NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
6675 |
1jcu   |
5051 | cing | recoord | 1-original | 3 | 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 1 MET N N 121.0 0.25 1 2 1 MET HN H 7.94 0.01 1 3 1 MET CA C 55.8 0.20 1 4 1 MET HA H 4.26 0.01 1 5 1 MET CB C 33.7 0.20 1 6 1 MET HB2 H 2.18 0.01 2 7 1 MET HB3 H 1.93 0.01 2 8 2 LEU N N 125.2 0.25 1 9 2 LEU HN H 7.72 0.01 1 10 2 LEU CA C 53.7 0.20 1 11 2 LEU HA H 4.57 0.01 1 12 2 LEU CB C 43.6 0.20 1 13 2 LEU HB2 H 1.75 0.01 2 14 2 LEU HB3 H 1.45 0.01 2 15 2 LEU HG H 1.67 0.01 1 16 2 LEU HD11 H 0.91 0.01 2 17 2 LEU HD21 H 0.91 0.01 2 18 3 ILE N N 122.0 0.25 1 19 3 ILE HN H 8.31 0.01 1 20 3 ILE CA C 60.0 0.20 1 21 3 ILE HA H 4.80 0.01 1 22 3 ILE CB C 38.8 0.20 1 23 3 ILE HB H 1.77 0.01 1 24 3 ILE HG21 H 0.91 0.01 1 25 3 ILE HD11 H 0.76 0.01 1 26 4 ARG N N 125.7 0.25 1 27 4 ARG HN H 9.03 0.01 1 28 4 ARG CA C 51.9 0.20 1 29 4 ARG HA H 4.80 0.01 1 30 4 ARG CB C 32.7 0.20 1 31 4 ARG HB2 H 1.76 0.01 2 32 4 ARG HB3 H 1.69 0.01 2 33 4 ARG HG2 H 1.50 0.01 2 34 4 ARG HG3 H 1.50 0.01 2 35 5 LYS N N 123.2 0.25 1 36 5 LYS HN H 8.47 0.01 1 37 5 LYS CA C 55.6 0.20 1 38 5 LYS HA H 4.93 0.01 1 39 5 LYS CB C 32.5 0.20 1 40 5 LYS HB2 H 1.81 0.01 2 41 5 LYS HB3 H 1.81 0.01 2 42 5 LYS HG2 H 1.55 0.01 2 43 5 LYS HG3 H 1.49 0.01 2 44 5 LYS HE2 H 3.33 0.01 2 45 5 LYS HE3 H 3.06 0.01 2 46 6 ILE N N 121.5 0.25 1 47 6 ILE HN H 8.42 0.01 1 48 6 ILE CA C 58.7 0.20 1 49 6 ILE HA H 4.72 0.01 1 50 6 ILE CB C 43.0 0.20 1 51 6 ILE HB H 1.67 0.01 1 52 6 ILE HG21 H 0.71 0.01 1 53 6 ILE HG12 H 1.34 0.01 2 54 6 ILE HG13 H 1.25 0.01 2 55 6 ILE HD11 H 0.94 0.01 1 56 7 THR N N 114.0 0.25 1 57 7 THR HN H 7.79 0.01 1 58 7 THR CA C 58.7 0.20 1 59 7 THR HA H 4.71 0.01 1 60 7 THR CB C 69.4 0.20 1 61 7 THR HB H 4.45 0.01 1 62 7 THR HG21 H 1.67 0.01 1 63 8 ARG N N 118.1 0.25 1 64 8 ARG HN H 8.27 0.01 1 65 8 ARG HA H 3.99 0.01 1 66 8 ARG HB2 H 1.87 0.01 2 67 8 ARG HB3 H 1.68 0.01 2 68 8 ARG HG2 H 1.24 0.01 2 69 8 ARG HG3 H 1.24 0.01 2 70 9 LYS N N 114.9 0.25 1 71 9 LYS HN H 7.65 0.01 1 72 9 LYS CA C 54.4 0.20 1 73 9 LYS HA H 4.45 0.01 1 74 9 LYS CB C 32.5 0.20 1 75 9 LYS HB2 H 1.74 0.01 2 76 9 LYS HB3 H 1.74 0.01 2 77 9 LYS HG2 H 1.40 0.01 2 78 9 LYS HG3 H 1.40 0.01 2 79 10 ASN N N 119.0 0.25 1 80 10 ASN HN H 8.79 0.01 1 81 10 ASN HA H 4.56 0.01 1 82 10 ASN HB2 H 3.58 0.01 2 83 10 ASN HB3 H 3.28 0.01 2 84 13 PRO CA C 64.2 0.20 1 85 13 PRO HA H 4.37 0.01 1 86 13 PRO CB C 31.6 0.20 1 87 13 PRO HB2 H 2.14 0.01 2 88 13 PRO HB3 H 2.05 0.01 2 89 14 ASP N N 116.0 0.25 1 90 14 ASP HN H 7.96 0.01 1 91 14 ASP CA C 56.4 0.20 1 92 14 ASP HA H 4.20 0.01 1 93 14 ASP CB C 39.8 0.20 1 94 14 ASP HB2 H 2.73 0.01 2 95 14 ASP HB3 H 2.50 0.01 2 96 15 VAL N N 120.4 0.25 1 97 15 VAL HN H 7.37 0.01 1 98 15 VAL CA C 64.8 0.20 1 99 15 VAL HA H 3.92 0.01 1 100 15 VAL CB C 31.5 0.20 1 101 15 VAL HB H 2.03 0.01 1 102 15 VAL HG11 H 1.14 0.01 2 103 15 VAL HG21 H 0.93 0.01 2 104 16 LEU N N 118.6 0.25 1 105 16 LEU HN H 7.46 0.01 1 106 16 LEU CA C 57.6 0.20 1 107 16 LEU CB C 40.5 0.20 1 108 16 LEU HB2 H 1.79 0.01 2 109 16 LEU HB3 H 1.20 0.01 2 110 16 LEU HD11 H 0.77 0.01 2 111 16 LEU HD21 H 0.77 0.01 2 112 17 GLU N N 116.5 0.25 1 113 17 GLU HN H 8.15 0.01 1 114 17 GLU CA C 58.8 0.20 1 115 17 GLU HA H 3.99 0.01 1 116 17 GLU CB C 28.5 0.20 1 117 17 GLU HB2 H 2.12 0.01 2 118 17 GLU HB3 H 2.09 0.01 2 119 17 GLU HG2 H 2.34 0.01 2 120 17 GLU HG3 H 2.34 0.01 2 121 18 GLU N N 121.3 0.25 1 122 18 GLU HN H 7.67 0.01 1 123 18 GLU CA C 59.1 0.20 1 124 18 GLU HA H 4.05 0.01 1 125 18 GLU CB C 29.0 0.20 1 126 18 GLU HB2 H 2.12 0.01 2 127 18 GLU HB3 H 2.12 0.01 2 128 18 GLU HG2 H 2.33 0.01 2 129 18 GLU HG3 H 2.33 0.01 2 130 19 ALA N N 120.2 0.25 1 131 19 ALA HN H 8.00 0.01 1 132 19 ALA CA C 54.8 0.20 1 133 19 ALA HA H 3.92 0.01 1 134 19 ALA CB C 17.6 0.20 1 135 19 ALA HB H 1.51 0.01 1 136 20 ILE N N 118.1 0.25 1 137 20 ILE HN H 8.28 0.01 1 138 20 ILE HA H 3.57 0.01 1 139 20 ILE HB H 1.52 0.01 1 140 20 ILE HG21 H 1.00 0.01 1 141 20 ILE HD11 H 0.79 0.01 1 142 21 SER N N 122.7 0.25 1 143 21 SER HN H 8.52 0.01 1 144 21 SER CA C 61.7 0.20 1 145 21 SER HA H 3.74 0.01 1 146 21 SER CB C 66.0 0.20 1 147 21 SER HB2 H 4.13 0.01 2 148 21 SER HB3 H 4.04 0.01 2 149 22 VAL N N 118.1 0.25 1 150 22 VAL HN H 8.27 0.01 1 151 22 VAL CA C 65.8 0.20 1 152 22 VAL HA H 3.91 0.01 1 153 22 VAL CB C 30.8 0.20 1 154 22 VAL HB H 2.01 0.01 1 155 22 VAL HG11 H 0.96 0.01 2 156 22 VAL HG21 H 0.96 0.01 2 157 23 MET N N 119.3 0.25 1 158 23 MET HN H 8.12 0.01 1 159 23 MET CA C 58.9 0.20 1 160 23 MET HA H 4.40 0.01 1 161 23 MET CB C 34.2 0.20 1 162 23 MET HB2 H 2.04 0.01 2 163 23 MET HB3 H 1.89 0.01 2 164 23 MET HG2 H 2.81 0.01 2 165 23 MET HG3 H 2.74 0.01 2 166 24 GLU N N 125.7 0.25 1 167 24 GLU HN H 9.70 0.01 1 168 24 GLU CA C 59.6 0.20 1 169 24 GLU HA H 3.76 0.01 1 170 24 GLU CB C 29.3 0.20 1 171 24 GLU HB2 H 2.50 0.01 2 172 24 GLU HB3 H 2.28 0.01 2 173 24 GLU HG2 H 2.43 0.01 2 174 24 GLU HG3 H 2.43 0.01 2 175 25 GLY N N 103.0 0.25 1 176 25 GLY HN H 7.53 0.01 1 177 25 GLY CA C 44.6 0.20 1 178 25 GLY HA1 H 4.40 0.01 2 179 25 GLY HA2 H 3.84 0.01 2 180 26 GLY N N 106.2 0.25 1 181 26 GLY HN H 7.82 0.01 1 182 26 GLY CA C 44.5 0.20 1 183 26 GLY HA1 H 4.38 0.01 2 184 26 GLY HA2 H 3.75 0.01 2 185 27 GLY N N 106.6 0.25 1 186 27 GLY HN H 8.13 0.01 1 187 27 GLY CA C 43.9 0.20 1 188 27 GLY HA1 H 4.30 0.01 2 189 27 GLY HA2 H 3.39 0.01 2 190 28 ILE N N 116.5 0.25 1 191 28 ILE HN H 9.15 0.01 1 192 28 ILE CA C 59.6 0.20 1 193 28 ILE HA H 4.98 0.01 1 194 28 ILE CB C 40.9 0.20 1 195 28 ILE HB H 1.55 0.01 1 196 28 ILE HG21 H 0.86 0.01 1 197 28 ILE HD11 H 0.80 0.01 1 198 29 VAL N N 124.8 0.25 1 199 29 VAL HN H 9.30 0.01 1 200 29 VAL CA C 58.5 0.20 1 201 29 VAL HA H 5.52 0.01 1 202 29 VAL CB C 35.2 0.20 1 203 29 VAL HB H 2.11 0.01 1 204 29 VAL HG11 H 1.02 0.01 2 205 29 VAL HG21 H 0.87 0.01 2 206 30 ILE N N 125.4 0.25 1 207 30 ILE HN H 8.71 0.01 1 208 30 ILE CA C 60.6 0.20 1 209 30 ILE HA H 5.36 0.01 1 210 30 ILE CB C 38.8 0.20 1 211 30 ILE HB H 1.75 0.01 1 212 30 ILE HG21 H 0.84 0.01 1 213 30 ILE HD11 H 0.94 0.01 1 214 31 TYR N N 124.5 0.25 1 215 31 TYR HN H 8.99 0.01 1 216 31 TYR HA H 5.72 0.01 1 217 31 TYR HB2 H 2.75 0.01 2 218 31 TYR HB3 H 2.56 0.01 2 219 31 TYR HD1 H 6.87 0.01 3 220 31 TYR HE1 H 6.58 0.01 3 221 31 TYR HH H 10.38 0.01 1 222 32 PRO CA C 61.8 0.20 1 223 32 PRO HA H 3.65 0.01 1 224 32 PRO CB C 30.3 0.20 1 225 32 PRO HB2 H 1.73 0.01 2 226 32 PRO HB3 H 1.64 0.01 2 227 33 THR N N 106.9 0.25 1 228 33 THR HN H 6.81 0.01 1 229 33 THR CA C 59.6 0.20 1 230 33 THR HA H 4.61 0.01 1 231 33 THR CB C 69.8 0.20 1 232 33 THR HB H 4.26 0.01 1 233 33 THR HG21 H 0.88 0.01 1 234 34 ASP N N 113.5 0.25 1 235 34 ASP HN H 9.27 0.01 1 236 34 ASP CA C 55.4 0.20 1 237 34 ASP HA H 4.16 0.01 1 238 34 ASP CB C 38.2 0.20 1 239 34 ASP HB2 H 2.74 0.01 2 240 34 ASP HB3 H 2.46 0.01 2 241 35 THR N N 112.2 0.25 1 242 35 THR HN H 8.36 0.01 1 243 35 THR HA H 4.55 0.01 1 244 35 THR HB H 4.50 0.01 1 245 35 THR HG21 H 0.93 0.01 1 246 36 ILE N N 118.2 0.25 1 247 36 ILE HN H 8.27 0.01 1 248 36 ILE CA C 62.3 0.20 1 249 36 ILE CB C 33.9 0.20 1 250 37 TYR N N 120.6 0.25 1 251 37 TYR HN H 8.60 0.01 1 252 37 TYR CA C 61.1 0.20 1 253 37 TYR HA H 4.28 0.01 1 254 37 TYR CB C 38.1 0.20 1 255 37 TYR HB2 H 2.95 0.01 2 256 37 TYR HB3 H 2.29 0.01 2 257 37 TYR HD1 H 6.87 0.01 3 258 37 TYR HE1 H 6.77 0.01 3 259 38 GLY N N 110.3 0.25 1 260 38 GLY HN H 9.37 0.01 1 261 38 GLY CA C 44.8 0.20 1 262 38 GLY HA1 H 4.71 0.01 2 263 38 GLY HA2 H 2.56 0.01 2 264 39 LEU N N 119.7 0.25 1 265 39 LEU HN H 8.18 0.01 1 266 39 LEU CA C 52.5 0.20 1 267 39 LEU HA H 5.04 0.01 1 268 39 LEU CB C 44.5 0.20 1 269 39 LEU HB2 H 1.46 0.01 2 270 39 LEU HB3 H 1.13 0.01 2 271 39 LEU HD11 H 0.88 0.01 2 272 39 LEU HD21 H 0.88 0.01 2 273 40 GLY N N 112.6 0.25 1 274 40 GLY HN H 10.17 0.01 1 275 40 GLY CA C 46.6 0.20 1 276 40 GLY HA1 H 4.84 0.01 2 277 40 GLY HA2 H 3.40 0.01 2 278 41 VAL N N 115.6 0.25 1 279 41 VAL HN H 7.99 0.01 1 280 41 VAL HA H 4.57 0.01 1 281 41 VAL HB H 1.74 0.01 1 282 41 VAL HG11 H 0.74 0.01 2 283 41 VAL HG21 H 0.65 0.01 2 284 42 ASN N N 117.0 0.25 1 285 42 ASN HN H 8.55 0.01 1 286 42 ASN CA C 52.4 0.20 1 287 42 ASN HA H 4.56 0.01 1 288 42 ASN CB C 36.8 0.20 1 289 42 ASN HB2 H 2.68 0.01 2 290 42 ASN HB3 H 2.32 0.01 2 291 43 ALA N N 129.4 0.25 1 292 43 ALA HN H 8.71 0.01 1 293 43 ALA CA C 52.8 0.20 1 294 43 ALA HA H 3.73 0.01 1 295 43 ALA CB C 19.3 0.20 1 296 43 ALA HB H 1.14 0.01 1 297 44 LEU N N 106.9 0.25 1 298 44 LEU HN H 7.74 0.01 1 299 44 LEU CA C 52.8 0.20 1 300 44 LEU HA H 4.24 0.01 1 301 44 LEU CB C 39.9 0.20 1 302 44 LEU HB2 H 1.79 0.01 2 303 44 LEU HB3 H 1.74 0.01 2 304 44 LEU HG H 1.17 0.01 1 305 44 LEU HD11 H 0.96 0.01 2 306 44 LEU HD21 H 0.88 0.01 2 307 45 ASP N N 120.9 0.25 1 308 45 ASP HN H 7.55 0.01 1 309 45 ASP CA C 51.5 0.20 1 310 45 ASP HA H 3.34 0.01 1 311 45 ASP CB C 40.5 0.20 1 312 45 ASP HB2 H 2.23 0.01 2 313 45 ASP HB3 H 2.23 0.01 2 314 46 GLU N N 122.7 0.25 1 315 46 GLU HN H 8.56 0.01 1 316 46 GLU CA C 60.1 0.20 1 317 46 GLU HA H 3.68 0.01 1 318 46 GLU CB C 29.5 0.20 1 319 46 GLU HB2 H 2.09 0.01 2 320 46 GLU HB3 H 2.09 0.01 2 321 46 GLU HG2 H 2.34 0.01 2 322 46 GLU HG3 H 2.34 0.01 2 323 47 ASP N N 116.9 0.25 1 324 47 ASP HN H 7.94 0.01 1 325 47 ASP CA C 57.0 0.20 1 326 47 ASP HA H 4.43 0.01 1 327 47 ASP CB C 40.4 0.20 1 328 47 ASP HB2 H 2.84 0.01 2 329 47 ASP HB3 H 2.69 0.01 2 330 48 ALA N N 125.2 0.25 1 331 48 ALA HN H 7.87 0.01 1 332 48 ALA CA C 54.4 0.20 1 333 48 ALA HA H 4.11 0.01 1 334 48 ALA CB C 17.6 0.20 1 335 48 ALA HB H 1.51 0.01 1 336 49 VAL N N 117.6 0.25 1 337 49 VAL HN H 8.31 0.01 1 338 49 VAL CA C 66.3 0.20 1 339 49 VAL HA H 3.57 0.01 1 340 49 VAL CB C 37.9 0.20 1 341 49 VAL HB H 1.52 0.01 1 342 49 VAL HG11 H 0.81 0.01 2 343 49 VAL HG21 H 0.81 0.01 2 344 50 ARG N N 115.6 0.25 1 345 50 ARG HN H 8.42 0.01 1 346 50 ARG CA C 60.6 0.20 1 347 50 ARG HA H 4.04 0.01 1 348 50 ARG CB C 30.8 0.20 1 349 50 ARG HB2 H 1.82 0.01 2 350 50 ARG HB3 H 1.82 0.01 2 351 51 ARG N N 119.9 0.25 1 352 51 ARG HN H 7.90 0.01 1 353 51 ARG CA C 60.0 0.20 1 354 51 ARG HA H 4.01 0.01 1 355 51 ARG CB C 29.4 0.20 1 356 51 ARG HB2 H 2.01 0.01 2 357 51 ARG HB3 H 2.01 0.01 2 358 51 ARG HG2 H 1.52 0.01 2 359 51 ARG HG3 H 1.47 0.01 2 360 52 LEU N N 121.5 0.25 1 361 52 LEU HN H 8.28 0.01 1 362 52 LEU CA C 58.6 0.20 1 363 52 LEU HA H 3.88 0.01 1 364 52 LEU CB C 40.6 0.20 1 365 52 LEU HB2 H 2.53 0.01 2 366 52 LEU HB3 H 1.69 0.01 2 367 52 LEU HG H 1.01 0.01 1 368 52 LEU HD11 H 0.89 0.01 2 369 52 LEU HD21 H 0.79 0.01 2 370 53 PHE N N 117.4 0.25 1 371 53 PHE HN H 8.47 0.01 1 372 53 PHE CA C 61.5 0.20 1 373 53 PHE HA H 3.91 0.01 1 374 53 PHE CB C 37.4 0.20 1 375 53 PHE HB2 H 3.34 0.01 2 376 53 PHE HB3 H 3.15 0.01 2 377 53 PHE HD1 H 7.30 0.01 3 378 53 PHE HE1 H 7.41 0.01 3 379 54 ARG N N 118.3 0.25 1 380 54 ARG HN H 7.83 0.01 1 381 54 ARG CA C 59.1 0.20 1 382 54 ARG HA H 4.23 0.01 1 383 54 ARG CB C 29.4 0.20 1 384 54 ARG HB2 H 2.17 0.01 2 385 54 ARG HB3 H 2.08 0.01 2 386 54 ARG HG2 H 1.88 0.01 2 387 54 ARG HG3 H 1.69 0.01 2 388 55 VAL N N 120.2 0.25 1 389 55 VAL HN H 8.54 0.01 1 390 55 VAL CA C 64.9 0.20 1 391 55 VAL HA H 3.80 0.01 1 392 55 VAL CB C 31.5 0.20 1 393 55 VAL HB H 2.18 0.01 1 394 55 VAL HG11 H 1.03 0.01 2 395 55 VAL HG21 H 0.88 0.01 2 396 56 LYS N N 114.4 0.25 1 397 56 LYS HN H 7.84 0.01 1 398 56 LYS CA C 57.5 0.20 1 399 56 LYS HA H 3.79 0.01 1 400 56 LYS CB C 32.5 0.20 1 401 56 LYS HB2 H 1.86 0.01 2 402 56 LYS HB3 H 1.67 0.01 2 403 56 LYS HG2 H 1.55 0.01 2 404 56 LYS HG3 H 1.55 0.01 2 405 56 LYS HD2 H 1.33 0.01 2 406 56 LYS HD3 H 1.33 0.01 2 407 57 GLY N N 108.7 0.25 1 408 57 GLY HN H 7.93 0.01 1 409 57 GLY HA1 H 4.23 0.01 2 410 57 GLY HA2 H 4.08 0.01 2 411 63 PRO CA C 62.6 0.20 1 412 63 PRO HA H 4.23 0.01 1 413 63 PRO CB C 33.7 0.20 1 414 63 PRO HB2 H 2.37 0.01 2 415 63 PRO HB3 H 2.03 0.01 2 416 63 PRO HG2 H 1.95 0.01 2 417 63 PRO HG3 H 1.95 0.01 2 418 64 VAL N N 115.8 0.25 1 419 64 VAL HN H 8.76 0.01 1 420 64 VAL CA C 59.1 0.20 1 421 64 VAL HA H 4.72 0.01 1 422 64 VAL CB C 34.8 0.20 1 423 64 VAL HB H 2.20 0.01 1 424 64 VAL HG11 H 1.13 0.01 2 425 64 VAL HG21 H 0.96 0.01 2 426 65 SER N N 119.0 0.25 1 427 65 SER HN H 8.21 0.01 1 428 65 SER CA C 57.2 0.20 1 429 65 SER HA H 5.03 0.01 1 430 65 SER CB C 64.1 0.20 1 431 65 SER HB2 H 3.74 0.01 2 432 65 SER HB3 H 3.67 0.01 2 433 66 ILE N N 112.8 0.25 1 434 66 ILE HN H 8.72 0.01 1 435 66 ILE CA C 58.7 0.20 1 436 66 ILE HA H 5.08 0.01 1 437 66 ILE HB H 1.44 0.01 1 438 66 ILE HG21 H 0.76 0.01 1 439 66 ILE HD11 H 0.49 0.01 1 440 67 CYS N N 120.9 0.25 1 441 67 CYS HN H 9.68 0.01 1 442 67 CYS CA C 56.5 0.20 1 443 67 CYS HA H 5.44 0.01 1 444 67 CYS CB C 28.0 0.20 1 445 67 CYS HB2 H 2.90 0.01 2 446 67 CYS HB3 H 2.66 0.01 2 447 68 VAL N N 116.0 0.25 1 448 68 VAL HN H 8.20 0.01 1 449 68 VAL CA C 58.8 0.20 1 450 68 VAL HA H 4.84 0.01 1 451 68 VAL CB C 33.9 0.20 1 452 68 VAL HB H 2.23 0.01 1 453 68 VAL HG11 H 0.91 0.01 2 454 68 VAL HG21 H 0.79 0.01 2 455 69 SER N N 113.3 0.25 1 456 69 SER HN H 8.50 0.01 1 457 69 SER CA C 60.9 0.20 1 458 69 SER HA H 4.01 0.01 1 459 69 SER CB C 63.8 0.20 1 460 69 SER HB2 H 3.90 0.01 2 461 69 SER HB3 H 3.81 0.01 2 462 70 CYS N N 109.4 0.25 1 463 70 CYS HN H 7.25 0.01 1 464 70 CYS HA H 4.73 0.01 1 465 70 CYS HB2 H 3.43 0.01 2 466 70 CYS HB3 H 3.11 0.01 2 467 71 VAL N N 121.8 0.25 1 468 71 VAL HN H 9.00 0.01 1 469 71 VAL CA C 60.6 0.20 1 470 71 VAL HA H 3.56 0.01 1 471 71 VAL CB C 30.2 0.20 1 472 71 VAL HB H 2.03 0.01 1 473 71 VAL HG11 H 0.96 0.01 2 474 71 VAL HG21 H 0.89 0.01 2 475 72 ASP N N 115.6 0.25 1 476 72 ASP HN H 8.25 0.01 1 477 72 ASP CA C 56.0 0.20 1 478 72 ASP HA H 4.31 0.01 1 479 72 ASP CB C 39.9 0.20 1 480 72 ASP HB2 H 2.65 0.01 2 481 72 ASP HB3 H 2.65 0.01 2 482 73 GLU N N 115.3 0.25 1 483 73 GLU HN H 7.39 0.01 1 484 73 GLU CA C 56.4 0.20 1 485 73 GLU HA H 4.31 0.01 1 486 73 GLU CB C 30.6 0.20 1 487 73 GLU HB2 H 2.25 0.01 2 488 73 GLU HB3 H 2.15 0.01 2 489 73 GLU HG2 H 2.66 0.01 2 490 73 GLU HG3 H 2.40 0.01 2 491 74 ILE N N 119.9 0.25 1 492 74 ILE HN H 7.90 0.01 1 493 74 ILE HA H 3.67 0.01 1 494 74 ILE HB H 2.03 0.01 1 495 74 ILE HG21 H 0.94 0.01 1 496 74 ILE HD11 H 0.78 0.01 1 497 76 ARG CA C 57.5 0.20 1 498 76 ARG CB C 29.1 0.20 1 499 77 PHE N N 114.2 0.25 1 500 77 PHE HN H 7.38 0.01 1 501 77 PHE CA C 57.5 0.20 1 502 77 PHE HA H 4.94 0.01 1 503 77 PHE CB C 41.4 0.20 1 504 77 PHE HB2 H 3.32 0.01 2 505 77 PHE HB3 H 2.31 0.01 2 506 77 PHE HD1 H 7.16 0.01 3 507 77 PHE HE1 H 6.74 0.01 3 508 78 SER N N 108.2 0.25 1 509 78 SER HN H 7.40 0.01 1 510 78 SER CA C 57.4 0.20 1 511 78 SER HA H 4.97 0.01 1 512 78 SER CB C 66.2 0.20 1 513 78 SER HB2 H 3.62 0.01 2 514 78 SER HB3 H 3.59 0.01 2 515 79 ARG N N 114.4 0.25 1 516 79 ARG HN H 8.29 0.01 1 517 79 ARG HA H 4.99 0.01 1 518 79 ARG HB2 H 1.55 0.01 2 519 79 ARG HB3 H 1.55 0.01 2 520 79 ARG HG2 H 1.99 0.01 2 521 79 ARG HG3 H 1.79 0.01 2 522 80 PRO CA C 61.7 0.20 1 523 80 PRO HA H 4.39 0.01 1 524 80 PRO CB C 31.8 0.20 1 525 80 PRO HB2 H 1.60 0.01 2 526 80 PRO HB3 H 1.60 0.01 2 527 80 PRO HG2 H 1.96 0.01 2 528 80 PRO HG3 H 1.96 0.01 2 529 81 SER N N 117.9 0.25 1 530 81 SER HN H 8.40 0.01 1 531 81 SER CA C 56.5 0.20 1 532 81 SER HA H 4.64 0.01 1 533 81 SER CB C 64.7 0.20 1 534 81 SER HB2 H 4.14 0.01 2 535 81 SER HB3 H 4.14 0.01 2 536 82 GLY N N 108.7 0.25 1 537 82 GLY HN H 8.89 0.01 1 538 82 GLY HA1 H 4.01 0.01 2 539 82 GLY HA2 H 3.84 0.01 2 540 83 ASP N N 120.2 0.25 1 541 83 ASP HN H 8.17 0.01 1 542 83 ASP CA C 56.2 0.20 1 543 83 ASP HA H 4.45 0.01 1 544 83 ASP CB C 40.0 0.20 1 545 83 ASP HB2 H 2.65 0.01 2 546 83 ASP HB3 H 2.46 0.01 2 547 84 ALA N N 122.9 0.25 1 548 84 ALA HN H 8.05 0.01 1 549 84 ALA CA C 54.8 0.20 1 550 84 ALA HA H 4.12 0.01 1 551 84 ALA CB C 18.4 0.20 1 552 84 ALA HB H 1.61 0.01 1 553 85 MET N N 116.7 0.25 1 554 85 MET HN H 8.19 0.01 1 555 85 MET CA C 57.1 0.20 1 556 85 MET HA H 4.30 0.01 1 557 85 MET CB C 30.5 0.20 1 558 85 MET HB2 H 2.19 0.01 2 559 85 MET HB3 H 2.08 0.01 2 560 85 MET HG2 H 2.54 0.01 2 561 85 MET HG3 H 2.54 0.01 2 562 86 GLU N N 118.1 0.25 1 563 86 GLU HN H 7.74 0.01 1 564 86 GLU CA C 59.1 0.20 1 565 86 GLU HA H 4.01 0.01 1 566 86 GLU CB C 28.8 0.20 1 567 86 GLU HB2 H 2.11 0.01 2 568 86 GLU HB3 H 2.11 0.01 2 569 86 GLU HG2 H 2.44 0.01 2 570 86 GLU HG3 H 2.20 0.01 2 571 87 LEU N N 118.1 0.25 1 572 87 LEU HN H 7.43 0.01 1 573 87 LEU CA C 57.6 0.20 1 574 87 LEU HA H 4.10 0.01 1 575 87 LEU CB C 41.3 0.20 1 576 87 LEU HB2 H 1.76 0.01 2 577 87 LEU HB3 H 1.76 0.01 2 578 87 LEU HG H 1.51 0.01 1 579 87 LEU HD11 H 0.98 0.01 2 580 87 LEU HD21 H 0.90 0.01 2 581 88 MET N N 117.4 0.25 1 582 88 MET HN H 8.61 0.01 1 583 88 MET CA C 60.7 0.20 1 584 88 MET HA H 3.67 0.01 1 585 88 MET CB C 33.4 0.20 1 586 88 MET HB2 H 1.97 0.01 2 587 88 MET HB3 H 1.76 0.01 2 588 88 MET HG2 H 2.41 0.01 2 589 88 MET HG3 H 2.41 0.01 2 590 89 GLU N N 114.0 0.25 1 591 89 GLU HN H 7.94 0.01 1 592 89 GLU CA C 58.2 0.20 1 593 89 GLU HA H 4.09 0.01 1 594 89 GLU CB C 28.8 0.20 1 595 89 GLU HB2 H 2.12 0.01 2 596 89 GLU HB3 H 2.12 0.01 2 597 89 GLU HG2 H 2.52 0.01 2 598 89 GLU HG3 H 2.32 0.01 2 599 90 ARG N N 114.4 0.25 1 600 90 ARG HN H 7.40 0.01 1 601 90 ARG CA C 57.4 0.20 1 602 90 ARG HA H 4.40 0.01 1 603 90 ARG CB C 31.0 0.20 1 604 90 ARG HB2 H 2.04 0.01 2 605 90 ARG HB3 H 2.04 0.01 2 606 90 ARG HG2 H 1.69 0.01 2 607 90 ARG HG3 H 1.69 0.01 2 608 91 ILE N N 108.7 0.25 1 609 91 ILE HN H 7.37 0.01 1 610 91 ILE CA C 61.8 0.20 1 611 91 ILE HA H 4.49 0.01 1 612 91 ILE CB C 38.3 0.20 1 613 91 ILE HB H 1.69 0.01 1 614 91 ILE HG21 H 0.57 0.01 1 615 91 ILE HG12 H 1.05 0.01 2 616 91 ILE HG13 H 0.92 0.01 2 617 91 ILE HD11 H -0.10 0.01 1 618 92 LEU N N 119.2 0.25 1 619 92 LEU HN H 7.86 0.01 1 620 92 LEU HA H 4.74 0.01 1 621 92 LEU HB2 H 1.97 0.01 2 622 92 LEU HB3 H 1.97 0.01 2 623 92 LEU HD11 H 0.83 0.01 2 624 92 LEU HD21 H 0.83 0.01 2 625 93 PRO CA C 61.7 0.20 1 626 93 PRO HA H 4.45 0.01 1 627 93 PRO CB C 34.8 0.20 1 628 93 PRO HB2 H 2.28 0.01 2 629 93 PRO HB3 H 1.76 0.01 2 630 93 PRO HG2 H 2.05 0.01 2 631 93 PRO HG3 H 1.96 0.01 2 632 94 GLY N N 107.8 0.25 1 633 94 GLY HN H 8.66 0.01 1 634 94 GLY HA1 H 4.96 0.01 2 635 94 GLY HA2 H 4.74 0.01 2 636 95 PRO CA C 62.7 0.20 1 637 95 PRO HA H 4.67 0.01 1 638 95 PRO HB2 H 2.08 0.01 2 639 95 PRO HB3 H 2.00 0.01 2 640 95 PRO HG2 H 1.72 0.01 2 641 95 PRO HG3 H 1.60 0.01 2 642 96 TYR N N 117.6 0.25 1 643 96 TYR HN H 8.19 0.01 1 644 96 TYR CA C 56.3 0.20 1 645 96 TYR HA H 5.71 0.01 1 646 96 TYR CB C 42.6 0.20 1 647 96 TYR HB2 H 2.84 0.01 2 648 96 TYR HB3 H 2.40 0.01 2 649 96 TYR HD1 H 6.75 0.01 3 650 97 THR N N 122.5 0.25 1 651 97 THR HN H 9.54 0.01 1 652 97 THR CA C 62.6 0.20 1 653 97 THR HA H 4.74 0.01 1 654 97 THR CB C 70.0 0.20 1 655 97 THR HB H 3.96 0.01 1 656 97 THR HG21 H 0.84 0.01 1 657 98 VAL N N 121.8 0.25 1 658 98 VAL HN H 9.58 0.01 1 659 98 VAL CA C 58.3 0.20 1 660 98 VAL HA H 5.30 0.01 1 661 98 VAL CB C 32.6 0.20 1 662 98 VAL HB H 2.03 0.01 1 663 98 VAL HG11 H 1.06 0.01 2 664 98 VAL HG21 H 1.06 0.01 2 665 99 VAL N N 125.2 0.25 1 666 99 VAL HN H 8.94 0.01 1 667 99 VAL CA C 61.7 0.20 1 668 99 VAL HA H 4.90 0.01 1 669 99 VAL CB C 31.6 0.20 1 670 99 VAL HB H 2.03 0.01 1 671 99 VAL HG11 H 0.87 0.01 2 672 99 VAL HG21 H 0.83 0.01 2 673 100 LEU N N 125.4 0.25 1 674 100 LEU HN H 8.54 0.01 1 675 100 LEU CA C 51.9 0.20 1 676 100 LEU HA H 4.62 0.01 1 677 100 LEU CB C 49.1 0.20 1 678 100 LEU HB2 H 1.54 0.01 2 679 100 LEU HB3 H 1.37 0.01 2 680 100 LEU HG H 1.69 0.01 1 681 100 LEU HD11 H 0.88 0.01 2 682 100 LEU HD21 H 0.81 0.01 2 683 101 GLU N N 119.5 0.25 1 684 101 GLU HN H 8.43 0.01 1 685 101 GLU CA C 55.4 0.20 1 686 101 GLU HA H 4.76 0.01 1 687 101 GLU CB C 29.9 0.20 1 688 101 GLU HB2 H 1.99 0.01 2 689 101 GLU HB3 H 1.99 0.01 2 690 101 GLU HG2 H 2.44 0.01 2 691 101 GLU HG3 H 2.44 0.01 2 692 102 ARG N N 122.2 0.25 1 693 102 ARG HN H 8.81 0.01 1 694 102 ARG CA C 55.4 0.20 1 695 102 ARG HA H 4.96 0.01 1 696 102 ARG CB C 30.1 0.20 1 697 102 ARG HB2 H 1.59 0.01 2 698 102 ARG HB3 H 1.59 0.01 2 699 102 ARG HG2 H 1.67 0.01 2 700 102 ARG HG3 H 1.67 0.01 2 701 103 ASN N N 117.6 0.25 1 702 103 ASN HN H 6.84 0.01 1 703 103 ASN CA C 50.2 0.20 1 704 103 ASN HA H 4.89 0.01 1 705 103 ASN CB C 38.9 0.20 1 706 103 ASN HB2 H 3.31 0.01 2 707 103 ASN HB3 H 2.31 0.01 2 708 104 GLU N N 113.7 0.25 1 709 104 GLU HN H 8.91 0.01 1 710 104 GLU CA C 58.0 0.20 1 711 104 GLU HA H 4.14 0.01 1 712 104 GLU CB C 28.2 0.20 1 713 104 GLU HB2 H 2.11 0.01 2 714 104 GLU HB3 H 2.03 0.01 2 715 105 LEU N N 119.0 0.25 1 716 105 LEU HN H 7.89 0.01 1 717 105 LEU CA C 55.9 0.20 1 718 105 LEU HA H 4.26 0.01 1 719 105 LEU CB C 41.9 0.20 1 720 105 LEU HB2 H 2.16 0.01 2 721 105 LEU HB3 H 1.78 0.01 2 722 105 LEU HD11 H 1.02 0.01 2 723 105 LEU HD21 H 0.96 0.01 2 724 106 ILE N N 116.5 0.25 1 725 106 ILE HN H 7.06 0.01 1 726 106 ILE HA H 4.57 0.01 1 727 106 ILE HB H 2.02 0.01 1 728 106 ILE HG21 H 0.95 0.01 1 729 106 ILE HG12 H 1.61 0.01 2 730 106 ILE HG13 H 1.53 0.01 2 731 106 ILE HD11 H 0.74 0.01 1 732 107 PRO CA C 62.1 0.20 1 733 107 PRO HA H 4.40 0.01 1 734 107 PRO CB C 32.7 0.20 1 735 107 PRO HB2 H 2.07 0.01 2 736 107 PRO HB3 H 2.07 0.01 2 737 108 ASP N N 120.9 0.25 1 738 108 ASP HN H 8.73 0.01 1 739 108 ASP CA C 56.5 0.20 1 740 108 ASP HA H 4.65 0.01 1 741 108 ASP CB C 39.8 0.20 1 742 108 ASP HB2 H 2.75 0.01 2 743 108 ASP HB3 H 2.53 0.01 2 744 109 VAL N N 110.5 0.25 1 745 109 VAL HN H 7.84 0.01 1 746 109 VAL CA C 63.1 0.20 1 747 109 VAL HA H 4.04 0.01 1 748 109 VAL CB C 30.5 0.20 1 749 109 VAL HB H 2.13 0.01 1 750 109 VAL HG11 H 1.00 0.01 2 751 109 VAL HG21 H 0.95 0.01 2 752 110 ILE N N 117.4 0.25 1 753 110 ILE HN H 7.33 0.01 1 754 110 ILE CA C 60.1 0.20 1 755 110 ILE HA H 4.23 0.01 1 756 110 ILE CB C 35.3 0.20 1 757 110 ILE HB H 2.46 0.01 1 758 110 ILE HG21 H 1.03 0.01 1 759 110 ILE HG12 H 2.07 0.01 2 760 110 ILE HG13 H 1.67 0.01 2 761 110 ILE HD11 H 0.81 0.01 1 762 111 THR N N 103.6 0.25 1 763 111 THR HN H 7.02 0.01 1 764 111 THR HA H 4.69 0.01 1 765 111 THR HB H 4.40 0.01 1 766 111 THR HG21 H 1.05 0.01 1 767 112 GLY N N 113.7 0.25 1 768 112 GLY HN H 8.23 0.01 1 769 112 GLY HA1 H 4.03 0.01 2 770 112 GLY HA2 H 3.88 0.01 2 771 113 GLY N N 105.3 0.25 1 772 113 GLY HN H 8.29 0.01 1 773 113 GLY HA1 H 4.40 0.01 2 774 113 GLY HA2 H 4.33 0.01 2 775 114 SER N N 114.2 0.25 1 776 114 SER HN H 7.37 0.01 1 777 114 SER HA H 3.62 0.01 1 778 114 SER HB2 H 3.91 0.01 2 779 114 SER HB3 H 3.74 0.01 2 780 115 SER N N 117.9 0.25 1 781 115 SER HN H 8.43 0.01 1 782 115 SER CA C 58.6 0.20 1 783 115 SER CB C 63.2 0.20 1 784 116 ARG N N 121.6 0.25 1 785 116 ARG HN H 7.95 0.01 1 786 116 ARG CA C 54.9 0.20 1 787 116 ARG HA H 4.96 0.01 1 788 116 ARG CB C 32.2 0.20 1 789 116 ARG HB2 H 1.58 0.01 2 790 116 ARG HB3 H 1.58 0.01 2 791 116 ARG HG2 H 1.45 0.01 2 792 116 ARG HG3 H 1.45 0.01 2 793 117 VAL N N 119.7 0.25 1 794 117 VAL HN H 9.42 0.01 1 795 117 VAL CA C 58.0 0.20 1 796 117 VAL HA H 4.69 0.01 1 797 117 VAL CB C 36.3 0.20 1 798 117 VAL HB H 1.74 0.01 1 799 117 VAL HG11 H 1.03 0.01 2 800 117 VAL HG21 H 0.87 0.01 2 801 118 GLY N N 114.4 0.25 1 802 118 GLY HN H 8.67 0.01 1 803 118 GLY CA C 44.1 0.20 1 804 118 GLY HA1 H 4.77 0.01 2 805 118 GLY HA2 H 3.25 0.01 2 806 119 ILE N N 125.4 0.25 1 807 119 ILE HN H 9.42 0.01 1 808 119 ILE CA C 59.9 0.20 1 809 119 ILE HA H 4.91 0.01 1 810 119 ILE CB C 40.5 0.20 1 811 119 ILE HB H 1.67 0.01 1 812 119 ILE HG21 H 1.06 0.01 1 813 119 ILE HG12 H 0.92 0.01 2 814 119 ILE HG13 H 0.92 0.01 2 815 119 ILE HD11 H 0.83 0.01 1 816 120 ARG N N 123.4 0.25 1 817 120 ARG HN H 9.31 0.01 1 818 120 ARG CA C 54.8 0.20 1 819 120 ARG HA H 4.84 0.01 1 820 120 ARG HB2 H 1.76 0.01 2 821 120 ARG HB3 H 1.67 0.01 2 822 120 ARG HG2 H 1.96 0.01 2 823 120 ARG HG3 H 1.96 0.01 2 824 121 VAL N N 120.2 0.25 1 825 121 VAL HN H 9.30 0.01 1 826 121 VAL HA H 4.47 0.01 1 827 121 VAL HB H 2.16 0.01 1 828 121 VAL HG11 H 0.81 0.01 2 829 121 VAL HG21 H 0.74 0.01 2 830 122 PRO CA C 61.7 0.20 1 831 122 PRO HA H 4.45 0.01 1 832 122 PRO CB C 32.2 0.20 1 833 122 PRO HB2 H 2.30 0.01 2 834 122 PRO HB3 H 2.30 0.01 2 835 122 PRO HG2 H 1.76 0.01 2 836 122 PRO HG3 H 1.67 0.01 2 837 123 ASP N N 122.2 0.25 1 838 123 ASP HN H 9.32 0.01 1 839 123 ASP CA C 51.7 0.20 1 840 123 ASP HA H 4.71 0.01 1 841 123 ASP CB C 38.0 0.20 1 842 123 ASP HB2 H 2.86 0.01 2 843 123 ASP HB3 H 2.06 0.01 2 844 124 ASP N N 120.2 0.25 1 845 124 ASP HN H 7.51 0.01 1 846 124 ASP CA C 53.9 0.20 1 847 124 ASP HA H 4.71 0.01 1 848 124 ASP CB C 45.2 0.20 1 849 124 ASP HB2 H 2.54 0.01 2 850 124 ASP HB3 H 2.29 0.01 2 851 125 GLU N N 125.4 0.25 1 852 125 GLU HN H 8.54 0.01 1 853 125 GLU CA C 59.1 0.20 1 854 125 GLU HA H 4.71 0.01 1 855 125 GLU CB C 30.0 0.20 1 856 125 GLU HB2 H 2.11 0.01 2 857 125 GLU HB3 H 1.96 0.01 2 858 125 GLU HG2 H 2.35 0.01 2 859 125 GLU HG3 H 2.28 0.01 2 860 126 ILE N N 118.8 0.25 1 861 126 ILE HN H 8.49 0.01 1 862 126 ILE CA C 66.3 0.20 1 863 126 ILE HA H 3.48 0.01 1 864 126 ILE CB C 36.2 0.20 1 865 126 ILE HB H 1.86 0.01 1 866 126 ILE HG21 H 0.85 0.01 1 867 126 ILE HG12 H 1.68 0.01 2 868 126 ILE HD11 H 0.94 0.01 1 869 127 CYS N N 116.5 0.25 1 870 127 CYS HN H 8.84 0.01 1 871 127 CYS CA C 63.7 0.20 1 872 127 CYS HA H 3.91 0.01 1 873 127 CYS CB C 27.5 0.20 1 874 127 CYS HB2 H 2.96 0.01 2 875 127 CYS HB3 H 2.85 0.01 2 876 128 ARG N N 114.2 0.25 1 877 128 ARG HN H 7.53 0.01 1 878 128 ARG CA C 59.1 0.20 1 879 128 ARG HA H 4.08 0.01 1 880 128 ARG CB C 30.0 0.20 1 881 128 ARG HB2 H 2.05 0.01 2 882 128 ARG HB3 H 1.90 0.01 2 883 129 ARG N N 115.1 0.25 1 884 129 ARG HN H 7.79 0.01 1 885 129 ARG CA C 57.4 0.20 1 886 129 ARG HA H 3.92 0.01 1 887 129 ARG CB C 30.5 0.20 1 888 129 ARG HB2 H 1.84 0.01 2 889 129 ARG HB3 H 1.74 0.01 2 890 130 ILE N N 116.9 0.25 1 891 130 ILE HN H 8.54 0.01 1 892 130 ILE CA C 63.4 0.20 1 893 130 ILE HA H 4.06 0.01 1 894 130 ILE CB C 36.7 0.20 1 895 130 ILE HB H 1.75 0.01 1 896 130 ILE HG21 H 0.65 0.01 1 897 130 ILE HD11 H 0.11 0.01 1 898 131 ALA N N 120.6 0.25 1 899 131 ALA HN H 6.52 0.01 1 900 131 ALA CA C 49.8 0.20 1 901 131 ALA HA H 4.84 0.01 1 902 131 ALA CB C 17.8 0.20 1 903 131 ALA HB H 1.15 0.01 1 904 132 ALA N N 116.7 0.25 1 905 132 ALA HN H 6.67 0.01 1 906 132 ALA CA C 54.9 0.20 1 907 132 ALA HA H 3.87 0.01 1 908 132 ALA CB C 19.6 0.20 1 909 132 ALA HB H 1.39 0.01 1 910 133 ARG N N 113.3 0.25 1 911 133 ARG HN H 8.35 0.01 1 912 133 ARG CA C 56.0 0.20 1 913 133 ARG HA H 4.42 0.01 1 914 133 ARG CB C 31.7 0.20 1 915 133 ARG HB2 H 1.82 0.01 2 916 133 ARG HB3 H 1.53 0.01 2 917 134 PHE N N 117.9 0.25 1 918 134 PHE HN H 7.09 0.01 1 919 134 PHE HA H 3.57 0.01 1 920 134 PHE HB2 H 3.42 0.01 2 921 134 PHE HB3 H 3.18 0.01 2 922 134 PHE HD1 H 7.18 0.01 3 923 135 PRO CA C 61.7 0.20 1 924 135 PRO HA H 3.98 0.01 1 925 135 PRO CB C 31.6 0.20 1 926 135 PRO HB2 H 1.78 0.01 2 927 135 PRO HB3 H 1.39 0.01 2 928 135 PRO HG2 H 1.15 0.01 2 929 135 PRO HG3 H 1.15 0.01 2 930 136 VAL N N 118.3 0.25 1 931 136 VAL HN H 8.00 0.01 1 932 136 VAL CA C 58.8 0.20 1 933 136 VAL HA H 5.33 0.01 1 934 136 VAL CB C 36.1 0.20 1 935 136 VAL HB H 1.61 0.01 1 936 136 VAL HG11 H 0.89 0.01 2 937 136 VAL HG21 H 0.89 0.01 2 938 137 THR N N 114.2 0.25 1 939 137 THR HN H 8.62 0.01 1 940 137 THR CA C 63.8 0.20 1 941 137 THR HA H 5.08 0.01 1 942 137 THR CB C 69.8 0.20 1 943 137 THR HB H 4.40 0.01 1 944 137 THR HG21 H 1.26 0.01 1 945 138 ALA N N 124.8 0.25 1 946 138 ALA HN H 8.87 0.01 1 947 138 ALA CA C 50.3 0.20 1 948 138 ALA HA H 4.57 0.01 1 949 138 ALA CB C 18.7 0.20 1 950 138 ALA HB H 1.18 0.01 1 951 139 THR N N 112.4 0.25 1 952 139 THR HN H 6.43 0.01 1 953 139 THR HA H 4.76 0.01 1 954 139 THR HB H 4.11 0.01 1 955 139 THR HG21 H 1.21 0.01 1 956 140 SER CA C 58.6 0.20 1 957 140 SER CB C 63.7 0.20 1 958 141 ALA N N 124.5 0.25 1 959 141 ALA HN H 8.32 0.01 1 960 141 ALA CA C 50.2 0.20 1 961 141 ALA HA H 3.90 0.01 1 962 141 ALA CB C 16.6 0.20 1 963 141 ALA HB H 0.98 0.01 1 964 142 ASN N N 118.3 0.25 1 965 142 ASN HN H 7.65 0.01 1 966 142 ASN CA C 52.2 0.20 1 967 142 ASN HA H 4.69 0.01 1 968 142 ASN CB C 39.9 0.20 1 969 142 ASN HB2 H 2.65 0.01 2 970 142 ASN HB3 H 2.54 0.01 2 971 143 ILE N N 118.8 0.25 1 972 143 ILE HN H 8.63 0.01 1 973 143 ILE CA C 60.0 0.20 1 974 143 ILE HA H 4.33 0.01 1 975 143 ILE CB C 38.0 0.20 1 976 143 ILE HB H 1.80 0.01 1 977 143 ILE HG21 H 0.98 0.01 1 978 143 ILE HG12 H 1.43 0.01 2 979 143 ILE HG13 H 1.25 0.01 2 980 143 ILE HD11 H 0.88 0.01 1 981 144 SER N N 119.3 0.25 1 982 144 SER HN H 8.63 0.01 1 983 144 SER HA H 4.18 0.01 1 984 144 SER HB2 H 3.86 0.01 2 985 144 SER HB3 H 3.69 0.01 2 986 150 PRO CA C 63.0 0.20 1 987 150 PRO HA H 4.07 0.01 1 988 150 PRO CB C 32.6 0.20 1 989 150 PRO HB2 H 2.12 0.01 2 990 150 PRO HB3 H 1.95 0.01 2 991 151 ARG N N 116.0 0.25 1 992 151 ARG HN H 7.89 0.01 1 993 151 ARG CA C 53.9 0.20 1 994 151 ARG HA H 5.04 0.01 1 995 151 ARG CB C 30.6 0.20 1 996 151 ARG HB2 H 1.67 0.01 2 997 151 ARG HB3 H 1.59 0.01 2 998 151 ARG HG2 H 1.81 0.01 2 999 151 ARG HG3 H 1.81 0.01 2 1000 152 LEU N N 128.0 0.25 1 1001 152 LEU HN H 8.76 0.01 1 1002 152 LEU CA C 57.0 0.20 1 1003 152 LEU HA H 3.72 0.01 1 1004 152 LEU CB C 40.7 0.20 1 1005 152 LEU HB2 H 1.52 0.01 2 1006 152 LEU HB3 H 1.30 0.01 2 1007 152 LEU HD11 H 0.45 0.01 2 1008 152 LEU HD21 H 0.19 0.01 2 1009 153 GLU N N 115.6 0.25 1 1010 153 GLU HN H 9.20 0.01 1 1011 153 GLU CA C 59.1 0.20 1 1012 153 GLU HA H 3.79 0.01 1 1013 153 GLU CB C 28.9 0.20 1 1014 153 GLU HB2 H 1.98 0.01 2 1015 153 GLU HB3 H 1.85 0.01 2 1016 153 GLU HG2 H 2.21 0.01 2 1017 153 GLU HG3 H 2.21 0.01 2 1018 154 GLU N N 115.3 0.25 1 1019 154 GLU HN H 6.96 0.01 1 1020 154 GLU CA C 58.0 0.20 1 1021 154 GLU HA H 3.93 0.01 1 1022 154 GLU CB C 29.1 0.20 1 1023 154 GLU HB2 H 2.23 0.01 2 1024 154 GLU HB3 H 2.14 0.01 2 1025 155 ILE N N 119.7 0.25 1 1026 155 ILE HN H 7.37 0.01 1 1027 155 ILE CA C 64.7 0.20 1 1028 155 ILE HA H 3.66 0.01 1 1029 155 ILE CB C 38.3 0.20 1 1030 155 ILE HB H 1.73 0.01 1 1031 155 ILE HG21 H 0.84 0.01 1 1032 155 ILE HG12 H 1.28 0.01 2 1033 155 ILE HD11 H 0.75 0.01 1 1034 156 VAL N N 112.1 0.25 1 1035 156 VAL HN H 7.96 0.01 1 1036 156 VAL CA C 64.7 0.20 1 1037 156 VAL HA H 3.44 0.01 1 1038 156 VAL CB C 30.9 0.20 1 1039 156 VAL HB H 1.98 0.01 1 1040 156 VAL HG11 H 0.82 0.01 2 1041 156 VAL HG21 H 0.82 0.01 2 1042 157 ARG N N 116.5 0.25 1 1043 157 ARG HN H 6.88 0.01 1 1044 157 ARG CA C 58.0 0.20 1 1045 157 ARG HA H 4.00 0.01 1 1046 157 ARG CB C 29.6 0.20 1 1047 157 ARG HB2 H 1.88 0.01 2 1048 157 ARG HB3 H 1.88 0.01 2 1049 157 ARG HG2 H 1.79 0.01 2 1050 157 ARG HG3 H 1.60 0.01 2 1051 158 ASP N N 115.8 0.25 1 1052 158 ASP HN H 7.14 0.01 1 1053 158 ASP CA C 55.1 0.20 1 1054 158 ASP HA H 4.66 0.01 1 1055 158 ASP CB C 41.1 0.20 1 1056 158 ASP HB2 H 2.66 0.01 2 1057 158 ASP HB3 H 2.66 0.01 2 1058 159 LEU N N 121.5 0.25 1 1059 159 LEU HN H 7.67 0.01 1 1060 159 LEU CA C 52.4 0.20 1 1061 159 LEU HA H 4.60 0.01 1 1062 159 LEU CB C 40.8 0.20 1 1063 159 LEU HB2 H 1.56 0.01 2 1064 159 LEU HB3 H 1.47 0.01 2 1065 159 LEU HD11 H 0.87 0.01 2 1066 159 LEU HD21 H 0.64 0.01 2 1067 160 ASP N N 115.8 0.25 1 1068 160 ASP HN H 7.35 0.01 1 1069 160 ASP CA C 54.8 0.20 1 1070 160 ASP HA H 4.59 0.01 1 1071 160 ASP CB C 40.4 0.20 1 1072 160 ASP HB2 H 2.79 0.01 2 1073 160 ASP HB3 H 2.69 0.01 2 1074 161 ALA N N 119.0 0.25 1 1075 161 ALA HN H 7.53 0.01 1 1076 161 ALA CA C 51.7 0.20 1 1077 161 ALA HA H 4.36 0.01 1 1078 161 ALA CB C 18.8 0.20 1 1079 161 ALA HB H 1.34 0.01 1 1080 162 VAL N N 111.4 0.25 1 1081 162 VAL HN H 7.11 0.01 1 1082 162 VAL HA H 3.98 0.01 1 1083 162 VAL HB H 2.13 0.01 1 1084 162 VAL HG11 H 0.88 0.01 2 1085 162 VAL HG21 H 0.82 0.01 2 1086 163 ASP N N 118.3 0.25 1 1087 163 ASP HN H 8.00 0.01 1 1088 163 ASP CA C 56.8 0.20 1 1089 163 ASP HA H 4.72 0.01 1 1090 163 ASP CB C 43.4 0.20 1 1091 163 ASP HB2 H 2.65 0.01 2 1092 163 ASP HB3 H 2.12 0.01 2 1093 164 LEU N N 119.5 0.25 1 1094 164 LEU HN H 7.62 0.01 1 1095 164 LEU CA C 54.0 0.20 1 1096 164 LEU HA H 5.29 0.01 1 1097 164 LEU CB C 45.8 0.20 1 1098 164 LEU HB2 H 1.64 0.01 2 1099 164 LEU HB3 H 1.54 0.01 2 1100 164 LEU HG H 1.04 0.01 1 1101 164 LEU HD11 H 0.87 0.01 2 1102 164 LEU HD21 H 0.82 0.01 2 1103 165 VAL N N 125.7 0.25 1 1104 165 VAL HN H 8.89 0.01 1 1105 165 VAL CA C 60.6 0.20 1 1106 165 VAL HA H 4.47 0.01 1 1107 165 VAL CB C 34.4 0.20 1 1108 165 VAL HB H 1.74 0.01 1 1109 165 VAL HG11 H 0.88 0.01 2 1110 165 VAL HG21 H 0.84 0.01 2 1111 166 LEU N N 128.4 0.25 1 1112 166 LEU HN H 8.63 0.01 1 1113 166 LEU CA C 52.8 0.20 1 1114 166 LEU HA H 4.89 0.01 1 1115 166 LEU CB C 41.3 0.20 1 1116 166 LEU HB2 H 1.66 0.01 2 1117 166 LEU HB3 H 1.30 0.01 2 1118 166 LEU HG H 1.49 0.01 1 1119 166 LEU HD11 H 0.83 0.01 2 1120 166 LEU HD21 H 0.69 0.01 2 1121 167 ASP N N 120.2 0.25 1 1122 167 ASP HN H 8.52 0.01 1 1123 167 ASP CA C 52.8 0.20 1 1124 167 ASP HA H 4.47 0.01 1 1125 167 ASP CB C 42.0 0.20 1 1126 167 ASP HB2 H 2.71 0.01 2 1127 167 ASP HB3 H 2.15 0.01 2 1128 168 ALA N N 130.0 0.25 1 1129 168 ALA HN H 8.21 0.01 1 1130 168 ALA CA C 49.7 0.20 1 1131 168 ALA HA H 5.30 0.01 1 1132 168 ALA CB C 19.3 0.20 1 1133 168 ALA HB H 1.26 0.01 1 1134 169 GLY N N 108.5 0.25 1 1135 169 GLY HN H 9.01 0.01 1 1136 169 GLY CA C 43.7 0.20 1 1137 169 GLY HA1 H 4.47 0.01 2 1138 169 GLY HA2 H 4.06 0.01 2 1139 170 ASP N N 119.9 0.25 1 1140 170 ASP HN H 8.47 0.01 1 1141 170 ASP CA C 54.5 0.20 1 1142 170 ASP HA H 5.04 0.01 1 1143 170 ASP CB C 40.5 0.20 1 1144 170 ASP HB2 H 2.75 0.01 2 1145 170 ASP HB3 H 2.54 0.01 2 1146 171 CYS N N 118.3 0.25 1 1147 171 CYS HN H 9.10 0.01 1 1148 171 CYS CA C 59.7 0.20 1 1149 171 CYS HA H 4.25 0.01 1 1150 171 CYS CB C 27.9 0.20 1 1151 171 CYS HB2 H 2.84 0.01 2 1152 172 LEU N N 123.6 0.25 1 1153 172 LEU HN H 8.68 0.01 1 1154 172 LEU CA C 55.2 0.20 1 1155 172 LEU HA H 4.26 0.01 1 1156 172 LEU CB C 41.9 0.20 1 1157 172 LEU HB2 H 1.66 0.01 2 1158 172 LEU HB3 H 1.66 0.01 2 1159 172 LEU HD11 H 0.94 0.01 2 1160 172 LEU HD21 H 0.88 0.01 2 1161 173 ASP N N 118.3 0.25 1 1162 173 ASP HN H 7.64 0.01 1 1163 173 ASP HA H 4.64 0.01 1 1164 173 ASP HB2 H 2.85 0.01 2 1165 173 ASP HB3 H 2.85 0.01 2 1166 178 THR N N 115.6 0.25 1 1167 178 THR HN H 8.03 0.01 1 1168 178 THR CA C 61.8 0.20 1 1169 178 THR HA H 4.18 0.01 1 1170 178 THR CB C 69.2 0.20 1 1171 178 THR HB H 3.95 0.01 1 1172 178 THR HG21 H 1.45 0.01 1 1173 179 VAL N N 129.3 0.25 1 1174 179 VAL HN H 9.04 0.01 1 1175 179 VAL CA C 61.0 0.20 1 1176 179 VAL HA H 5.16 0.01 1 1177 179 VAL CB C 31.9 0.20 1 1178 179 VAL HB H 1.93 0.01 1 1179 179 VAL HG11 H 0.91 0.01 2 1180 179 VAL HG21 H 0.84 0.01 2 1181 180 ILE N N 125.2 0.25 1 1182 180 ILE HN H 9.07 0.01 1 1183 180 ILE CA C 58.6 0.20 1 1184 180 ILE HA H 4.90 0.01 1 1185 180 ILE CB C 41.4 0.20 1 1186 180 ILE HB H 1.66 0.01 1 1187 180 ILE HG21 H 0.83 0.01 1 1188 180 ILE HG12 H 1.05 0.01 2 1189 180 ILE HG13 H 0.69 0.01 2 1190 180 ILE HD11 H 0.91 0.01 1 1191 181 ASP N N 125.7 0.25 1 1192 181 ASP HN H 9.51 0.01 1 1193 181 ASP CA C 53.2 0.20 1 1194 181 ASP HA H 4.89 0.01 1 1195 181 ASP CB C 41.4 0.20 1 1196 181 ASP HB2 H 3.08 0.01 2 1197 181 ASP HB3 H 2.36 0.01 2 1198 182 LEU N N 123.4 0.25 1 1199 182 LEU HN H 8.72 0.01 1 1200 182 LEU CA C 53.4 0.20 1 1201 182 LEU HA H 4.89 0.01 1 1202 182 LEU CB C 40.8 0.20 1 1203 182 LEU HB2 H 2.02 0.01 2 1204 182 LEU HB3 H 1.73 0.01 2 1205 182 LEU HD11 H 0.91 0.01 2 1206 182 LEU HD21 H 0.81 0.01 2 1207 183 THR N N 113.3 0.25 1 1208 183 THR HN H 9.43 0.01 1 1209 183 THR CA C 63.1 0.20 1 1210 183 THR HA H 4.39 0.01 1 1211 183 THR CB C 68.7 0.20 1 1212 183 THR HB H 4.64 0.01 1 1213 184 VAL N N 113.3 0.25 1 1214 184 VAL HN H 6.86 0.01 1 1215 184 VAL CA C 58.4 0.20 1 1216 184 VAL HA H 4.45 0.01 1 1217 184 VAL CB C 34.5 0.20 1 1218 184 VAL HB H 2.00 0.01 1 1219 184 VAL HG11 H 0.86 0.01 2 1220 184 VAL HG21 H 0.78 0.01 2 1221 185 ASN N N 117.9 0.25 1 1222 185 ASN HN H 7.94 0.01 1 1223 185 ASN HA H 4.74 0.01 1 1224 185 ASN HB2 H 2.78 0.01 2 1225 185 ASN HB3 H 2.54 0.01 2 1226 187 PRO CA C 62.6 0.20 1 1227 187 PRO HA H 4.64 0.01 1 1228 187 PRO CB C 32.2 0.20 1 1229 187 PRO HB2 H 2.20 0.01 2 1230 188 ARG N N 117.9 0.25 1 1231 188 ARG HN H 7.53 0.01 1 1232 188 ARG CA C 53.4 0.20 1 1233 188 ARG HA H 4.76 0.01 1 1234 188 ARG CB C 33.3 0.20 1 1235 188 ARG HB2 H 1.76 0.01 2 1236 188 ARG HB3 H 1.67 0.01 2 1237 188 ARG HG2 H 1.52 0.01 2 1238 188 ARG HG3 H 1.52 0.01 2 1239 189 VAL N N 125.9 0.25 1 1240 189 VAL HN H 9.04 0.01 1 1241 189 VAL CA C 62.7 0.20 1 1242 189 VAL HA H 4.15 0.01 1 1243 189 VAL CB C 31.1 0.20 1 1244 189 VAL HB H 2.12 0.01 1 1245 189 VAL HG11 H 0.95 0.01 2 1246 189 VAL HG21 H 0.84 0.01 2 1247 190 LEU N N 127.7 0.25 1 1248 190 LEU HN H 8.60 0.01 1 1249 190 LEU HA H 4.45 0.01 1 1250 190 LEU HB2 H 1.58 0.01 2 1251 190 LEU HB3 H 1.42 0.01 2 1252 190 LEU HD11 H 0.92 0.01 2 1253 190 LEU HD21 H 0.84 0.01 2 1254 191 ARG N N 117.4 0.25 1 1255 191 ARG HN H 7.52 0.01 1 1256 191 ARG CA C 56.0 0.20 1 1257 191 ARG HA H 4.56 0.01 1 1258 191 ARG CB C 33.3 0.20 1 1259 191 ARG HB2 H 1.74 0.01 2 1260 191 ARG HB3 H 1.68 0.01 2 1261 191 ARG HG2 H 1.52 0.01 2 1262 191 ARG HG3 H 1.52 0.01 2 1263 192 ARG N N 128.4 0.25 1 1264 192 ARG HN H 9.06 0.01 1 1265 192 ARG CA C 56.6 0.20 1 1266 192 ARG CB C 29.6 0.20 1 1267 192 ARG HB2 H 1.76 0.01 2 1268 192 ARG HB3 H 1.76 0.01 2 1269 193 GLY N N 115.6 0.25 1 1270 193 GLY HN H 8.02 0.01 1 1271 193 GLY CA C 44.1 0.20 1 1272 193 GLY HA1 H 4.28 0.01 2 1273 193 GLY HA2 H 3.40 0.01 2 1274 194 LYS N N 122.5 0.25 1 1275 194 LYS HN H 8.79 0.01 1 1276 194 LYS CA C 57.3 0.20 1 1277 194 LYS HA H 3.96 0.01 1 1278 194 LYS CB C 33.1 0.20 1 1279 194 LYS HB2 H 1.58 0.01 2 1280 194 LYS HB3 H 1.49 0.01 2 1281 194 LYS HG2 H 1.36 0.01 2 1282 194 LYS HG3 H 1.28 0.01 2 1283 195 GLY N N 104.6 0.25 1 1284 195 GLY HN H 7.40 0.01 1 1285 195 GLY HA1 H 4.08 0.01 2 1286 195 GLY HA2 H 2.56 0.01 2 1287 196 PRO CA C 62.3 0.20 1 1288 196 PRO CB C 32.6 0.20 1 1289 197 LEU N N 121.0 0.25 1 1290 197 LEU HN H 8.85 0.01 1 1291 197 LEU CA C 55.9 0.20 1 1292 197 LEU CB C 41.9 0.20 1 1293 198 ASP N N 116.7 0.25 1 1294 198 ASP HN H 7.08 0.01 1 1295 199 PRO CA C 64.7 0.20 1 1296 199 PRO CB C 31.3 0.20 1 1297 200 VAL N N 114.4 0.25 1 1298 200 VAL HN H 7.84 0.01 1 1299 200 VAL CA C 63.6 0.20 1 1300 200 VAL HA H 3.86 0.01 1 1301 200 VAL CB C 31.1 0.20 1 1302 200 VAL HB H 2.19 0.01 1 1303 200 VAL HG11 H 0.90 0.01 2 1304 200 VAL HG21 H 0.90 0.01 2 1305 201 LEU N N 118.6 0.25 1 1306 201 LEU HN H 7.70 0.01 1 1307 201 LEU CA C 55.3 0.20 1 1308 201 LEU HA H 4.23 0.01 1 1309 201 LEU CB C 42.0 0.20 1 1310 201 LEU HB2 H 1.72 0.01 2 1311 201 LEU HB3 H 1.54 0.01 2 1312 201 LEU HG H 1.35 0.01 1 1313 201 LEU HD11 H 0.91 0.01 2 1314 201 LEU HD21 H 0.84 0.01 2 1315 202 LEU N N 118.1 0.25 1 1316 202 LEU HN H 7.67 0.01 1 1317 202 LEU CA C 54.7 0.20 1 1318 202 LEU HA H 4.25 0.01 1 1319 202 LEU CB C 41.5 0.20 1 1320 202 LEU HB2 H 1.69 0.01 2 1321 202 LEU HB3 H 1.60 0.01 2 1322 202 LEU HD11 H 0.89 0.01 2 1323 202 LEU HD21 H 0.83 0.01 2 1324 203 ARG N N 118.8 0.25 1 1325 203 ARG HN H 7.78 0.01 1 1326 203 ARG CA C 56.0 0.20 1 1327 203 ARG HA H 4.30 0.01 1 1328 203 ARG CB C 30.2 0.20 1 1329 203 ARG HB2 H 1.92 0.01 2 1330 203 ARG HB3 H 1.82 0.01 2 1331 204 GLY N N 108.2 0.25 1 1332 204 GLY HN H 8.25 0.01 1 1333 204 GLY CA C 44.8 0.20 1 1334 204 GLY HA1 H 4.64 0.01 2 1335 204 GLY HA2 H 3.98 0.01 2 1336 205 ALA N N 122.7 0.25 1 1337 205 ALA HN H 8.05 0.01 1 1338 205 ALA CA C 52.1 0.20 1 1339 205 ALA HA H 4.12 0.01 1 1340 205 ALA CB C 19.0 0.20 1 1341 205 ALA HB H 1.60 0.01 1 1342 206 GLY N N 106.6 0.25 1 1343 206 GLY HN H 8.27 0.01 1 1344 206 GLY CA C 44.8 0.20 1 1345 206 GLY HA1 H 4.64 0.01 2 1346 206 GLY HA2 H 3.98 0.01 2 1347 207 ASP N N 120.2 0.25 1 1348 207 ASP HN H 8.14 0.01 1 1349 207 ASP CA C 54.0 0.20 1 1350 207 ASP HA H 4.46 0.01 1 1351 207 ASP CB C 40.8 0.20 1 1352 207 ASP HB2 H 2.74 0.01 2 1353 207 ASP HB3 H 2.60 0.01 2 1354 208 VAL N N 122.2 0.25 1 1355 208 VAL HN H 7.53 0.01 1 1356 208 VAL HA H 4.68 0.01 1 1357 208 VAL HB H 2.10 0.01 1 1358 208 VAL HG11 H 0.88 0.01 2 1359 208 VAL HG21 H 0.88 0.01 2 stop_ loop_ _Atom_shift_assign_ID_ambiguity # # Sets of Atom-shift Assignment Ambiguities # # ------------------------------------------ # Example: 5,4,7 # stop_
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