NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6099 | 1ifw | 5053 | cing | recoord | 1-original | 4 | STAR | chemical shift |
loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code # #Atom Residue #shift Seq Residue Atom Atom Shift/ Error/ Ambiguity #assign code Label Name Type ppm ppm Code #--------------------------------------------------------------- # 1 2 PRO CA C 63.3 0.20 1 2 2 PRO HA H 4.47 0.02 1 3 2 PRO CB C 32.5 0.20 1 4 3 LEU N N 122.6 0.25 1 5 3 LEU HN H 8.47 0.02 1 6 3 LEU CA C 55.6 0.20 1 7 3 LEU HA H 4.34 0.02 1 8 3 LEU CB C 42.5 0.20 1 9 3 LEU HB2 H 1.68 0.02 2 10 3 LEU HB3 H 1.68 0.02 2 11 4 GLY N N 110.1 0.25 1 12 4 GLY HN H 8.35 0.02 1 13 4 GLY CA C 45.2 0.20 1 14 4 GLY HA1 H 3.96 0.02 2 15 4 GLY HA2 H 3.96 0.02 2 16 5 SER N N 117.2 0.25 1 17 5 SER HN H 8.15 0.02 1 18 5 SER CA C 56.6 0.20 1 19 5 SER HA H 3.83 0.02 1 20 5 SER CB C 63.6 0.20 1 21 6 PRO CA C 63.5 0.20 1 22 6 PRO CB C 32.3 0.20 1 23 7 ARG N N 121.5 0.25 1 24 7 ARG HN H 8.41 0.02 1 25 7 ARG CA C 56.5 0.20 1 26 7 ARG HA H 4.27 0.02 1 27 7 ARG CB C 30.9 0.20 1 28 7 ARG HB2 H 1.81 0.02 2 29 7 ARG HB3 H 1.73 0.02 2 30 7 ARG HG2 H 1.63 0.02 2 31 7 ARG HG3 H 1.63 0.02 2 32 8 ASN N N 120.2 0.25 1 33 8 ASN HN H 8.43 0.02 1 34 8 ASN CA C 53.3 0.20 1 35 8 ASN HA H 4.69 0.02 1 36 8 ASN CB C 39.2 0.20 1 37 8 ASN HB2 H 2.86 0.02 2 38 8 ASN HB3 H 2.78 0.02 2 39 9 ALA N N 124.9 0.25 1 40 9 ALA HN H 8.34 0.02 1 41 9 ALA CA C 53.3 0.20 1 42 9 ALA HA H 4.26 0.02 1 43 9 ALA CB C 19.4 0.20 1 44 9 ALA HB H 1.38 0.02 1 45 10 ASN N N 117.2 0.25 1 46 10 ASN HN H 8.38 0.02 1 47 10 ASN CA C 53.6 0.20 1 48 10 ASN HA H 4.67 0.02 1 49 10 ASN CB C 38.9 0.20 1 50 10 ASN HB2 H 2.82 0.02 2 51 10 ASN HB3 H 2.72 0.02 2 52 11 ASP N N 120.6 0.25 1 53 11 ASP HN H 8.09 0.02 1 54 11 ASP CA C 54.7 0.20 1 55 11 ASP HA H 4.57 0.02 1 56 11 ASP CB C 41.2 0.20 1 57 11 ASP HB2 H 2.67 0.02 2 58 11 ASP HB3 H 2.67 0.02 2 59 12 ASN N N 119.2 0.25 1 60 12 ASN HN H 8.34 0.02 1 61 12 ASN CA C 53.8 0.20 1 62 12 ASN HA H 4.67 0.02 1 63 12 ASN CB C 38.9 0.20 1 64 12 ASN HB2 H 2.79 0.02 2 65 12 ASN HB3 H 2.68 0.02 2 66 13 ASN N N 119.2 0.25 1 67 13 ASN HN H 8.36 0.02 1 68 13 ASN CA C 54.3 0.20 1 69 13 ASN HA H 4.66 0.02 1 70 13 ASN CB C 38.9 0.20 1 71 13 ASN HB2 H 2.84 0.02 2 72 13 ASN HB3 H 2.84 0.02 2 73 14 GLN N N 120.5 0.25 1 74 14 GLN HN H 8.35 0.02 1 75 14 GLN CA C 57.4 0.20 1 76 14 GLN HA H 4.18 0.02 1 77 14 GLN CB C 28.9 0.20 1 78 14 GLN HB2 H 1.98 0.02 2 79 14 GLN HB3 H 1.94 0.02 2 80 14 GLN HG2 H 2.22 0.02 2 81 14 GLN HG3 H 2.22 0.02 2 82 15 PHE N N 120.3 0.25 1 83 15 PHE HN H 8.14 0.02 1 84 15 PHE CA C 59.4 0.20 1 85 15 PHE HA H 4.47 0.02 1 86 15 PHE CB C 39.2 0.20 1 87 15 PHE HB2 H 3.05 0.02 2 88 15 PHE HB3 H 3.05 0.02 2 89 15 PHE HD1 H 7.12 0.02 3 90 16 TYR N N 120.2 0.25 1 91 16 TYR HN H 8.01 0.02 1 92 16 TYR CA C 59.7 0.20 1 93 16 TYR HA H 4.36 0.02 1 94 16 TYR CB C 38.8 0.20 1 95 16 TYR HB2 H 3.06 0.02 2 96 16 TYR HB3 H 3.02 0.02 2 97 16 TYR HD1 H 7.12 0.02 3 98 16 TYR HE1 H 6.82 0.02 3 99 17 GLN N N 120.3 0.25 1 100 17 GLN HN H 8.25 0.02 1 101 17 GLN CA C 57.6 0.20 1 102 17 GLN HA H 4.16 0.02 1 103 17 GLN HB2 H 2.17 0.02 2 104 17 GLN HB3 H 2.06 0.02 2 105 17 GLN HG2 H 2.42 0.02 2 106 17 GLN HG3 H 2.42 0.02 2 107 18 GLN N N 121.0 0.25 1 108 18 GLN HN H 8.32 0.02 1 109 18 GLN CA C 58.5 0.20 1 110 18 GLN HA H 4.13 0.02 1 111 18 GLN CB C 28.7 0.20 1 112 18 GLN HB2 H 2.13 0.02 2 113 18 GLN HB3 H 2.13 0.02 2 114 18 GLN HG2 H 2.42 0.02 2 115 18 GLN HG3 H 2.42 0.02 2 116 19 LYS N N 120.7 0.25 1 117 19 LYS HN H 8.23 0.02 1 118 19 LYS CA C 58.6 0.20 1 119 19 LYS HA H 4.11 0.02 1 120 19 LYS CB C 32.4 0.20 1 121 19 LYS HB2 H 1.80 0.02 2 122 19 LYS HB3 H 1.80 0.02 2 123 19 LYS HG2 H 1.43 0.02 2 124 19 LYS HG3 H 1.35 0.02 2 125 20 GLN N N 119.8 0.25 1 126 20 GLN HN H 8.07 0.02 1 127 20 GLN CA C 58.2 0.20 1 128 20 GLN HA H 4.22 0.02 1 129 20 GLN CB C 29.4 0.20 1 130 20 GLN HB2 H 2.13 0.02 2 131 20 GLN HB3 H 2.04 0.02 2 132 20 GLN HG2 H 2.38 0.02 2 133 20 GLN HG3 H 2.29 0.02 2 134 21 ARG N N 121.0 0.25 1 135 21 ARG HN H 8.17 0.02 1 136 21 ARG CA C 59.4 0.20 1 137 21 ARG HA H 4.03 0.02 1 138 21 ARG CB C 30.5 0.20 1 139 21 ARG HB2 H 1.88 0.02 2 140 21 ARG HB3 H 1.88 0.02 2 141 21 ARG HG2 H 1.70 0.02 2 142 21 ARG HG3 H 1.62 0.02 2 143 21 ARG HD2 H 3.21 0.02 2 144 21 ARG HD3 H 3.21 0.02 2 145 22 GLN N N 120.0 0.25 1 146 22 GLN HN H 8.21 0.02 1 147 22 GLN CA C 58.6 0.20 1 148 22 GLN HA H 4.10 0.02 1 149 22 GLN CB C 28.6 0.20 1 150 22 GLN HB2 H 2.15 0.02 2 151 22 GLN HB3 H 2.15 0.02 2 152 22 GLN HG2 H 2.44 0.02 2 153 22 GLN HG3 H 2.40 0.02 2 154 23 ALA N N 123.1 0.25 1 155 23 ALA HN H 7.96 0.02 1 156 23 ALA CA C 54.9 0.20 1 157 23 ALA HA H 4.25 0.02 1 158 23 ALA CB C 18.5 0.20 1 159 23 ALA HB H 1.52 0.02 1 160 24 LEU N N 120.2 0.25 1 161 24 LEU HN H 8.16 0.02 1 162 24 LEU CA C 58.1 0.20 1 163 24 LEU HA H 4.08 0.02 1 164 24 LEU CB C 42.3 0.20 1 165 24 LEU HB2 H 1.74 0.02 2 166 24 LEU HB3 H 1.54 0.02 2 167 24 LEU HD11 H 0.69 0.02 2 168 24 LEU HD21 H 0.61 0.02 2 169 25 GLY N N 106.2 0.25 1 170 25 GLY HN H 8.41 0.02 1 171 25 GLY CA C 48.5 0.20 1 172 25 GLY HA1 H 3.99 0.02 2 173 25 GLY HA2 H 3.65 0.02 2 174 26 GLU N N 122.1 0.25 1 175 26 GLU HN H 8.02 0.02 1 176 26 GLU CA C 59.5 0.20 1 177 26 GLU HA H 4.12 0.02 1 178 26 GLU CB C 30.0 0.20 1 179 26 GLU HB2 H 2.19 0.02 2 180 26 GLU HB3 H 2.09 0.02 2 181 26 GLU HG2 H 2.45 0.02 2 182 26 GLU HG3 H 2.45 0.02 2 183 27 GLN N N 118.4 0.25 1 184 27 GLN HN H 7.86 0.02 1 185 27 GLN CA C 58.8 0.20 1 186 27 GLN HA H 4.09 0.02 1 187 27 GLN CB C 29.4 0.20 1 188 27 GLN HB2 H 2.17 0.02 2 189 27 GLN HB3 H 2.12 0.02 2 190 27 GLN HG2 H 2.58 0.02 2 191 27 GLN HG3 H 2.42 0.02 2 192 28 LEU N N 120.8 0.25 1 193 28 LEU HN H 8.72 0.02 1 194 28 LEU CA C 58.0 0.20 1 195 28 LEU HA H 3.93 0.02 1 196 28 LEU CB C 42.8 0.20 1 197 28 LEU HB2 H 1.76 0.02 2 198 28 LEU HB3 H 1.71 0.02 2 199 28 LEU HD11 H 0.92 0.02 2 200 28 LEU HD21 H 0.92 0.02 2 201 29 TYR N N 120.5 0.25 1 202 29 TYR HN H 8.76 0.02 1 203 29 TYR CA C 61.6 0.20 1 204 29 TYR HA H 4.33 0.02 1 205 29 TYR CB C 38.7 0.20 1 206 29 TYR HB2 H 3.28 0.02 2 207 29 TYR HB3 H 3.03 0.02 2 208 29 TYR HD1 H 7.05 0.02 3 209 29 TYR HE1 H 6.64 0.02 3 210 30 LYS N N 119.2 0.25 1 211 30 LYS HN H 7.64 0.02 1 212 30 LYS CA C 59.9 0.20 1 213 30 LYS HA H 3.83 0.02 1 214 30 LYS CB C 32.6 0.20 1 215 30 LYS HB2 H 1.92 0.02 2 216 30 LYS HB3 H 1.92 0.02 2 217 30 LYS HG2 H 1.71 0.02 2 218 30 LYS HG3 H 1.71 0.02 2 219 30 LYS HD2 H 1.49 0.02 2 220 30 LYS HD3 H 1.49 0.02 2 221 31 LYS N N 118.8 0.25 1 222 31 LYS HN H 7.18 0.02 1 223 31 LYS CA C 59.4 0.20 1 224 31 LYS HA H 3.84 0.02 1 225 31 LYS CB C 32.8 0.20 1 226 31 LYS HB2 H 1.43 0.02 2 227 31 LYS HB3 H 0.97 0.02 2 228 31 LYS HG2 H 1.34 0.02 2 229 31 LYS HG3 H 1.34 0.02 2 230 32 VAL N N 120.2 0.25 1 231 32 VAL HN H 8.54 0.02 1 232 32 VAL CA C 67.1 0.20 1 233 32 VAL HA H 3.56 0.02 1 234 32 VAL CB C 32.3 0.20 1 235 32 VAL HB H 2.07 0.02 1 236 32 VAL HG11 H 1.25 0.02 2 237 32 VAL HG21 H 1.09 0.02 2 238 33 SER N N 115.4 0.25 1 239 33 SER HN H 8.76 0.02 1 240 33 SER CA C 61.0 0.20 1 241 33 SER HA H 4.17 0.02 1 242 33 SER CB C 62.7 0.20 1 243 33 SER HB2 H 3.68 0.02 2 244 33 SER HB3 H 3.30 0.02 2 245 34 ALA N N 121.1 0.25 1 246 34 ALA HN H 6.88 0.02 1 247 34 ALA CA C 53.7 0.20 1 248 34 ALA HA H 4.20 0.02 1 249 34 ALA CB C 18.7 0.20 1 250 34 ALA HB H 1.41 0.02 1 251 35 LYS N N 115.9 0.25 1 252 35 LYS HN H 7.52 0.02 1 253 35 LYS CA C 56.0 0.20 1 254 35 LYS HA H 4.24 0.02 1 255 35 LYS CB C 34.0 0.20 1 256 35 LYS HB2 H 1.72 0.02 2 257 35 LYS HB3 H 1.72 0.02 2 258 35 LYS HG2 H 1.32 0.02 2 259 35 LYS HG3 H 1.32 0.02 2 260 35 LYS HD2 H 1.55 0.02 2 261 35 LYS HD3 H 1.55 0.02 2 262 36 THR CA C 60.4 0.20 1 263 36 THR HA H 4.63 0.02 1 264 36 THR CB C 70.3 0.20 1 265 36 THR HG21 H 1.18 0.02 1 266 37 SER HN H 8.46 0.02 1 267 37 SER CA C 58.7 0.20 1 268 37 SER HA H 4.49 0.02 1 269 37 SER CB C 63.7 0.20 1 270 37 SER HB2 H 4.04 0.02 2 271 37 SER HB3 H 3.93 0.02 2 272 38 ASN N N 120.6 0.25 1 273 38 ASN HN H 7.90 0.02 1 274 38 ASN CA C 53.3 0.20 1 275 38 ASN HA H 4.22 0.02 1 276 38 ASN CB C 39.7 0.20 1 277 38 ASN HB2 H 2.95 0.02 2 278 38 ASN HB3 H 2.86 0.02 2 279 38 ASN ND2 N 114.1 0.25 1 280 38 ASN HD21 H 7.79 0.02 2 281 38 ASN HD22 H 7.17 0.02 2 282 39 GLU N N 127.4 0.25 1 283 39 GLU HN H 9.01 0.02 1 284 39 GLU CA C 60.0 0.20 1 285 39 GLU HA H 4.08 0.02 1 286 39 GLU CB C 30.0 0.20 1 287 39 GLU HB2 H 2.12 0.02 2 288 39 GLU HB3 H 2.12 0.02 2 289 39 GLU HG2 H 2.44 0.02 2 290 39 GLU HG3 H 2.44 0.02 2 291 40 GLU N N 123.1 0.25 1 292 40 GLU HN H 8.33 0.02 1 293 40 GLU CA C 59.7 0.20 1 294 40 GLU HA H 4.13 0.02 1 295 40 GLU CB C 29.4 0.20 1 296 40 GLU HB2 H 2.23 0.02 2 297 40 GLU HB3 H 2.23 0.02 2 298 40 GLU HG2 H 2.35 0.02 2 299 40 GLU HG3 H 2.35 0.02 2 300 41 ALA N N 123.1 0.25 1 301 41 ALA HN H 7.99 0.02 1 302 41 ALA CA C 54.7 0.20 1 303 41 ALA HA H 3.35 0.02 1 304 41 ALA CB C 18.6 0.20 1 305 41 ALA HB H 1.26 0.02 1 306 42 ALA N N 118.8 0.25 1 307 42 ALA HN H 8.45 0.02 1 308 42 ALA CA C 55.3 0.20 1 309 42 ALA HA H 3.81 0.02 1 310 42 ALA CB C 17.7 0.20 1 311 42 ALA HB H 1.29 0.02 1 312 43 GLY N N 107.5 0.25 1 313 43 GLY HN H 8.45 0.02 1 314 43 GLY CA C 47.8 0.20 1 315 43 GLY HA1 H 4.22 0.02 2 316 43 GLY HA2 H 3.94 0.02 2 317 44 LYS N N 123.4 0.25 1 318 44 LYS HN H 7.91 0.02 1 319 44 LYS CA C 58.5 0.20 1 320 44 LYS HA H 4.41 0.02 1 321 44 LYS CB C 32.5 0.20 1 322 44 LYS HB2 H 1.78 0.02 2 323 44 LYS HB3 H 1.68 0.02 2 324 44 LYS HG2 H 1.57 0.02 2 325 44 LYS HG3 H 1.57 0.02 2 326 45 ILE N N 121.5 0.25 1 327 45 ILE HN H 8.98 0.02 1 328 45 ILE CA C 66.2 0.20 1 329 45 ILE HA H 3.64 0.02 1 330 45 ILE CB C 38.2 0.20 1 331 45 ILE HB H 1.69 0.02 1 332 45 ILE HG21 H 0.59 0.02 1 333 45 ILE HG12 H 1.46 0.02 2 334 45 ILE HD11 H 0.82 0.02 1 335 46 THR N N 116.2 0.25 1 336 46 THR HN H 7.92 0.02 1 337 46 THR CA C 68.2 0.20 1 338 46 THR HA H 3.66 0.02 1 339 46 THR CB C 68.8 0.20 1 340 46 THR HB H 4.37 0.02 1 341 46 THR HG21 H 1.26 0.02 1 342 47 GLY N N 106.5 0.25 1 343 47 GLY HN H 7.79 0.02 1 344 47 GLY CA C 47.6 0.20 1 345 47 GLY HA1 H 3.90 0.02 2 346 47 GLY HA2 H 3.68 0.02 2 347 48 MET N N 119.8 0.25 1 348 48 MET HN H 7.83 0.02 1 349 48 MET CA C 59.3 0.20 1 350 48 MET HA H 4.15 0.02 1 351 48 MET CB C 33.9 0.20 1 352 48 MET HB2 H 2.21 0.02 2 353 48 MET HB3 H 2.15 0.02 2 354 48 MET HG2 H 2.79 0.02 2 355 48 MET HG3 H 2.58 0.02 2 356 49 ILE N N 121.6 0.25 1 357 49 ILE HN H 7.87 0.02 1 358 49 ILE CA C 65.3 0.20 1 359 49 ILE HA H 3.69 0.02 1 360 49 ILE CB C 38.2 0.20 1 361 49 ILE HB H 1.90 0.02 1 362 49 ILE HG21 H 0.86 0.02 1 363 49 ILE HD11 H 0.72 0.02 1 364 50 LEU N N 117.0 0.25 1 365 50 LEU HN H 8.07 0.02 1 366 50 LEU CA C 56.2 0.20 1 367 50 LEU HA H 4.01 0.02 1 368 50 LEU CB C 42.3 0.20 1 369 50 LEU HB2 H 1.75 0.02 2 370 50 LEU HB3 H 1.66 0.02 2 371 50 LEU HD11 H 0.86 0.02 2 372 50 LEU HD21 H 0.79 0.02 2 373 51 ASP N N 117.9 0.25 1 374 51 ASP HN H 7.15 0.02 1 375 51 ASP CA C 55.3 0.20 1 376 51 ASP HA H 4.69 0.02 1 377 51 ASP CB C 41.3 0.20 1 378 51 ASP HB2 H 2.71 0.02 2 379 51 ASP HB3 H 2.71 0.02 2 380 52 LEU N N 122.6 0.25 1 381 52 LEU HN H 7.61 0.02 1 382 52 LEU CA C 54.1 0.20 1 383 52 LEU HA H 4.40 0.02 1 384 52 LEU CB C 40.6 0.20 1 385 52 LEU HB2 H 1.95 0.02 2 386 52 LEU HB3 H 1.86 0.02 2 387 52 LEU HG H 1.26 0.02 1 388 52 LEU HD11 H 0.92 0.02 2 389 52 LEU HD21 H 0.84 0.02 2 390 54 PRO CA C 66.2 0.20 1 391 54 PRO HA H 4.00 0.02 1 392 54 PRO CB C 32.0 0.20 1 393 55 GLN N N 114.2 0.25 1 394 55 GLN HN H 8.96 0.02 1 395 55 GLN CA C 58.6 0.20 1 396 55 GLN HA H 4.24 0.02 1 397 55 GLN CB C 27.7 0.20 1 398 55 GLN HB2 H 2.14 0.02 2 399 55 GLN HB3 H 2.14 0.02 2 400 55 GLN HG2 H 2.58 0.02 2 401 55 GLN HG3 H 2.44 0.02 2 402 55 GLN HE21 H 6.97 0.02 2 403 55 GLN HE22 H 7.72 0.02 2 404 56 GLU N N 118.2 0.25 1 405 56 GLU HN H 8.10 0.02 1 406 56 GLU CA C 56.9 0.20 1 407 56 GLU HA H 4.32 0.02 1 408 56 GLU CB C 31.0 0.20 1 409 56 GLU HB2 H 2.15 0.02 2 410 56 GLU HB3 H 1.99 0.02 2 411 56 GLU HG2 H 2.32 0.02 2 412 56 GLU HG3 H 2.32 0.02 2 413 57 VAL N N 119.8 0.25 1 414 57 VAL HN H 7.51 0.02 1 415 57 VAL CA C 65.1 0.20 1 416 57 VAL HA H 3.67 0.02 1 417 57 VAL CB C 32.5 0.20 1 418 57 VAL HB H 1.85 0.02 1 419 57 VAL HG11 H 0.90 0.02 2 420 57 VAL HG21 H 0.78 0.02 2 421 58 PHE N N 118.5 0.25 1 422 58 PHE HN H 7.85 0.02 1 423 58 PHE CA C 59.1 0.20 1 424 58 PHE HA H 4.30 0.02 1 425 58 PHE CB C 36.9 0.20 1 426 58 PHE HB2 H 3.21 0.02 2 427 58 PHE HB3 H 3.08 0.02 2 428 58 PHE HD1 H 7.30 0.02 3 429 59 PRO CA C 66.1 0.20 1 430 59 PRO CB C 32.0 0.20 1 431 60 LEU N N 115.4 0.25 1 432 60 LEU HN H 7.68 0.02 1 433 60 LEU CA C 57.4 0.20 1 434 60 LEU HA H 4.20 0.02 1 435 60 LEU CB C 41.2 0.20 1 436 60 LEU HB2 H 2.14 0.02 2 437 60 LEU HB3 H 2.09 0.02 2 438 60 LEU HG H 1.63 0.02 1 439 60 LEU HD11 H 0.74 0.02 2 440 60 LEU HD21 H 0.60 0.02 2 441 61 LEU N N 114.9 0.25 1 442 61 LEU HN H 7.53 0.02 1 443 61 LEU HA H 3.98 0.02 1 444 61 LEU CB C 41.0 0.20 1 445 61 LEU HB2 H 1.90 0.02 2 446 61 LEU HB3 H 1.61 0.02 2 447 61 LEU HG H 1.77 0.02 1 448 61 LEU HD11 H 0.91 0.02 2 449 61 LEU HD21 H 0.71 0.02 2 450 62 GLU N N 115.5 0.25 1 451 62 GLU HN H 7.16 0.02 1 452 62 GLU CA C 56.4 0.20 1 453 62 GLU HA H 4.45 0.02 1 454 62 GLU CB C 31.8 0.20 1 455 62 GLU HB2 H 1.89 0.02 2 456 62 GLU HB3 H 1.89 0.02 2 457 62 GLU HG2 H 2.24 0.02 2 458 62 GLU HG3 H 2.17 0.02 2 459 63 SER N N 113.6 0.25 1 460 63 SER HN H 7.33 0.02 1 461 63 SER CA C 55.8 0.20 1 462 63 SER HA H 4.90 0.02 1 463 63 SER CB C 63.6 0.20 1 464 63 SER HB2 H 3.96 0.02 2 465 63 SER HB3 H 3.87 0.02 2 466 64 ASP N N 131.5 0.25 1 467 64 ASP HN H 9.08 0.02 1 468 64 ASP CA C 58.0 0.20 1 469 64 ASP HA H 4.65 0.02 1 470 64 ASP CB C 40.6 0.20 1 471 64 ASP HB2 H 2.80 0.02 2 472 64 ASP HB3 H 2.68 0.02 2 473 65 GLU N N 120.5 0.25 1 474 65 GLU HN H 8.65 0.02 1 475 65 GLU CA C 60.0 0.20 1 476 65 GLU HA H 4.14 0.02 1 477 65 GLU CB C 29.7 0.20 1 478 65 GLU HB2 H 2.05 0.02 2 479 65 GLU HB3 H 1.95 0.02 2 480 65 GLU HG2 H 2.32 0.02 2 481 65 GLU HG3 H 2.32 0.02 2 482 66 LEU N N 120.6 0.25 1 483 66 LEU HN H 7.90 0.02 1 484 66 LEU CA C 57.6 0.20 1 485 66 LEU HA H 4.30 0.02 1 486 66 LEU CB C 42.4 0.20 1 487 66 LEU HB2 H 1.85 0.02 2 488 66 LEU HB3 H 1.80 0.02 2 489 66 LEU HG H 1.62 0.02 1 490 66 LEU HD11 H 1.05 0.02 2 491 66 LEU HD21 H 0.94 0.02 2 492 67 PHE N N 121.3 0.25 1 493 67 PHE HN H 8.71 0.02 1 494 67 PHE CA C 63.6 0.20 1 495 67 PHE HA H 4.12 0.02 1 496 67 PHE CB C 38.2 0.20 1 497 67 PHE HB2 H 3.95 0.02 2 498 67 PHE HB3 H 3.30 0.02 2 499 67 PHE HD1 H 7.20 0.02 3 500 67 PHE HZ H 6.95 0.02 1 501 68 GLU N N 119.8 0.25 1 502 68 GLU HN H 8.94 0.02 1 503 68 GLU CA C 60.0 0.20 1 504 68 GLU HA H 3.76 0.02 1 505 68 GLU CB C 29.2 0.20 1 506 68 GLU HB2 H 2.25 0.02 2 507 68 GLU HB3 H 2.16 0.02 2 508 68 GLU HG2 H 2.53 0.02 2 509 68 GLU HG3 H 2.44 0.02 2 510 69 GLN N N 118.3 0.25 1 511 69 GLN HN H 7.70 0.02 1 512 69 GLN CA C 59.4 0.20 1 513 69 GLN HA H 4.05 0.02 1 514 69 GLN CB C 28.7 0.20 1 515 69 GLN HB2 H 2.25 0.02 2 516 69 GLN HB3 H 2.12 0.02 2 517 69 GLN HG2 H 2.44 0.02 2 518 69 GLN HG3 H 2.44 0.02 2 519 70 HIS N N 117.0 0.25 1 520 70 HIS HN H 7.81 0.02 1 521 70 HIS CA C 59.9 0.20 1 522 70 HIS HA H 4.26 0.02 1 523 70 HIS CB C 29.1 0.20 1 524 70 HIS HB2 H 3.01 0.02 2 525 70 HIS HB3 H 3.01 0.02 2 526 70 HIS HD2 H 7.23 0.02 1 527 70 HIS HE1 H 8.41 0.02 1 528 71 TYR N N 123.1 0.25 1 529 71 TYR HN H 9.40 0.02 1 530 71 TYR CA C 63.0 0.20 1 531 71 TYR HA H 3.63 0.02 1 532 71 TYR CB C 38.0 0.20 1 533 71 TYR HB2 H 2.66 0.02 2 534 71 TYR HB3 H 2.07 0.02 2 535 71 TYR HD1 H 6.84 0.02 3 536 71 TYR HE1 H 6.77 0.02 3 537 72 LYS N N 121.3 0.25 1 538 72 LYS HN H 8.41 0.02 1 539 72 LYS CA C 60.4 0.20 1 540 72 LYS HA H 3.74 0.02 1 541 72 LYS CB C 32.5 0.20 1 542 72 LYS HB2 H 1.99 0.02 2 543 72 LYS HB3 H 1.92 0.02 2 544 72 LYS HG2 H 1.73 0.02 2 545 72 LYS HG3 H 1.73 0.02 2 546 72 LYS HD2 H 1.47 0.02 2 547 72 LYS HD3 H 1.47 0.02 2 548 73 GLU N N 118.7 0.25 1 549 73 GLU HN H 7.28 0.02 1 550 73 GLU CA C 59.3 0.20 1 551 73 GLU HA H 4.05 0.02 1 552 73 GLU CB C 30.0 0.20 1 553 73 GLU HB2 H 2.03 0.02 2 554 73 GLU HB3 H 2.03 0.02 2 555 73 GLU HG2 H 2.39 0.02 2 556 73 GLU HG3 H 2.23 0.02 2 557 74 ALA N N 123.4 0.25 1 558 74 ALA HN H 8.24 0.02 1 559 74 ALA CA C 54.8 0.20 1 560 74 ALA HA H 4.28 0.02 1 561 74 ALA CB C 19.7 0.20 1 562 74 ALA HB H 1.42 0.02 1 563 75 SER N N 113.8 0.25 1 564 75 SER HN H 8.72 0.02 1 565 75 SER CA C 62.5 0.20 1 566 75 SER HA H 3.93 0.02 1 567 75 SER CB C 62.6 0.20 1 568 75 SER HB2 H 3.52 0.02 2 569 75 SER HB3 H 3.48 0.02 2 570 76 ALA N N 123.8 0.25 1 571 76 ALA HN H 7.57 0.02 1 572 76 ALA CA C 55.2 0.20 1 573 76 ALA HA H 4.21 0.02 1 574 76 ALA CB C 18.1 0.20 1 575 76 ALA HB H 1.50 0.02 1 576 77 ALA N N 122.4 0.25 1 577 77 ALA HN H 7.75 0.02 1 578 77 ALA CA C 55.1 0.20 1 579 77 ALA HA H 4.17 0.02 1 580 77 ALA CB C 18.2 0.20 1 581 77 ALA HB H 1.52 0.02 1 582 78 TYR N N 121.5 0.25 1 583 78 TYR HN H 8.67 0.02 1 584 78 TYR CA C 61.5 0.20 1 585 78 TYR HA H 4.18 0.02 1 586 78 TYR CB C 38.6 0.20 1 587 78 TYR HB2 H 3.15 0.02 2 588 78 TYR HB3 H 3.05 0.02 2 589 78 TYR HD1 H 7.09 0.02 3 590 78 TYR HE1 H 6.78 0.02 3 591 79 GLU N N 119.0 0.25 1 592 79 GLU HN H 8.38 0.02 1 593 79 GLU CA C 59.4 0.20 1 594 79 GLU HA H 3.76 0.02 1 595 79 GLU CB C 29.4 0.20 1 596 79 GLU HB2 H 2.08 0.02 2 597 79 GLU HB3 H 2.08 0.02 2 598 79 GLU HG2 H 2.45 0.02 2 599 79 GLU HG3 H 2.45 0.02 2 600 80 SER N N 115.0 0.25 1 601 80 SER HN H 7.91 0.02 1 602 80 SER CA C 61.7 0.20 1 603 80 SER HA H 4.19 0.02 1 604 80 SER CB C 63.2 0.20 1 605 80 SER HB2 H 3.95 0.02 2 606 80 SER HB3 H 3.95 0.02 2 607 81 PHE N N 123.4 0.25 1 608 81 PHE HN H 7.91 0.02 1 609 81 PHE CA C 60.0 0.20 1 610 81 PHE HA H 4.18 0.02 1 611 81 PHE CB C 38.4 0.20 1 612 81 PHE HB2 H 3.22 0.02 2 613 81 PHE HB3 H 3.22 0.02 2 614 81 PHE HD1 H 7.21 0.02 3 615 82 LYS N N 120.6 0.25 1 616 82 LYS HN H 8.10 0.02 1 617 82 LYS CA C 58.3 0.20 1 618 82 LYS HA H 3.77 0.02 1 619 82 LYS CB C 31.9 0.20 1 620 82 LYS HB2 H 1.64 0.02 2 621 82 LYS HB3 H 1.55 0.02 2 622 82 LYS HG2 H 1.21 0.02 2 623 82 LYS HG3 H 1.21 0.02 2 624 83 LYS N N 119.8 0.25 1 625 83 LYS HN H 7.78 0.02 1 626 83 LYS CA C 58.4 0.20 1 627 83 LYS HA H 4.09 0.02 1 628 83 LYS CB C 32.5 0.20 1 629 83 LYS HB2 H 1.87 0.02 2 630 83 LYS HB3 H 1.87 0.02 2 631 83 LYS HG2 H 1.65 0.02 2 632 83 LYS HG3 H 1.54 0.02 2 633 84 GLU N N 120.0 0.25 1 634 84 GLU HN H 7.88 0.02 1 635 84 GLU CA C 58.4 0.20 1 636 84 GLU HA H 4.09 0.02 1 637 84 GLU CB C 29.8 0.20 1 638 84 GLU HB2 H 2.03 0.02 2 639 84 GLU HB3 H 2.03 0.02 2 640 84 GLU HG2 H 2.35 0.02 2 641 84 GLU HG3 H 2.23 0.02 2 642 85 GLN N N 118.8 0.25 1 643 85 GLN HN H 7.90 0.02 1 644 85 GLN CA C 57.3 0.20 1 645 85 GLN HA H 4.08 0.02 1 646 85 GLN CB C 29.4 0.20 1 647 85 GLN HB2 H 2.03 0.02 2 648 85 GLN HB3 H 1.89 0.02 2 649 85 GLN HG2 H 2.13 0.02 2 650 85 GLN HG3 H 2.13 0.02 2 651 86 GLU N N 120.5 0.25 1 652 86 GLU HN H 7.98 0.02 1 653 86 GLU CA C 57.6 0.20 1 654 86 GLU HA H 4.17 0.02 1 655 86 GLU CB C 30.1 0.20 1 656 86 GLU HB2 H 2.04 0.02 2 657 86 GLU HB3 H 2.04 0.02 2 658 86 GLU HG2 H 2.37 0.02 2 659 86 GLU HG3 H 2.25 0.02 2 660 87 GLN N N 119.8 0.25 1 661 87 GLN HN H 8.03 0.02 1 662 87 GLN CA C 56.5 0.20 1 663 87 GLN HA H 4.28 0.02 1 664 87 GLN CB C 29.4 0.20 1 665 87 GLN HB2 H 2.14 0.02 2 666 87 GLN HB3 H 2.04 0.02 2 667 87 GLN HG2 H 2.41 0.02 2 668 87 GLN HG3 H 2.41 0.02 2 669 88 GLN N N 121.1 0.25 1 670 88 GLN HN H 8.20 0.02 1 671 88 GLN CA C 56.2 0.20 1 672 88 GLN HA H 4.38 0.02 1 673 88 GLN CB C 29.4 0.20 1 674 88 GLN HB2 H 2.14 0.02 2 675 88 GLN HB3 H 2.04 0.02 2 676 88 GLN HG2 H 2.41 0.02 2 677 88 GLN HG3 H 2.41 0.02 2 678 89 THR N N 115.6 0.25 1 679 89 THR HN H 8.12 0.02 1 680 89 THR CA C 62.3 0.20 1 681 89 THR HA H 4.32 0.02 1 682 89 THR CB C 70.0 0.20 1 683 89 THR HB H 4.22 0.02 1 684 89 THR HG21 H 1.22 0.02 1 685 90 GLU N N 123.6 0.25 1 686 90 GLU HN H 8.38 0.02 1 687 90 GLU CA C 56.8 0.20 1 688 90 GLU HA H 4.32 0.02 1 689 90 GLU CB C 30.6 0.20 1 690 91 GLN N N 122.5 0.25 1 691 91 GLN HN H 8.35 0.02 1 692 91 GLN CA C 55.9 0.20 1 693 91 GLN CB C 29.8 0.20 1 694 92 ALA N N 132.2 0.25 1 695 92 ALA HN H 8.01 0.02 1 696 92 ALA CA C 54.0 0.20 1 697 92 ALA CB C 20.3 0.20 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity # # Sets of Atom-shift Assignment Ambiguities # # ------------------------------------------ # Example: 5,4,7 # stop_
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