61 53826 1 . ILE 62 62 53826 1 . GLN 63 63 53826 1 . ASP 64 64 53826 1 . GLY 65 65 53826 1 . HIS 66 66 53826 1 . SER 67 67 53826 1 . VAL 68 68 53826 1 . HIS 69 69 53826 1 . LEU 70 70 53826 1 . VAL 71 71 53826 1 . LYS 72 72 53826 1 . SER 73 73 53826 1 . GLN 74 74 53826 1 . PRO 75 75 53826 1 . LYS 76 76 53826 1 . PRO 77 77 53826 1 . GLN 78 78 53826 1 . THR 79 79 53826 1 . ALA 80 80 53826 1 . SER 81 81 53826 1 . ALA 82 82 53826 1 . ALA 83 83 53826 1 . GLY 84 84 53826 1 . ALA 85 85 53826 1 . ASN 86 86 53826 1 . ASN 87 87 53826 1 . ALA 88 88 53826 1 . THR 89 89 53826 1 . ALA 90 90 53826 1 . THR 91 91 53826 1 . GLY 92 92 53826 1 . ALA 93 93 53826 1 . ALA 94 94 53826 1 . ALA 95 95 53826 1 . GLY 96 96 53826 1 . THR 97 97 53826 1 . GLY 98 98 53826 1 . ALA 99 99 53826 1 . THR 100 100 53826 1 . PRO 101 101 53826 1 . ASN 102 102 53826 1 . MET 103 103 53826 1 . SER 104 104 53826 1 . SER 105 105 53826 1 . GLY 106 106 53826 1 . GLN 107 107 53826 1 . SER 108 108 53826 1 . ALA 109 109 53826 1 . GLY 110 110 53826 1 . PHE 111 111 53826 1 . ASN 112 112 53826 1 . PRO 113 113 53826 1 . LEU 114 114 53826 1 . ALA 115 115 53826 1 . ASP 116 116 53826 1 . LEU 117 117 53826 1 . THR 118 118 53826 1 . SER 119 119 53826 1 . ALA 120 120 53826 1 . ARG 121 121 53826 1 . TYR 122 122 53826 1 . ALA 123 123 53826 1 . GLY 124 124 53826 1 . TYR 125 125 53826 1 . LEU 126 126 53826 1 . ASN 127 127 53826 1 . MET 128 128 53826 1 . PRO 129 129 53826 1 . SER 130 130 53826 1 . ALA 131 131 53826 1 . ASP 132 132 53826 1 . MET 133 133 53826 1 . PHE 134 134 53826 1 . GLY 135 135 53826 1 . PRO 136 136 53826 1 . ASP 137 137 53826 1 . GLY 138 138 53826 1 . GLY 139 139 53826 1 . ALA 140 140 53826 1 . LEU 141 141 53826 1 . ASN 142 142 53826 1 . ASN 143 143 53826 1 . ASP 144 144 53826 1 . SER 145 145 53826 1 . ASN 146 146 53826 1 . ASN 147 147 53826 1 . GLN 148 148 53826 1 . ASP 149 149 53826 1 . GLU 150 150 53826 1 . LEU 151 151 53826 1 . LEU 152 152 53826 1 . ARG 153 153 53826 1 . MET 154 154 53826 1 . MET 155 155 53826 1 . GLU 156 156 53826 1 . ASN 157 157 53826 1 . PRO 158 158 53826 1 . ILE 159 159 53826 1 . PHE 160 160 53826 1 . GLN 161 161 53826 1 . SER 162 162 53826 1 . GLN 163 163 53826 1 . MET 164 164 53826 1 . ASN 165 165 53826 1 . GLU 166 166 53826 1 . MET 167 167 53826 1 . LEU 168 168 53826 1 . SER 169 169 53826 1 . ASN 170 170 53826 1 . PRO 171 171 53826 1 . GLN 172 172 53826 1 . MET 173 173 53826 1 . LEU 174 174 53826 1 . ASP 175 175 53826 1 . PHE 176 176 53826 1 . MET 177 177 53826 1 . ILE 178 178 53826 1 . GLN 179 179 53826 1 . SER 180 180 53826 1 . ASN 181 181 53826 1 . PRO 182 182 53826 1 . GLN 183 183 53826 1 . LEU 184 184 53826 1 . GLN 185 185 53826 1 . ALA 186 186 53826 1 . MET 187 187 53826 1 . GLY 188 188 53826 1 . PRO 189 189 53826 1 . GLN 190 190 53826 1 . ALA 191 191 53826 1 . ARG 192 192 53826 1 . GLN 193 193 53826 1 . MET 194 194 53826 1 . LEU 195 195 53826 1 . GLN 196 196 53826 1 . SER 197 197 53826 1 . PRO 198 198 53826 1 . MET 199 199 53826 1 . PHE 200 200 53826 1 . ARG 201 201 53826 1 . GLN 202 202 53826 1 . MET 203 203 53826 1 . LEU 204 204 53826 1 . THR 205 205 53826 1 . ASN 206 206 53826 1 . PRO 207 207 53826 1 . ASP 208 208 53826 1 . MET 209 209 53826 1 . ILE 210 210 53826 1 . ARG 211 211 53826 1 . GLN 212 212 53826 1 . SER 213 213 53826 1 . MET 214 214 53826 1 . GLN 215 215 53826 1 . PHE 216 216 53826 1 . ALA 217 217 53826 1 . ARG 218 218 53826 1 . MET 219 219 53826 1 . MET 220 220 53826 1 . ASP 221 221 53826 1 . PRO 222 222 53826 1 . ASN 223 223 53826 1 . ALA 224 224 53826 1 . GLY 225 225 53826 1 . MET 226 226 53826 1 . GLY 227 227 53826 1 . SER 228 228 53826 1 . ALA 229 229 53826 1 . GLY 230 230 53826 1 . GLY 231 231 53826 1 . ALA 232 232 53826 1 . ALA 233 233 53826 1 . SER 234 234 53826 1 . ALA 235 235 53826 1 . PHE 236 236 53826 1 . PRO 237 237 53826 1 . ALA 238 238 53826 1 . PRO 239 239 53826 1 . GLY 240 240 53826 1 . GLY 241 241 53826 1 . ASP 242 242 53826 1 . ALA 243 243 53826 1 . PRO 244 244 53826 1 . GLU 245 245 53826 1 . GLU 246 246 53826 1 . GLY 247 247 53826 1 . SER 248 248 53826 1 . ASN 249 249 53826 1 . THR 250 250 53826 1 . ASN 251 251 53826 1 . THR 252 252 53826 1 . THR 253 253 53826 1 . SER 254 254 53826 1 . SER 255 255 53826 1 . SER 256 256 53826 1 . ASN 257 257 53826 1 . THR 258 258 53826 1 . GLY 259 259 53826 1 . ASN 260 260 53826 1 . ASN 261 261 53826 1 . ALA 262 262 53826 1 . GLY 263 263 53826 1 . THR 264 264 53826 1 . ASN 265 265 53826 1 . ALA 266 266 53826 1 . GLY 267 267 53826 1 . THR 268 268 53826 1 . ASN 269 269 53826 1 . ALA 270 270 53826 1 . GLY 271 271 53826 1 . ALA 272 272 53826 1 . ASN 273 273 53826 1 . THR 274 274 53826 1 . ALA 275 275 53826 1 . ALA 276 276 53826 1 . ASN 277 277 53826 1 . PRO 278 278 53826 1 . ASN 279 279 53826 1 . ALA 280 280 53826 1 . GLY 281 281 53826 1 . ASN 282 282 53826 1 . ALA 283 283 53826 1 . ALA 284 284 53826 1 . SER 285 285 53826 1 . THR 286 286 53826 1 . GLY 287 287 53826 1 . MET 288 288 53826 1 . PRO 289 289 53826 1 . ALA 290 290 53826 1 . PHE 291 291 53826 1 . ASP 292 292 53826 1 . PRO 293 293 53826 1 . ALA 294 294 53826 1 . LEU 295 295 53826 1 . LEU 296 296 53826 1 . ALA 297 297 53826 1 . SER 298 298 53826 1 . MET 299 299 53826 1 . PHE 300 300 53826 1 . GLN 301 301 53826 1 . PRO 302 302 53826 1 . PRO 303 303 53826 1 . VAL 304 304 53826 1 . GLN 305 305 53826 1 . ALA 306 306 53826 1 . SER 307 307 53826 1 . GLN 308 308 53826 1 . ALA 309 309 53826 1 . GLU 310 310 53826 1 . ASP 311 311 53826 1 . THR 312 312 53826 1 . ARG 313 313 53826 1 . PRO 314 314 53826 1 . PRO 315 315 53826 1 . GLU 316 316 53826 1 . GLU 317 317 53826 1 . ARG 318 318 53826 1 . TYR 319 319 53826 1 . GLU 320 320 53826 1 . HIS 321 321 53826 1 . GLN 322 322 53826 1 . LEU 323 323 53826 1 . ARG 324 324 53826 1 . GLN 325 325 53826 1 . LEU 326 326 53826 1 . ASN 327 327 53826 1 . ASP 328 328 53826 1 . MET 329 329 53826 1 . GLY 330 330 53826 1 . PHE 331 331 53826 1 . PHE 332 332 53826 1 . ASP 333 333 53826 1 . PHE 334 334 53826 1 . ASP 335 335 53826 1 . ARG 336 336 53826 1 . ASN 337 337 53826 1 . VAL 338 338 53826 1 . ALA 339 339 53826 1 . ALA 340 340 53826 1 . LEU 341 341 53826 1 . ARG 342 342 53826 1 . ARG 343 343 53826 1 . SER 344 344 53826 1 . GLY 345 345 53826 1 . GLY 346 346 53826 1 . SER 347 347 53826 1 . VAL 348 348 53826 1 . GLN 349 349 53826 1 . GLY 350 350 53826 1 . ALA 351 351 53826 1 . LEU 352 352 53826 1 . ASP 353 353 53826 1 . SER 354 354 53826 1 . LEU 355 355 53826 1 . LEU 356 356 53826 1 . ASN 357 357 53826 1 . GLY 358 358 53826 1 . ASP 359 359 53826 1 . VAL 360 360 53826 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 53826 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 53826 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 53826 _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' . . . Escherichia coli . . . plasmid . . pE-SUMO . . . 53826 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53826 _Sample.ID 1 _Sample.Name 15N_Dsk2_dHS2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Dsk2 dHS2' '[U-99% 15N]' . . 1 $entity_1 . . 50 . . uM . . . . 53826 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 53826 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 53826 1 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 53826 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 53826 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Buffer conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 53826 1 pH 6.8 . pH 53826 1 pressure 1 . atm 53826 1 temperature 298.15 . K 53826 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53826 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53826 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53826 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53826 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 53826 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 53826 _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 TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53826 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 53826 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Reference Set Name' _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 53826 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53826 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 53826 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Dsk2 dHS2' _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 TROSY' . . . 53826 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 . . 53826 1 2 $software_2 . . 53826 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 3 3 LEU H H 1 8.848 . . . . . . . . 3 L HN . 53826 1 2 . 1 . 1 3 3 LEU N N 15 122.921 . . . . . . . . 3 L N . 53826 1 3 . 1 . 1 4 4 ASN H H 1 8.993 . . . . . . . . 4 N HN . 53826 1 4 . 1 . 1 4 4 ASN N N 15 122.475 . . . . . . . . 4 N N . 53826 1 5 . 1 . 1 5 5 ILE H H 1 8.827 . . . . . . . . 5 I HN . 53826 1 6 . 1 . 1 5 5 ILE N N 15 125.962 . . . . . . . . 5 I N . 53826 1 7 . 1 . 1 6 6 HIS H H 1 8.601 . . . . . . . . 6 H HN . 53826 1 8 . 1 . 1 6 6 HIS N N 15 125.280 . . . . . . . . 6 H N . 53826 1 9 . 1 . 1 7 7 ILE H H 1 9.498 . . . . . . . . 7 I HN . 53826 1 10 . 1 . 1 7 7 ILE N N 15 125.332 . . . . . . . . 7 I N . 53826 1 11 . 1 . 1 8 8 LYS H H 1 8.582 . . . . . . . . 8 K HN . 53826 1 12 . 1 . 1 8 8 LYS N N 15 125.579 . . . . . . . . 8 K N . 53826 1 13 . 1 . 1 9 9 SER H H 1 8.255 . . . . . . . . 9 S HN . 53826 1 14 . 1 . 1 9 9 SER N N 15 117.844 . . . . . . . . 9 S N . 53826 1 15 . 1 . 1 11 11 GLN H H 1 9.140 . . . . . . . . 11 Q HN . 53826 1 16 . 1 . 1 11 11 GLN N N 15 126.494 . . . . . . . . 11 Q N . 53826 1 17 . 1 . 1 12 12 ASP H H 1 8.070 . . . . . . . . 12 D HN . 53826 1 18 . 1 . 1 12 12 ASP N N 15 120.761 . . . . . . . . 12 D N . 53826 1 19 . 1 . 1 13 13 LYS H H 1 7.596 . . . . . . . . 13 K HN . 53826 1 20 . 1 . 1 13 13 LYS N N 15 119.676 . . . . . . . . 13 K N . 53826 1 21 . 1 . 1 14 14 TRP H H 1 9.070 . . . . . . . . 14 W HN . 53826 1 22 . 1 . 1 14 14 TRP N N 15 121.453 . . . . . . . . 14 W N . 53826 1 23 . 1 . 1 15 15 GLU H H 1 8.731 . . . . . . . . 15 E HN . 53826 1 24 . 1 . 1 15 15 GLU N N 15 122.319 . . . . . . . . 15 E N . 53826 1 25 . 1 . 1 16 16 VAL H H 1 8.756 . . . . . . . . 16 V HN . 53826 1 26 . 1 . 1 16 16 VAL N N 15 119.486 . . . . . . . . 16 V N . 53826 1 27 . 1 . 1 17 17 ASN H H 1 8.451 . . . . . . . . 17 N HN . 53826 1 28 . 1 . 1 17 17 ASN N N 15 123.423 . . . . . . . . 17 N N . 53826 1 29 . 1 . 1 18 18 VAL H H 1 8.824 . . . . . . . . 18 V HN . 53826 1 30 . 1 . 1 18 18 VAL N N 15 119.224 . . . . . . . . 18 V N . 53826 1 31 . 1 . 1 19 19 ALA H H 1 8.425 . . . . . . . . 19 A HN . 53826 1 32 . 1 . 1 19 19 ALA N N 15 128.257 . . . . . . . . 19 A N . 53826 1 33 . 1 . 1 21 21 GLU H H 1 8.851 . . . . . . . . 21 E HN . 53826 1 34 . 1 . 1 21 21 GLU N N 15 112.694 . . . . . . . . 21 E N . 53826 1 35 . 1 . 1 22 22 SER H H 1 7.692 . . . . . . . . 22 S HN . 53826 1 36 . 1 . 1 22 22 SER N N 15 117.154 . . . . . . . . 22 S N . 53826 1 37 . 1 . 1 23 23 THR H H 1 8.790 . . . . . . . . 23 T HN . 53826 1 38 . 1 . 1 23 23 THR N N 15 113.296 . . . . . . . . 23 T N . 53826 1 39 . 1 . 1 24 24 VAL H H 1 9.121 . . . . . . . . 24 V HN . 53826 1 40 . 1 . 1 24 24 VAL N N 15 123.889 . . . . . . . . 24 V N . 53826 1 41 . 1 . 1 25 25 LEU H H 1 8.383 . . . . . . . . 25 L HN . 53826 1 42 . 1 . 1 25 25 LEU N N 15 122.734 . . . . . . . . 25 L N . 53826 1 43 . 1 . 1 26 26 GLN H H 1 7.778 . . . . . . . . 26 Q HN . 53826 1 44 . 1 . 1 26 26 GLN N N 15 118.148 . . . . . . . . 26 Q N . 53826 1 45 . 1 . 1 27 27 PHE H H 1 8.732 . . . . . . . . 27 F HN . 53826 1 46 . 1 . 1 27 27 PHE N N 15 124.729 . . . . . . . . 27 F N . 53826 1 47 . 1 . 1 28 28 LYS H H 1 8.869 . . . . . . . . 28 K HN . 53826 1 48 . 1 . 1 28 28 LYS N N 15 120.296 . . . . . . . . 28 K N . 53826 1 49 . 1 . 1 29 29 GLU H H 1 8.363 . . . . . . . . 29 E HN . 53826 1 50 . 1 . 1 29 29 GLU N N 15 121.496 . . . . . . . . 29 E N . 53826 1 51 . 1 . 1 30 30 ALA H H 1 7.984 . . . . . . . . 30 A HN . 53826 1 52 . 1 . 1 30 30 ALA N N 15 124.276 . . . . . . . . 30 A N . 53826 1 53 . 1 . 1 31 31 ILE H H 1 8.586 . . . . . . . . 31 I HN . 53826 1 54 . 1 . 1 31 31 ILE N N 15 121.926 . . . . . . . . 31 I N . 53826 1 55 . 1 . 1 32 32 ASN H H 1 8.514 . . . . . . . . 32 N HN . 53826 1 56 . 1 . 1 32 32 ASN N N 15 117.728 . . . . . . . . 32 N N . 53826 1 57 . 1 . 1 33 33 LYS H H 1 7.790 . . . . . . . . 33 K HN . 53826 1 58 . 1 . 1 33 33 LYS N N 15 119.610 . . . . . . . . 33 K N . 53826 1 59 . 1 . 1 34 34 ALA H H 1 7.325 . . . . . . . . 34 A HN . 53826 1 60 . 1 . 1 34 34 ALA N N 15 119.903 . . . . . . . . 34 A N . 53826 1 61 . 1 . 1 35 35 ASN H H 1 8.125 . . . . . . . . 35 N HN . 53826 1 62 . 1 . 1 35 35 ASN N N 15 111.507 . . . . . . . . 35 N N . 53826 1 63 . 1 . 1 36 36 GLY H H 1 8.701 . . . . . . . . 36 G HN . 53826 1 64 . 1 . 1 36 36 GLY N N 15 110.050 . . . . . . . . 36 G N . 53826 1 65 . 1 . 1 37 37 ILE H H 1 7.922 . . . . . . . . 37 I HN . 53826 1 66 . 1 . 1 37 37 ILE N N 15 124.299 . . . . . . . . 37 I N . 53826 1 67 . 1 . 1 39 39 VAL H H 1 8.731 . . . . . . . . 39 V HN . 53826 1 68 . 1 . 1 39 39 VAL N N 15 124.819 . . . . . . . . 39 V N . 53826 1 69 . 1 . 1 40 40 ALA H H 1 8.674 . . . . . . . . 40 A HN . 53826 1 70 . 1 . 1 40 40 ALA N N 15 118.606 . . . . . . . . 40 A N . 53826 1 71 . 1 . 1 41 41 ASN H H 1 7.699 . . . . . . . . 41 N HN . 53826 1 72 . 1 . 1 41 41 ASN N N 15 113.683 . . . . . . . . 41 N N . 53826 1 73 . 1 . 1 42 42 GLN H H 1 7.302 . . . . . . . . 42 Q HN . 53826 1 74 . 1 . 1 42 42 GLN N N 15 118.362 . . . . . . . . 42 Q N . 53826 1 75 . 1 . 1 43 43 ARG H H 1 8.120 . . . . . . . . 43 R HN . 53826 1 76 . 1 . 1 43 43 ARG N N 15 124.379 . . . . . . . . 43 R N . 53826 1 77 . 1 . 1 45 45 ILE H H 1 9.314 . . . . . . . . 45 I HN . 53826 1 78 . 1 . 1 45 45 ILE N N 15 122.353 . . . . . . . . 45 I N . 53826 1 79 . 1 . 1 46 46 TYR H H 1 8.968 . . . . . . . . 46 Y HN . 53826 1 80 . 1 . 1 46 46 TYR N N 15 126.613 . . . . . . . . 46 Y N . 53826 1 81 . 1 . 1 48 48 GLY H H 1 8.382 . . . . . . . . 48 G HN . 53826 1 82 . 1 . 1 48 48 GLY N N 15 103.909 . . . . . . . . 48 G N . 53826 1 83 . 1 . 1 51 51 LEU H H 1 8.517 . . . . . . . . 51 L HN . 53826 1 84 . 1 . 1 51 51 LEU N N 15 126.919 . . . . . . . . 51 L N . 53826 1 85 . 1 . 1 52 52 LYS H H 1 8.443 . . . . . . . . 52 K HN . 53826 1 86 . 1 . 1 52 52 LYS N N 15 124.222 . . . . . . . . 52 K N . 53826 1 87 . 1 . 1 53 53 ASP H H 1 8.154 . . . . . . . . 53 D HN . 53826 1 88 . 1 . 1 53 53 ASP N N 15 120.983 . . . . . . . . 53 D N . 53826 1 89 . 1 . 1 54 54 ASP H H 1 8.344 . . . . . . . . 54 D HN . 53826 1 90 . 1 . 1 54 54 ASP N N 15 113.369 . . . . . . . . 54 D N . 53826 1 91 . 1 . 1 55 55 GLN H H 1 7.806 . . . . . . . . 55 Q HN . 53826 1 92 . 1 . 1 55 55 GLN N N 15 119.424 . . . . . . . . 55 Q N . 53826 1 93 . 1 . 1 56 56 THR H H 1 8.321 . . . . . . . . 56 T HN . 53826 1 94 . 1 . 1 56 56 THR N N 15 108.400 . . . . . . . . 56 T N . 53826 1 95 . 1 . 1 57 57 VAL H H 1 8.799 . . . . . . . . 57 V HN . 53826 1 96 . 1 . 1 57 57 VAL N N 15 123.635 . . . . . . . . 57 V N . 53826 1 97 . 1 . 1 58 58 GLU H H 1 8.685 . . . . . . . . 58 E HN . 53826 1 98 . 1 . 1 58 58 GLU N N 15 117.267 . . . . . . . . 58 E N . 53826 1 99 . 1 . 1 59 59 SER H H 1 7.899 . . . . . . . . 59 S HN . 53826 1 100 . 1 . 1 59 59 SER N N 15 118.594 . . . . . . . . 59 S N . 53826 1 101 . 1 . 1 60 60 TYR H H 1 7.225 . . . . . . . . 60 Y HN . 53826 1 102 . 1 . 1 60 60 TYR N N 15 118.997 . . . . . . . . 60 Y N . 53826 1 103 . 1 . 1 61 61 HIS H H 1 8.160 . . . . . . . . 61 H HN . 53826 1 104 . 1 . 1 61 61 HIS N N 15 113.299 . . . . . . . . 61 H N . 53826 1 105 . 1 . 1 62 62 ILE H H 1 6.572 . . . . . . . . 62 I HN . 53826 1 106 . 1 . 1 62 62 ILE N N 15 118.585 . . . . . . . . 62 I N . 53826 1 107 . 1 . 1 63 63 GLN H H 1 6.131 . . . . . . . . 63 Q HN . 53826 1 108 . 1 . 1 63 63 GLN N N 15 123.601 . . . . . . . . 63 Q N . 53826 1 109 . 1 . 1 65 65 GLY H H 1 9.289 . . . . . . . . 65 G HN . 53826 1 110 . 1 . 1 65 65 GLY N N 15 113.886 . . . . . . . . 65 G N . 53826 1 111 . 1 . 1 66 66 HIS H H 1 8.122 . . . . . . . . 66 H HN . 53826 1 112 . 1 . 1 66 66 HIS N N 15 120.161 . . . . . . . . 66 H N . 53826 1 113 . 1 . 1 67 67 SER H H 1 8.660 . . . . . . . . 67 S HN . 53826 1 114 . 1 . 1 67 67 SER N N 15 113.052 . . . . . . . . 67 S N . 53826 1 115 . 1 . 1 68 68 VAL H H 1 9.083 . . . . . . . . 68 V HN . 53826 1 116 . 1 . 1 68 68 VAL N N 15 122.970 . . . . . . . . 68 V N . 53826 1 117 . 1 . 1 69 69 HIS H H 1 9.024 . . . . . . . . 69 H HN . 53826 1 118 . 1 . 1 69 69 HIS N N 15 125.930 . . . . . . . . 69 H N . 53826 1 119 . 1 . 1 70 70 LEU H H 1 8.979 . . . . . . . . 70 L HN . 53826 1 120 . 1 . 1 70 70 LEU N N 15 125.248 . . . . . . . . 70 L N . 53826 1 121 . 1 . 1 71 71 VAL H H 1 9.434 . . . . . . . . 71 V HN . 53826 1 122 . 1 . 1 71 71 VAL N N 15 130.067 . . . . . . . . 71 V N . 53826 1 123 . 1 . 1 72 72 LYS H H 1 8.670 . . . . . . . . 72 K HN . 53826 1 124 . 1 . 1 72 72 LYS N N 15 127.101 . . . . . . . . 72 K N . 53826 1 125 . 1 . 1 73 73 SER H H 1 8.680 . . . . . . . . 73 S HN . 53826 1 126 . 1 . 1 73 73 SER N N 15 120.178 . . . . . . . . 73 S N . 53826 1 127 . 1 . 1 74 74 GLN H H 1 8.470 . . . . . . . . 74 Q HN . 53826 1 128 . 1 . 1 74 74 GLN N N 15 122.861 . . . . . . . . 74 Q N . 53826 1 129 . 1 . 1 76 76 LYS H H 1 8.420 . . . . . . . . 76 K HN . 53826 1 130 . 1 . 1 76 76 LYS N N 15 123.052 . . . . . . . . 76 K N . 53826 1 131 . 1 . 1 78 78 GLN H H 1 8.579 . . . . . . . . 78 Q HN . 53826 1 132 . 1 . 1 78 78 GLN N N 15 121.184 . . . . . . . . 78 Q N . 53826 1 133 . 1 . 1 79 79 THR H H 1 8.144 . . . . . . . . 79 T HN . 53826 1 134 . 1 . 1 79 79 THR N N 15 115.475 . . . . . . . . 79 T N . 53826 1 135 . 1 . 1 80 80 ALA H H 1 8.405 . . . . . . . . 80 A HN . 53826 1 136 . 1 . 1 80 80 ALA N N 15 126.645 . . . . . . . . 80 A N . 53826 1 137 . 1 . 1 81 81 SER H H 1 8.284 . . . . . . . . 81 S HN . 53826 1 138 . 1 . 1 81 81 SER N N 15 115.230 . . . . . . . . 81 S N . 53826 1 139 . 1 . 1 82 82 ALA H H 1 8.331 . . . . . . . . 82 A HN . 53826 1 140 . 1 . 1 82 82 ALA N N 15 126.362 . . . . . . . . 82 A N . 53826 1 141 . 1 . 1 83 83 ALA H H 1 8.230 . . . . . . . . 83 A HN . 53826 1 142 . 1 . 1 83 83 ALA N N 15 123.198 . . . . . . . . 83 A N . 53826 1 143 . 1 . 1 84 84 GLY H H 1 8.282 . . . . . . . . 84 G HN . 53826 1 144 . 1 . 1 84 84 GLY N N 15 108.129 . . . . . . . . 84 G N . 53826 1 145 . 1 . 1 85 85 ALA H H 1 8.103 . . . . . . . . 85 A HN . 53826 1 146 . 1 . 1 85 85 ALA N N 15 123.561 . . . . . . . . 85 A N . 53826 1 147 . 1 . 1 86 86 ASN H H 1 8.432 . . . . . . . . 86 N HN . 53826 1 148 . 1 . 1 86 86 ASN N N 15 117.596 . . . . . . . . 86 N N . 53826 1 149 . 1 . 1 87 87 ASN H H 1 8.318 . . . . . . . . 87 N HN . 53826 1 150 . 1 . 1 87 87 ASN N N 15 119.244 . . . . . . . . 87 N N . 53826 1 151 . 1 . 1 88 88 ALA H H 1 8.261 . . . . . . . . 88 A HN . 53826 1 152 . 1 . 1 88 88 ALA N N 15 124.130 . . . . . . . . 88 A N . 53826 1 153 . 1 . 1 89 89 THR H H 1 8.078 . . . . . . . . 89 T HN . 53826 1 154 . 1 . 1 89 89 THR N N 15 112.779 . . . . . . . . 89 T N . 53826 1 155 . 1 . 1 90 90 ALA H H 1 8.283 . . . . . . . . 90 A HN . 53826 1 156 . 1 . 1 90 90 ALA N N 15 126.423 . . . . . . . . 90 A N . 53826 1 157 . 1 . 1 91 91 THR H H 1 8.117 . . . . . . . . 91 T HN . 53826 1 158 . 1 . 1 91 91 THR N N 15 112.689 . . . . . . . . 91 T N . 53826 1 159 . 1 . 1 92 92 GLY H H 1 8.346 . . . . . . . . 92 G HN . 53826 1 160 . 1 . 1 92 92 GLY N N 15 111.161 . . . . . . . . 92 G N . 53826 1 161 . 1 . 1 93 93 ALA H H 1 8.146 . . . . . . . . 93 A HN . 53826 1 162 . 1 . 1 93 93 ALA N N 15 124.031 . . . . . . . . 93 A N . 53826 1 163 . 1 . 1 94 94 ALA H H 1 8.261 . . . . . . . . 94 A HN . 53826 1 164 . 1 . 1 94 94 ALA N N 15 123.158 . . . . . . . . 94 A N . 53826 1 165 . 1 . 1 95 95 ALA H H 1 8.217 . . . . . . . . 95 A HN . 53826 1 166 . 1 . 1 95 95 ALA N N 15 123.261 . . . . . . . . 95 A N . 53826 1 167 . 1 . 1 96 96 GLY H H 1 8.339 . . . . . . . . 96 G HN . 53826 1 168 . 1 . 1 96 96 GLY N N 15 107.994 . . . . . . . . 96 G N . 53826 1 169 . 1 . 1 97 97 THR H H 1 8.088 . . . . . . . . 97 T HN . 53826 1 170 . 1 . 1 97 97 THR N N 15 112.824 . . . . . . . . 97 T N . 53826 1 171 . 1 . 1 98 98 GLY H H 1 8.478 . . . . . . . . 98 G HN . 53826 1 172 . 1 . 1 98 98 GLY N N 15 111.317 . . . . . . . . 98 G N . 53826 1 173 . 1 . 1 99 99 ALA H H 1 8.115 . . . . . . . . 99 A HN . 53826 1 174 . 1 . 1 99 99 ALA N N 15 123.606 . . . . . . . . 99 A N . 53826 1 175 . 1 . 1 100 100 THR H H 1 8.186 . . . . . . . . 100 T HN . 53826 1 176 . 1 . 1 100 100 THR N N 15 115.815 . . . . . . . . 100 T N . 53826 1 177 . 1 . 1 102 102 ASN H H 1 8.503 . . . . . . . . 102 N HN . 53826 1 178 . 1 . 1 102 102 ASN N N 15 118.512 . . . . . . . . 102 N N . 53826 1 179 . 1 . 1 103 103 MET H H 1 8.351 . . . . . . . . 103 M HN . 53826 1 180 . 1 . 1 103 103 MET N N 15 121.185 . . . . . . . . 103 M N . 53826 1 181 . 1 . 1 104 104 SER H H 1 8.364 . . . . . . . . 104 S HN . 53826 1 182 . 1 . 1 104 104 SER N N 15 116.849 . . . . . . . . 104 S N . 53826 1 183 . 1 . 1 105 105 SER H H 1 8.350 . . . . . . . . 105 S HN . 53826 1 184 . 1 . 1 105 105 SER N N 15 117.599 . . . . . . . . 105 S N . 53826 1 185 . 1 . 1 106 106 GLY H H 1 8.416 . . . . . . . . 106 G HN . 53826 1 186 . 1 . 1 106 106 GLY N N 15 110.630 . . . . . . . . 106 G N . 53826 1 187 . 1 . 1 107 107 GLN H H 1 8.203 . . . . . . . . 107 Q HN . 53826 1 188 . 1 . 1 107 107 GLN N N 15 119.822 . . . . . . . . 107 Q N . 53826 1 189 . 1 . 1 108 108 SER H H 1 8.381 . . . . . . . . 108 S HN . 53826 1 190 . 1 . 1 108 108 SER N N 15 117.044 . . . . . . . . 108 S N . 53826 1 191 . 1 . 1 109 109 ALA H H 1 8.357 . . . . . . . . 109 A HN . 53826 1 192 . 1 . 1 109 109 ALA N N 15 125.937 . . . . . . . . 109 A N . 53826 1 193 . 1 . 1 110 110 GLY H H 1 8.289 . . . . . . . . 110 G HN . 53826 1 194 . 1 . 1 110 110 GLY N N 15 107.770 . . . . . . . . 110 G N . 53826 1 195 . 1 . 1 111 111 PHE H H 1 8.053 . . . . . . . . 111 F HN . 53826 1 196 . 1 . 1 111 111 PHE N N 15 120.368 . . . . . . . . 111 F N . 53826 1 197 . 1 . 1 112 112 ASN H H 1 8.368 . . . . . . . . 112 N HN . 53826 1 198 . 1 . 1 112 112 ASN N N 15 122.914 . . . . . . . . 112 N N . 53826 1 199 . 1 . 1 114 114 LEU H H 1 7.900 . . . . . . . . 114 L HN . 53826 1 200 . 1 . 1 114 114 LEU N N 15 118.868 . . . . . . . . 114 L N . 53826 1 201 . 1 . 1 115 115 ALA H H 1 7.670 . . . . . . . . 115 A HN . 53826 1 202 . 1 . 1 115 115 ALA N N 15 123.024 . . . . . . . . 115 A N . 53826 1 203 . 1 . 1 116 116 ASP H H 1 8.090 . . . . . . . . 116 D HN . 53826 1 204 . 1 . 1 116 116 ASP N N 15 118.537 . . . . . . . . 116 D N . 53826 1 205 . 1 . 1 117 117 LEU H H 1 8.214 . . . . . . . . 117 L HN . 53826 1 206 . 1 . 1 117 117 LEU N N 15 122.701 . . . . . . . . 117 L N . 53826 1 207 . 1 . 1 118 118 THR H H 1 8.133 . . . . . . . . 118 T HN . 53826 1 208 . 1 . 1 118 118 THR N N 15 112.736 . . . . . . . . 118 T N . 53826 1 209 . 1 . 1 119 119 SER H H 1 8.118 . . . . . . . . 119 S HN . 53826 1 210 . 1 . 1 119 119 SER N N 15 117.133 . . . . . . . . 119 S N . 53826 1 211 . 1 . 1 120 120 ALA H H 1 8.177 . . . . . . . . 120 A HN . 53826 1 212 . 1 . 1 120 120 ALA N N 15 125.348 . . . . . . . . 120 A N . 53826 1 213 . 1 . 1 121 121 ARG H H 1 8.021 . . . . . . . . 121 R HN . 53826 1 214 . 1 . 1 121 121 ARG N N 15 118.739 . . . . . . . . 121 R N . 53826 1 215 . 1 . 1 122 122 TYR H H 1 7.938 . . . . . . . . 122 Y HN . 53826 1 216 . 1 . 1 122 122 TYR N N 15 119.563 . . . . . . . . 122 Y N . 53826 1 217 . 1 . 1 123 123 ALA H H 1 8.062 . . . . . . . . 123 A HN . 53826 1 218 . 1 . 1 123 123 ALA N N 15 124.609 . . . . . . . . 123 A N . 53826 1 219 . 1 . 1 124 124 GLY H H 1 7.870 . . . . . . . . 124 G HN . 53826 1 220 . 1 . 1 124 124 GLY N N 15 106.865 . . . . . . . . 124 G N . 53826 1 221 . 1 . 1 125 125 TYR H H 1 7.862 . . . . . . . . 125 Y HN . 53826 1 222 . 1 . 1 125 125 TYR N N 15 119.447 . . . . . . . . 125 Y N . 53826 1 223 . 1 . 1 126 126 LEU H H 1 8.001 . . . . . . . . 126 L HN . 53826 1 224 . 1 . 1 126 126 LEU N N 15 121.909 . . . . . . . . 126 L N . 53826 1 225 . 1 . 1 127 127 ASN H H 1 8.191 . . . . . . . . 127 N HN . 53826 1 226 . 1 . 1 127 127 ASN N N 15 118.280 . . . . . . . . 127 N N . 53826 1 227 . 1 . 1 128 128 MET H H 1 8.098 . . . . . . . . 128 M HN . 53826 1 228 . 1 . 1 128 128 MET N N 15 121.114 . . . . . . . . 128 M N . 53826 1 229 . 1 . 1 130 130 SER H H 1 8.250 . . . . . . . . 130 S HN . 53826 1 230 . 1 . 1 130 130 SER N N 15 115.636 . . . . . . . . 130 S N . 53826 1 231 . 1 . 1 131 131 ALA H H 1 8.396 . . . . . . . . 131 A HN . 53826 1 232 . 1 . 1 131 131 ALA N N 15 125.424 . . . . . . . . 131 A N . 53826 1 233 . 1 . 1 132 132 ASP H H 1 8.191 . . . . . . . . 132 D HN . 53826 1 234 . 1 . 1 132 132 ASP N N 15 118.172 . . . . . . . . 132 D N . 53826 1 235 . 1 . 1 133 133 MET H H 1 7.983 . . . . . . . . 133 M HN . 53826 1 236 . 1 . 1 133 133 MET N N 15 119.549 . . . . . . . . 133 M N . 53826 1 237 . 1 . 1 134 134 PHE H H 1 8.091 . . . . . . . . 134 F HN . 53826 1 238 . 1 . 1 134 134 PHE N N 15 118.942 . . . . . . . . 134 F N . 53826 1 239 . 1 . 1 135 135 GLY H H 1 8.211 . . . . . . . . 135 G HN . 53826 1 240 . 1 . 1 135 135 GLY N N 15 109.054 . . . . . . . . 135 G N . 53826 1 241 . 1 . 1 137 137 ASP H H 1 8.400 . . . . . . . . 137 D HN . 53826 1 242 . 1 . 1 137 137 ASP N N 15 118.809 . . . . . . . . 137 D N . 53826 1 243 . 1 . 1 138 138 GLY H H 1 8.264 . . . . . . . . 138 G HN . 53826 1 244 . 1 . 1 138 138 GLY N N 15 109.237 . . . . . . . . 138 G N . 53826 1 245 . 1 . 1 139 139 GLY H H 1 8.238 . . . . . . . . 139 G HN . 53826 1 246 . 1 . 1 139 139 GLY N N 15 108.592 . . . . . . . . 139 G N . 53826 1 247 . 1 . 1 140 140 ALA H H 1 8.163 . . . . . . . . 140 A HN . 53826 1 248 . 1 . 1 140 140 ALA N N 15 123.647 . . . . . . . . 140 A N . 53826 1 249 . 1 . 1 141 141 LEU H H 1 8.185 . . . . . . . . 141 L HN . 53826 1 250 . 1 . 1 141 141 LEU N N 15 120.826 . . . . . . . . 141 L N . 53826 1 251 . 1 . 1 142 142 ASN H H 1 8.324 . . . . . . . . 142 N HN . 53826 1 252 . 1 . 1 142 142 ASN N N 15 118.855 . . . . . . . . 142 N N . 53826 1 253 . 1 . 1 143 143 ASN H H 1 8.395 . . . . . . . . 143 N HN . 53826 1 254 . 1 . 1 143 143 ASN N N 15 119.578 . . . . . . . . 143 N N . 53826 1 255 . 1 . 1 144 144 ASP H H 1 8.359 . . . . . . . . 144 D HN . 53826 1 256 . 1 . 1 144 144 ASP N N 15 120.816 . . . . . . . . 144 D N . 53826 1 257 . 1 . 1 145 145 SER H H 1 8.284 . . . . . . . . 145 S HN . 53826 1 258 . 1 . 1 145 145 SER N N 15 116.150 . . . . . . . . 145 S N . 53826 1 259 . 1 . 1 146 146 ASN H H 1 8.425 . . . . . . . . 146 N HN . 53826 1 260 . 1 . 1 146 146 ASN N N 15 120.406 . . . . . . . . 146 N N . 53826 1 261 . 1 . 1 149 149 ASP H H 1 8.258 . . . . . . . . 149 D HN . 53826 1 262 . 1 . 1 149 149 ASP N N 15 119.846 . . . . . . . . 149 D N . 53826 1 263 . 1 . 1 151 151 LEU H H 1 7.969 . . . . . . . . 151 L HN . 53826 1 264 . 1 . 1 151 151 LEU N N 15 120.911 . . . . . . . . 151 L N . 53826 1 265 . 1 . 1 152 152 LEU H H 1 7.966 . . . . . . . . 152 L HN . 53826 1 266 . 1 . 1 152 152 LEU N N 15 118.665 . . . . . . . . 152 L N . 53826 1 267 . 1 . 1 153 153 ARG H H 1 7.797 . . . . . . . . 153 R HN . 53826 1 268 . 1 . 1 153 153 ARG N N 15 117.573 . . . . . . . . 153 R N . 53826 1 269 . 1 . 1 154 154 MET H H 1 7.835 . . . . . . . . 154 M HN . 53826 1 270 . 1 . 1 154 154 MET N N 15 119.852 . . . . . . . . 154 M N . 53826 1 271 . 1 . 1 155 155 MET H H 1 7.778 . . . . . . . . 155 M HN . 53826 1 272 . 1 . 1 155 155 MET N N 15 115.320 . . . . . . . . 155 M N . 53826 1 273 . 1 . 1 156 156 GLU H H 1 7.521 . . . . . . . . 156 E HN . 53826 1 274 . 1 . 1 156 156 GLU N N 15 115.794 . . . . . . . . 156 E N . 53826 1 275 . 1 . 1 157 157 ASN H H 1 7.735 . . . . . . . . 157 N HN . 53826 1 276 . 1 . 1 157 157 ASN N N 15 121.087 . . . . . . . . 157 N N . 53826 1 277 . 1 . 1 160 160 PHE H H 1 7.502 . . . . . . . . 160 F HN . 53826 1 278 . 1 . 1 160 160 PHE N N 15 121.962 . . . . . . . . 160 F N . 53826 1 279 . 1 . 1 161 161 GLN H H 1 8.285 . . . . . . . . 161 Q HN . 53826 1 280 . 1 . 1 161 161 GLN N N 15 117.343 . . . . . . . . 161 Q N . 53826 1 281 . 1 . 1 162 162 SER H H 1 8.039 . . . . . . . . 162 S HN . 53826 1 282 . 1 . 1 162 162 SER N N 15 114.147 . . . . . . . . 162 S N . 53826 1 283 . 1 . 1 163 163 GLN H H 1 7.992 . . . . . . . . 163 Q HN . 53826 1 284 . 1 . 1 163 163 GLN N N 15 121.905 . . . . . . . . 163 Q N . 53826 1 285 . 1 . 1 165 165 ASN H H 1 8.115 . . . . . . . . 165 N HN . 53826 1 286 . 1 . 1 165 165 ASN N N 15 117.128 . . . . . . . . 165 N N . 53826 1 287 . 1 . 1 166 166 GLU H H 1 7.989 . . . . . . . . 166 E HN . 53826 1 288 . 1 . 1 166 166 GLU N N 15 120.338 . . . . . . . . 166 E N . 53826 1 289 . 1 . 1 175 175 ASP H H 1 7.981 . . . . . . . . 175 D HN . 53826 1 290 . 1 . 1 175 175 ASP N N 15 117.150 . . . . . . . . 175 D N . 53826 1 291 . 1 . 1 176 176 PHE H H 1 7.822 . . . . . . . . 176 F HN . 53826 1 292 . 1 . 1 176 176 PHE N N 15 119.853 . . . . . . . . 176 F N . 53826 1 293 . 1 . 1 179 179 GLN H H 1 7.843 . . . . . . . . 179 Q HN . 53826 1 294 . 1 . 1 179 179 GLN N N 15 115.536 . . . . . . . . 179 Q N . 53826 1 295 . 1 . 1 180 180 SER H H 1 7.565 . . . . . . . . 180 S HN . 53826 1 296 . 1 . 1 180 180 SER N N 15 110.939 . . . . . . . . 180 S N . 53826 1 297 . 1 . 1 181 181 ASN H H 1 7.527 . . . . . . . . 181 N HN . 53826 1 298 . 1 . 1 181 181 ASN N N 15 120.584 . . . . . . . . 181 N N . 53826 1 299 . 1 . 1 183 183 GLN H H 1 8.429 . . . . . . . . 183 Q HN . 53826 1 300 . 1 . 1 183 183 GLN N N 15 117.246 . . . . . . . . 183 Q N . 53826 1 301 . 1 . 1 185 185 GLN H H 1 8.085 . . . . . . . . 185 Q HN . 53826 1 302 . 1 . 1 185 185 GLN N N 15 119.682 . . . . . . . . 185 Q N . 53826 1 303 . 1 . 1 186 186 ALA H H 1 7.653 . . . . . . . . 186 A HN . 53826 1 304 . 1 . 1 186 186 ALA N N 15 119.555 . . . . . . . . 186 A N . 53826 1 305 . 1 . 1 187 187 MET H H 1 7.485 . . . . . . . . 187 M HN . 53826 1 306 . 1 . 1 187 187 MET N N 15 115.976 . . . . . . . . 187 M N . 53826 1 307 . 1 . 1 188 188 GLY H H 1 7.792 . . . . . . . . 188 G HN . 53826 1 308 . 1 . 1 188 188 GLY N N 15 107.372 . . . . . . . . 188 G N . 53826 1 309 . 1 . 1 190 190 GLN H H 1 8.357 . . . . . . . . 190 Q HN . 53826 1 310 . 1 . 1 190 190 GLN N N 15 117.436 . . . . . . . . 190 Q N . 53826 1 311 . 1 . 1 191 191 ALA H H 1 7.915 . . . . . . . . 191 A HN . 53826 1 312 . 1 . 1 191 191 ALA N N 15 122.233 . . . . . . . . 191 A N . 53826 1 313 . 1 . 1 192 192 ARG H H 1 7.801 . . . . . . . . 192 R HN . 53826 1 314 . 1 . 1 192 192 ARG N N 15 115.674 . . . . . . . . 192 R N . 53826 1 315 . 1 . 1 193 193 GLN H H 1 7.508 . . . . . . . . 193 Q HN . 53826 1 316 . 1 . 1 193 193 GLN N N 15 116.352 . . . . . . . . 193 Q N . 53826 1 317 . 1 . 1 196 196 GLN H H 1 7.297 . . . . . . . . 196 Q HN . 53826 1 318 . 1 . 1 196 196 GLN N N 15 112.720 . . . . . . . . 196 Q N . 53826 1 319 . 1 . 1 197 197 SER H H 1 7.703 . . . . . . . . 197 S HN . 53826 1 320 . 1 . 1 197 197 SER N N 15 117.169 . . . . . . . . 197 S N . 53826 1 321 . 1 . 1 199 199 MET H H 1 8.139 . . . . . . . . 199 M HN . 53826 1 322 . 1 . 1 199 199 MET N N 15 115.892 . . . . . . . . 199 M N . 53826 1 323 . 1 . 1 200 200 PHE H H 1 7.667 . . . . . . . . 200 F HN . 53826 1 324 . 1 . 1 200 200 PHE N N 15 119.948 . . . . . . . . 200 F N . 53826 1 325 . 1 . 1 201 201 ARG H H 1 7.907 . . . . . . . . 201 R HN . 53826 1 326 . 1 . 1 201 201 ARG N N 15 117.419 . . . . . . . . 201 R N . 53826 1 327 . 1 . 1 206 206 ASN H H 1 7.677 . . . . . . . . 206 N HN . 53826 1 328 . 1 . 1 206 206 ASN N N 15 120.233 . . . . . . . . 206 N N . 53826 1 329 . 1 . 1 208 208 ASP H H 1 8.233 . . . . . . . . 208 D HN . 53826 1 330 . 1 . 1 208 208 ASP N N 15 117.638 . . . . . . . . 208 D N . 53826 1 331 . 1 . 1 217 217 ALA H H 1 8.069 . . . . . . . . 217 A HN . 53826 1 332 . 1 . 1 217 217 ALA N N 15 122.152 . . . . . . . . 217 A N . 53826 1 333 . 1 . 1 218 218 ARG H H 1 7.954 . . . . . . . . 218 R HN . 53826 1 334 . 1 . 1 218 218 ARG N N 15 117.670 . . . . . . . . 218 R N . 53826 1 335 . 1 . 1 223 223 ASN H H 1 8.484 . . . . . . . . 223 N HN . 53826 1 336 . 1 . 1 223 223 ASN N N 15 116.590 . . . . . . . . 223 N N . 53826 1 337 . 1 . 1 224 224 ALA H H 1 7.817 . . . . . . . . 224 A HN . 53826 1 338 . 1 . 1 224 224 ALA N N 15 123.528 . . . . . . . . 224 A N . 53826 1 339 . 1 . 1 225 225 GLY H H 1 8.358 . . . . . . . . 225 G HN . 53826 1 340 . 1 . 1 225 225 GLY N N 15 107.602 . . . . . . . . 225 G N . 53826 1 341 . 1 . 1 226 226 MET H H 1 8.141 . . . . . . . . 226 M HN . 53826 1 342 . 1 . 1 226 226 MET N N 15 119.537 . . . . . . . . 226 M N . 53826 1 343 . 1 . 1 227 227 GLY H H 1 8.469 . . . . . . . . 227 G HN . 53826 1 344 . 1 . 1 227 227 GLY N N 15 109.836 . . . . . . . . 227 G N . 53826 1 345 . 1 . 1 228 228 SER H H 1 8.227 . . . . . . . . 228 S HN . 53826 1 346 . 1 . 1 228 228 SER N N 15 115.705 . . . . . . . . 228 S N . 53826 1 347 . 1 . 1 229 229 ALA H H 1 8.415 . . . . . . . . 229 A HN . 53826 1 348 . 1 . 1 229 229 ALA N N 15 125.979 . . . . . . . . 229 A N . 53826 1 349 . 1 . 1 230 230 GLY H H 1 8.332 . . . . . . . . 230 G HN . 53826 1 350 . 1 . 1 230 230 GLY N N 15 107.982 . . . . . . . . 230 G N . 53826 1 351 . 1 . 1 231 231 GLY H H 1 8.200 . . . . . . . . 231 G HN . 53826 1 352 . 1 . 1 231 231 GLY N N 15 108.742 . . . . . . . . 231 G N . 53826 1 353 . 1 . 1 232 232 ALA H H 1 8.202 . . . . . . . . 232 A HN . 53826 1 354 . 1 . 1 232 232 ALA N N 15 123.940 . . . . . . . . 232 A N . 53826 1 355 . 1 . 1 233 233 ALA H H 1 8.287 . . . . . . . . 233 A HN . 53826 1 356 . 1 . 1 233 233 ALA N N 15 123.016 . . . . . . . . 233 A N . 53826 1 357 . 1 . 1 234 234 SER H H 1 8.116 . . . . . . . . 234 S HN . 53826 1 358 . 1 . 1 234 234 SER N N 15 114.571 . . . . . . . . 234 S N . 53826 1 359 . 1 . 1 235 235 ALA H H 1 8.145 . . . . . . . . 235 A HN . 53826 1 360 . 1 . 1 235 235 ALA N N 15 125.591 . . . . . . . . 235 A N . 53826 1 361 . 1 . 1 236 236 PHE H H 1 8.082 . . . . . . . . 236 F HN . 53826 1 362 . 1 . 1 236 236 PHE N N 15 120.000 . . . . . . . . 236 F N . 53826 1 363 . 1 . 1 238 238 ALA H H 1 8.382 . . . . . . . . 238 A HN . 53826 1 364 . 1 . 1 238 238 ALA N N 15 126.005 . . . . . . . . 238 A N . 53826 1 365 . 1 . 1 240 240 GLY H H 1 8.490 . . . . . . . . 240 G HN . 53826 1 366 . 1 . 1 240 240 GLY N N 15 109.436 . . . . . . . . 240 G N . 53826 1 367 . 1 . 1 241 241 GLY H H 1 8.246 . . . . . . . . 241 G HN . 53826 1 368 . 1 . 1 241 241 GLY N N 15 108.843 . . . . . . . . 241 G N . 53826 1 369 . 1 . 1 242 242 ASP H H 1 8.321 . . . . . . . . 242 D HN . 53826 1 370 . 1 . 1 242 242 ASP N N 15 120.273 . . . . . . . . 242 D N . 53826 1 371 . 1 . 1 243 243 ALA H H 1 8.237 . . . . . . . . 243 A HN . 53826 1 372 . 1 . 1 243 243 ALA N N 15 125.285 . . . . . . . . 243 A N . 53826 1 373 . 1 . 1 245 245 GLU H H 1 8.582 . . . . . . . . 245 E HN . 53826 1 374 . 1 . 1 245 245 GLU N N 15 121.419 . . . . . . . . 245 E N . 53826 1 375 . 1 . 1 246 246 GLU H H 1 8.531 . . . . . . . . 246 E HN . 53826 1 376 . 1 . 1 246 246 GLU N N 15 122.817 . . . . . . . . 246 E N . 53826 1 377 . 1 . 1 247 247 GLY H H 1 8.494 . . . . . . . . 247 G HN . 53826 1 378 . 1 . 1 247 247 GLY N N 15 110.400 . . . . . . . . 247 G N . 53826 1 379 . 1 . 1 248 248 SER H H 1 8.209 . . . . . . . . 248 S HN . 53826 1 380 . 1 . 1 248 248 SER N N 15 115.429 . . . . . . . . 248 S N . 53826 1 381 . 1 . 1 249 249 ASN H H 1 8.556 . . . . . . . . 249 N HN . 53826 1 382 . 1 . 1 249 249 ASN N N 15 120.804 . . . . . . . . 249 N N . 53826 1 383 . 1 . 1 250 250 THR H H 1 8.144 . . . . . . . . 250 T HN . 53826 1 384 . 1 . 1 250 250 THR N N 15 113.929 . . . . . . . . 250 T N . 53826 1 385 . 1 . 1 251 251 ASN H H 1 8.497 . . . . . . . . 251 N HN . 53826 1 386 . 1 . 1 251 251 ASN N N 15 121.125 . . . . . . . . 251 N N . 53826 1 387 . 1 . 1 252 252 THR H H 1 8.193 . . . . . . . . 252 T HN . 53826 1 388 . 1 . 1 252 252 THR N N 15 114.337 . . . . . . . . 252 T N . 53826 1 389 . 1 . 1 253 253 THR H H 1 8.212 . . . . . . . . 253 T HN . 53826 1 390 . 1 . 1 253 253 THR N N 15 116.008 . . . . . . . . 253 T N . 53826 1 391 . 1 . 1 254 254 SER H H 1 8.364 . . . . . . . . 254 S HN . 53826 1 392 . 1 . 1 254 254 SER N N 15 118.156 . . . . . . . . 254 S N . 53826 1 393 . 1 . 1 255 255 SER H H 1 8.396 . . . . . . . . 255 S HN . 53826 1 394 . 1 . 1 255 255 SER N N 15 117.943 . . . . . . . . 255 S N . 53826 1 395 . 1 . 1 256 256 SER H H 1 8.343 . . . . . . . . 256 S HN . 53826 1 396 . 1 . 1 256 256 SER N N 15 117.450 . . . . . . . . 256 S N . 53826 1 397 . 1 . 1 257 257 ASN H H 1 8.465 . . . . . . . . 257 N HN . 53826 1 398 . 1 . 1 257 257 ASN N N 15 120.934 . . . . . . . . 257 N N . 53826 1 399 . 1 . 1 258 258 THR H H 1 8.144 . . . . . . . . 258 T HN . 53826 1 400 . 1 . 1 258 258 THR N N 15 113.603 . . . . . . . . 258 T N . 53826 1 401 . 1 . 1 259 259 GLY H H 1 8.408 . . . . . . . . 259 G HN . 53826 1 402 . 1 . 1 259 259 GLY N N 15 110.826 . . . . . . . . 259 G N . 53826 1 403 . 1 . 1 260 260 ASN H H 1 8.311 . . . . . . . . 260 N HN . 53826 1 404 . 1 . 1 260 260 ASN N N 15 118.698 . . . . . . . . 260 N N . 53826 1 405 . 1 . 1 261 261 ASN H H 1 8.458 . . . . . . . . 261 N HN . 53826 1 406 . 1 . 1 261 261 ASN N N 15 119.448 . . . . . . . . 261 N N . 53826 1 407 . 1 . 1 262 262 ALA H H 1 8.273 . . . . . . . . 262 A HN . 53826 1 408 . 1 . 1 262 262 ALA N N 15 124.123 . . . . . . . . 262 A N . 53826 1 409 . 1 . 1 263 263 GLY H H 1 8.379 . . . . . . . . 263 G HN . 53826 1 410 . 1 . 1 263 263 GLY N N 15 107.844 . . . . . . . . 263 G N . 53826 1 411 . 1 . 1 264 264 THR H H 1 8.033 . . . . . . . . 264 T HN . 53826 1 412 . 1 . 1 264 264 THR N N 15 113.378 . . . . . . . . 264 T N . 53826 1 413 . 1 . 1 265 265 ASN H H 1 8.506 . . . . . . . . 265 N HN . 53826 1 414 . 1 . 1 265 265 ASN N N 15 121.103 . . . . . . . . 265 N N . 53826 1 415 . 1 . 1 266 266 ALA H H 1 8.289 . . . . . . . . 266 A HN . 53826 1 416 . 1 . 1 266 266 ALA N N 15 124.546 . . . . . . . . 266 A N . 53826 1 417 . 1 . 1 267 267 GLY H H 1 8.385 . . . . . . . . 267 G HN . 53826 1 418 . 1 . 1 267 267 GLY N N 15 107.842 . . . . . . . . 267 G N . 53826 1 419 . 1 . 1 268 268 THR H H 1 8.036 . . . . . . . . 268 T HN . 53826 1 420 . 1 . 1 268 268 THR N N 15 113.389 . . . . . . . . 268 T N . 53826 1 421 . 1 . 1 269 269 ASN H H 1 8.491 . . . . . . . . 269 N HN . 53826 1 422 . 1 . 1 269 269 ASN N N 15 121.114 . . . . . . . . 269 N N . 53826 1 423 . 1 . 1 270 270 ALA H H 1 8.294 . . . . . . . . 270 A HN . 53826 1 424 . 1 . 1 270 270 ALA N N 15 124.640 . . . . . . . . 270 A N . 53826 1 425 . 1 . 1 271 271 GLY H H 1 8.352 . . . . . . . . 271 G HN . 53826 1 426 . 1 . 1 271 271 GLY N N 15 107.984 . . . . . . . . 271 G N . 53826 1 427 . 1 . 1 272 272 ALA H H 1 8.089 . . . . . . . . 272 A HN . 53826 1 428 . 1 . 1 272 272 ALA N N 15 123.535 . . . . . . . . 272 A N . 53826 1 429 . 1 . 1 273 273 ASN H H 1 8.449 . . . . . . . . 273 N HN . 53826 1 430 . 1 . 1 273 273 ASN N N 15 117.877 . . . . . . . . 273 N N . 53826 1 431 . 1 . 1 274 274 THR H H 1 8.067 . . . . . . . . 274 T HN . 53826 1 432 . 1 . 1 274 274 THR N N 15 114.450 . . . . . . . . 274 T N . 53826 1 433 . 1 . 1 275 275 ALA H H 1 8.234 . . . . . . . . 275 A HN . 53826 1 434 . 1 . 1 275 275 ALA N N 15 126.039 . . . . . . . . 275 A N . 53826 1 435 . 1 . 1 276 276 ALA H H 1 8.133 . . . . . . . . 276 A HN . 53826 1 436 . 1 . 1 276 276 ALA N N 15 122.799 . . . . . . . . 276 A N . 53826 1 437 . 1 . 1 281 281 GLY H H 1 8.364 . . . . . . . . 294 G HN . 53826 1 438 . 1 . 1 281 281 GLY N N 15 107.600 . . . . . . . . 294 G N . 53826 1 439 . 1 . 1 282 282 ASN H H 1 8.211 . . . . . . . . 295 N HN . 53826 1 440 . 1 . 1 282 282 ASN N N 15 118.738 . . . . . . . . 295 N N . 53826 1 441 . 1 . 1 283 283 ALA H H 1 8.286 . . . . . . . . 296 A HN . 53826 1 442 . 1 . 1 283 283 ALA N N 15 124.472 . . . . . . . . 296 A N . 53826 1 443 . 1 . 1 284 284 ALA H H 1 8.249 . . . . . . . . 297 A HN . 53826 1 444 . 1 . 1 284 284 ALA N N 15 122.689 . . . . . . . . 297 A N . 53826 1 445 . 1 . 1 285 285 SER H H 1 8.232 . . . . . . . . 298 S HN . 53826 1 446 . 1 . 1 285 285 SER N N 15 114.777 . . . . . . . . 298 S N . 53826 1 447 . 1 . 1 286 286 THR H H 1 8.125 . . . . . . . . 299 T HN . 53826 1 448 . 1 . 1 286 286 THR N N 15 114.986 . . . . . . . . 299 T N . 53826 1 449 . 1 . 1 287 287 GLY H H 1 8.349 . . . . . . . . 300 G HN . 53826 1 450 . 1 . 1 287 287 GLY N N 15 110.828 . . . . . . . . 300 G N . 53826 1 451 . 1 . 1 288 288 MET H H 1 8.133 . . . . . . . . 301 M HN . 53826 1 452 . 1 . 1 288 288 MET N N 15 120.970 . . . . . . . . 301 M N . 53826 1 453 . 1 . 1 290 290 ALA H H 1 8.299 . . . . . . . . 303 A HN . 53826 1 454 . 1 . 1 290 290 ALA N N 15 123.747 . . . . . . . . 303 A N . 53826 1 455 . 1 . 1 291 291 PHE H H 1 8.029 . . . . . . . . 304 F HN . 53826 1 456 . 1 . 1 291 291 PHE N N 15 119.012 . . . . . . . . 304 F N . 53826 1 457 . 1 . 1 292 292 ASP H H 1 7.990 . . . . . . . . 305 D HN . 53826 1 458 . 1 . 1 292 292 ASP N N 15 123.986 . . . . . . . . 305 D N . 53826 1 459 . 1 . 1 294 294 ALA H H 1 8.366 . . . . . . . . 307 A HN . 53826 1 460 . 1 . 1 294 294 ALA N N 15 121.275 . . . . . . . . 307 A N . 53826 1 461 . 1 . 1 295 295 LEU H H 1 7.716 . . . . . . . . 308 L HN . 53826 1 462 . 1 . 1 295 295 LEU N N 15 119.164 . . . . . . . . 308 L N . 53826 1 463 . 1 . 1 296 296 LEU H H 1 7.727 . . . . . . . . 309 L HN . 53826 1 464 . 1 . 1 296 296 LEU N N 15 120.070 . . . . . . . . 309 L N . 53826 1 465 . 1 . 1 298 298 SER H H 1 7.889 . . . . . . . . 311 S HN . 53826 1 466 . 1 . 1 298 298 SER N N 15 112.817 . . . . . . . . 311 S N . 53826 1 467 . 1 . 1 299 299 MET H H 1 7.889 . . . . . . . . 312 M HN . 53826 1 468 . 1 . 1 299 299 MET N N 15 120.636 . . . . . . . . 312 M N . 53826 1 469 . 1 . 1 301 301 GLN H H 1 7.951 . . . . . . . . 314 Q HN . 53826 1 470 . 1 . 1 301 301 GLN N N 15 122.659 . . . . . . . . 314 Q N . 53826 1 471 . 1 . 1 304 304 VAL H H 1 8.206 . . . . . . . . 317 V HN . 53826 1 472 . 1 . 1 304 304 VAL N N 15 120.584 . . . . . . . . 317 V N . 53826 1 473 . 1 . 1 305 305 GLN H H 1 8.466 . . . . . . . . 318 Q HN . 53826 1 474 . 1 . 1 305 305 GLN N N 15 124.500 . . . . . . . . 318 Q N . 53826 1 475 . 1 . 1 306 306 ALA H H 1 8.438 . . . . . . . . 319 A HN . 53826 1 476 . 1 . 1 306 306 ALA N N 15 126.278 . . . . . . . . 319 A N . 53826 1 477 . 1 . 1 307 307 SER H H 1 8.335 . . . . . . . . 320 S HN . 53826 1 478 . 1 . 1 307 307 SER N N 15 115.233 . . . . . . . . 320 S N . 53826 1 479 . 1 . 1 308 308 GLN H H 1 8.414 . . . . . . . . 321 Q HN . 53826 1 480 . 1 . 1 308 308 GLN N N 15 122.270 . . . . . . . . 321 Q N . 53826 1 481 . 1 . 1 309 309 ALA H H 1 8.287 . . . . . . . . 322 A HN . 53826 1 482 . 1 . 1 309 309 ALA N N 15 125.226 . . . . . . . . 322 A N . 53826 1 483 . 1 . 1 310 310 GLU H H 1 8.361 . . . . . . . . 323 E HN . 53826 1 484 . 1 . 1 310 310 GLU N N 15 120.559 . . . . . . . . 323 E N . 53826 1 485 . 1 . 1 311 311 ASP H H 1 8.342 . . . . . . . . 324 D HN . 53826 1 486 . 1 . 1 311 311 ASP N N 15 122.436 . . . . . . . . 324 D N . 53826 1 487 . 1 . 1 312 312 THR H H 1 8.292 . . . . . . . . 325 T HN . 53826 1 488 . 1 . 1 312 312 THR N N 15 115.224 . . . . . . . . 325 T N . 53826 1 489 . 1 . 1 313 313 ARG H H 1 7.974 . . . . . . . . 326 R HN . 53826 1 490 . 1 . 1 313 313 ARG N N 15 123.692 . . . . . . . . 326 R N . 53826 1 491 . 1 . 1 318 318 ARG H H 1 7.456 . . . . . . . . 331 R HN . 53826 1 492 . 1 . 1 318 318 ARG N N 15 118.166 . . . . . . . . 331 R N . 53826 1 493 . 1 . 1 320 320 GLU H H 1 7.019 . . . . . . . . 333 E HN . 53826 1 494 . 1 . 1 320 320 GLU N N 15 120.483 . . . . . . . . 333 E N . 53826 1 495 . 1 . 1 321 321 HIS H H 1 8.849 . . . . . . . . 334 H HN . 53826 1 496 . 1 . 1 321 321 HIS N N 15 117.623 . . . . . . . . 334 H N . 53826 1 497 . 1 . 1 322 322 GLN H H 1 9.416 . . . . . . . . 335 Q HN . 53826 1 498 . 1 . 1 322 322 GLN N N 15 121.855 . . . . . . . . 335 Q N . 53826 1 499 . 1 . 1 323 323 LEU H H 1 9.022 . . . . . . . . 336 L HN . 53826 1 500 . 1 . 1 323 323 LEU N N 15 118.867 . . . . . . . . 336 L N . 53826 1 501 . 1 . 1 324 324 ARG H H 1 7.442 . . . . . . . . 337 R HN . 53826 1 502 . 1 . 1 324 324 ARG N N 15 119.166 . . . . . . . . 337 R N . 53826 1 503 . 1 . 1 325 325 GLN H H 1 7.671 . . . . . . . . 338 Q HN . 53826 1 504 . 1 . 1 325 325 GLN N N 15 118.354 . . . . . . . . 338 Q N . 53826 1 505 . 1 . 1 327 327 ASN H H 1 8.595 . . . . . . . . 340 N HN . 53826 1 506 . 1 . 1 327 327 ASN N N 15 119.396 . . . . . . . . 340 N N . 53826 1 507 . 1 . 1 328 328 ASP H H 1 8.347 . . . . . . . . 341 D HN . 53826 1 508 . 1 . 1 328 328 ASP N N 15 121.946 . . . . . . . . 341 D N . 53826 1 509 . 1 . 1 329 329 MET H H 1 7.389 . . . . . . . . 342 M HN . 53826 1 510 . 1 . 1 329 329 MET N N 15 116.120 . . . . . . . . 342 M N . 53826 1 511 . 1 . 1 330 330 GLY H H 1 7.629 . . . . . . . . 343 G HN . 53826 1 512 . 1 . 1 330 330 GLY N N 15 105.263 . . . . . . . . 343 G N . 53826 1 513 . 1 . 1 331 331 PHE H H 1 7.763 . . . . . . . . 344 F HN . 53826 1 514 . 1 . 1 331 331 PHE N N 15 121.282 . . . . . . . . 344 F N . 53826 1 515 . 1 . 1 332 332 PHE H H 1 8.593 . . . . . . . . 345 F HN . 53826 1 516 . 1 . 1 332 332 PHE N N 15 123.427 . . . . . . . . 345 F N . 53826 1 517 . 1 . 1 333 333 ASP H H 1 8.870 . . . . . . . . 346 D HN . 53826 1 518 . 1 . 1 333 333 ASP N N 15 124.266 . . . . . . . . 346 D N . 53826 1 519 . 1 . 1 334 334 PHE H H 1 8.757 . . . . . . . . 347 F HN . 53826 1 520 . 1 . 1 334 334 PHE N N 15 129.923 . . . . . . . . 347 F N . 53826 1 521 . 1 . 1 335 335 ASP H H 1 8.411 . . . . . . . . 348 D HN . 53826 1 522 . 1 . 1 335 335 ASP N N 15 117.020 . . . . . . . . 348 D N . 53826 1 523 . 1 . 1 336 336 ARG H H 1 8.040 . . . . . . . . 349 R HN . 53826 1 524 . 1 . 1 336 336 ARG N N 15 121.480 . . . . . . . . 349 R N . 53826 1 525 . 1 . 1 337 337 ASN H H 1 8.494 . . . . . . . . 350 N HN . 53826 1 526 . 1 . 1 337 337 ASN N N 15 119.809 . . . . . . . . 350 N N . 53826 1 527 . 1 . 1 338 338 VAL H H 1 8.416 . . . . . . . . 351 V HN . 53826 1 528 . 1 . 1 338 338 VAL N N 15 119.203 . . . . . . . . 351 V N . 53826 1 529 . 1 . 1 339 339 ALA H H 1 7.716 . . . . . . . . 352 A HN . 53826 1 530 . 1 . 1 339 339 ALA N N 15 121.998 . . . . . . . . 352 A N . 53826 1 531 . 1 . 1 340 340 ALA H H 1 8.298 . . . . . . . . 353 A HN . 53826 1 532 . 1 . 1 340 340 ALA N N 15 121.422 . . . . . . . . 353 A N . 53826 1 533 . 1 . 1 341 341 LEU H H 1 8.050 . . . . . . . . 354 L HN . 53826 1 534 . 1 . 1 341 341 LEU N N 15 119.988 . . . . . . . . 354 L N . 53826 1 535 . 1 . 1 342 342 ARG H H 1 8.654 . . . . . . . . 355 R HN . 53826 1 536 . 1 . 1 342 342 ARG N N 15 120.595 . . . . . . . . 355 R N . 53826 1 537 . 1 . 1 343 343 ARG H H 1 7.680 . . . . . . . . 356 R HN . 53826 1 538 . 1 . 1 343 343 ARG N N 15 119.346 . . . . . . . . 356 R N . 53826 1 539 . 1 . 1 344 344 SER H H 1 8.019 . . . . . . . . 357 S HN . 53826 1 540 . 1 . 1 344 344 SER N N 15 112.697 . . . . . . . . 357 S N . 53826 1 541 . 1 . 1 345 345 GLY H H 1 7.682 . . . . . . . . 358 G HN . 53826 1 542 . 1 . 1 345 345 GLY N N 15 112.319 . . . . . . . . 358 G N . 53826 1 543 . 1 . 1 346 346 GLY H H 1 9.040 . . . . . . . . 359 G HN . 53826 1 544 . 1 . 1 346 346 GLY N N 15 105.882 . . . . . . . . 359 G N . 53826 1 545 . 1 . 1 347 347 SER H H 1 7.056 . . . . . . . . 360 S HN . 53826 1 546 . 1 . 1 347 347 SER N N 15 113.666 . . . . . . . . 360 S N . 53826 1 547 . 1 . 1 349 349 GLN H H 1 8.517 . . . . . . . . 362 Q HN . 53826 1 548 . 1 . 1 349 349 GLN N N 15 119.647 . . . . . . . . 362 Q N . 53826 1 549 . 1 . 1 350 350 GLY H H 1 8.052 . . . . . . . . 363 G HN . 53826 1 550 . 1 . 1 350 350 GLY N N 15 104.491 . . . . . . . . 363 G N . 53826 1 551 . 1 . 1 351 351 ALA H H 1 7.912 . . . . . . . . 364 A HN . 53826 1 552 . 1 . 1 351 351 ALA N N 15 125.005 . . . . . . . . 364 A N . 53826 1 553 . 1 . 1 353 353 ASP H H 1 7.706 . . . . . . . . 366 D HN . 53826 1 554 . 1 . 1 353 353 ASP N N 15 117.192 . . . . . . . . 366 D N . 53826 1 555 . 1 . 1 354 354 SER H H 1 7.477 . . . . . . . . 367 S HN . 53826 1 556 . 1 . 1 354 354 SER N N 15 114.362 . . . . . . . . 367 S N . 53826 1 557 . 1 . 1 357 357 ASN H H 1 7.892 . . . . . . . . 370 N HN . 53826 1 558 . 1 . 1 357 357 ASN N N 15 115.838 . . . . . . . . 370 N N . 53826 1 559 . 1 . 1 358 358 GLY H H 1 7.853 . . . . . . . . 371 G HN . 53826 1 560 . 1 . 1 358 358 GLY N N 15 107.625 . . . . . . . . 371 G N . 53826 1 561 . 1 . 1 360 360 VAL H H 1 7.362 . . . . . . . . 373 V HN . 53826 1 562 . 1 . 1 360 360 VAL N N 15 119.131 . . . . . . . . 373 V N . 53826 1 stop_ save_