NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
15412 |
1y6d   |
6147 | cing | 1-original | 1 | STAR | chemical shift |
1 1 MET H H 8.752 0.028 1 2 1 MET N N 122.821 0.235 1 3 1 MET CA C 55.843 0.138 1 4 1 MET HA H 4.706 0.024 1 5 1 MET C C 176.644 0.114 1 6 1 MET CB C 32.821 0.452 1 7 1 MET HB2 H 2.266 0.032 1 8 1 MET HG2 H 1.708 0.025 1 9 1 MET HG3 H 2.736 0.034 1 10 2 ASN H H 8.876 0.022 1 11 2 ASN N N 121.145 0.145 1 12 2 ASN CA C 53.619 0.053 1 13 2 ASN HA H 5.034 0.022 1 14 2 ASN C C 176.207 0.027 1 15 2 ASN CB C 39.544 0.096 1 16 2 ASN HB3 H 3.016 0.020 1 17 3 THR H H 8.370 0.046 1 18 3 THR N N 115.278 0.133 1 19 3 THR CA C 61.681 0.198 1 20 3 THR HA H 4.558 0.037 1 21 3 THR C C 175.724 0.105 1 22 3 THR CB C 70.708 0.071 1 23 3 THR HB H 4.364 0.075 1 24 3 THR CG2 C 23.043 0.112 1 25 3 THR HG2 H 1.410 0.026 1 26 4 ASP H H 9.478 0.065 1 27 4 ASP N N 126.409 0.182 1 28 4 ASP CA C 55.296 0.097 1 29 4 ASP HA H 4.838 0.050 1 30 4 ASP C C 177.181 0.029 1 31 4 ASP CB C 41.362 0.313 1 32 4 ASP HB2 H 2.789 0.020 1 33 5 VAL H H 8.752 0.033 1 34 5 VAL N N 122.708 0.162 1 35 5 VAL CA C 65.383 0.102 1 36 5 VAL HA H 4.289 0.028 1 37 5 VAL C C 175.806 0.189 1 38 5 VAL CB C 31.033 0.558 1 39 5 VAL HB H 2.234 0.031 1 40 5 VAL CG1 C 22.479 0.214 1 41 5 VAL HG1 H 1.336 0.027 1 42 5 VAL CG2 C 18.915 0.232 1 43 5 VAL HG2 H 1.609 0.024 1 44 6 LEU H H 7.534 0.027 1 45 6 LEU N N 120.707 0.139 1 46 6 LEU CA C 55.688 0.072 1 47 6 LEU HA H 4.910 0.052 1 48 6 LEU C C 175.864 0.000 1 49 6 LEU CB C 45.006 0.103 1 50 6 LEU HB2 H 2.327 0.029 1 51 6 LEU HB3 H 1.552 0.028 1 52 6 LEU CG C 25.906 0.176 1 53 6 LEU CD1 C 24.033 0.271 1 54 6 LEU HD1 H 0.427 0.018 1 55 6 LEU CD2 C 26.478 0.173 1 56 6 LEU HD2 H -0.023 0.019 1 57 6 LEU HG H 1.214 0.033 1 58 7 ASN H H 9.536 0.031 1 59 7 ASN N N 127.284 0.197 1 60 7 ASN CA C 52.513 0.062 1 61 7 ASN HA H 5.044 0.056 1 62 7 ASN C C 175.845 0.014 1 63 7 ASN CB C 38.516 0.171 1 64 7 ASN HB2 H 2.930 0.044 1 65 7 ASN HB3 H 3.461 0.044 1 66 8 GLN H H 8.981 0.058 1 67 8 GLN N N 127.475 0.128 1 68 8 GLN CA C 59.078 0.092 1 69 8 GLN HA H 3.934 0.032 1 70 8 GLN C C 179.178 0.311 1 71 8 GLN CB C 28.873 0.118 1 72 8 GLN HB3 H 2.355 0.017 1 73 8 GLN CG C 34.259 0.130 1 74 8 GLN HG2 H 3.067 0.018 1 75 8 GLN HG3 H 2.567 0.043 1 76 9 GLN H H 8.392 0.172 1 77 9 GLN N N 120.498 0.218 1 78 9 GLN CA C 59.589 0.080 1 79 9 GLN HA H 4.304 0.026 1 80 9 GLN C C 179.341 0.534 1 81 9 GLN CB C 28.792 0.147 1 82 9 GLN HB2 H 2.411 0.023 1 83 9 GLN HB3 H 2.137 0.017 1 84 9 GLN HG2 H 1.953 0.057 1 85 9 GLN HG3 H 2.661 0.032 1 86 10 LYS H H 7.719 0.031 1 87 10 LYS N N 120.896 0.127 1 88 10 LYS CA C 58.584 0.198 1 89 10 LYS HA H 4.360 0.022 1 90 10 LYS C C 180.207 0.025 1 91 10 LYS CB C 32.580 0.186 1 92 10 LYS HB2 H 2.084 0.009 1 93 10 LYS CG C 25.942 0.197 1 94 10 LYS HG2 H 1.349 0.028 1 95 10 LYS HG3 H 1.684 0.035 1 96 10 LYS CD C 28.614 0.002 1 97 10 LYS HD2 H 1.095 0.017 1 98 10 LYS CE C 42.885 0.097 1 99 10 LYS HE2 H 3.183 0.041 1 100 11 ILE H H 7.663 0.026 1 101 11 ILE N N 120.998 0.166 1 102 11 ILE CA C 65.042 0.156 1 103 11 ILE HA H 3.966 0.023 1 104 11 ILE C C 179.659 0.030 1 105 11 ILE CB C 37.514 0.171 1 106 11 ILE HB H 2.057 0.024 1 107 11 ILE CG2 C 18.207 0.157 1 108 11 ILE HG2 H 1.037 0.030 1 109 11 ILE CG1 C 29.272 0.372 1 110 11 ILE HG12 H 1.211 0.036 1 111 11 ILE HG13 H 1.579 0.031 1 112 11 ILE CD1 C 12.023 0.362 1 113 11 ILE HD1 H 0.644 0.038 1 114 12 GLU H H 8.540 0.024 1 115 12 GLU N N 123.597 0.157 1 116 12 GLU CA C 59.996 0.254 1 117 12 GLU HA H 4.351 0.039 1 118 12 GLU C C 180.935 0.112 1 119 12 GLU CB C 29.096 0.661 1 120 12 GLU HB2 H 2.486 0.031 1 121 12 GLU HB3 H 2.399 0.025 1 122 12 GLU CG C 37.263 0.171 1 123 12 GLU HG2 H 2.647 0.019 1 124 12 GLU HG3 H 2.814 0.042 1 125 13 GLU H H 8.419 0.018 1 126 13 GLU N N 123.038 0.198 1 127 13 GLU CA C 59.921 0.055 1 128 13 GLU HA H 4.362 0.015 1 129 13 GLU C C 180.302 0.020 1 130 13 GLU CB C 29.728 0.043 1 131 13 GLU HB2 H 2.354 0.025 1 132 13 GLU CG C 37.276 0.202 1 133 13 GLU HG2 H 2.759 0.018 1 134 13 GLU HG3 H 2.490 0.021 1 135 14 LEU H H 8.461 0.023 1 136 14 LEU N N 123.440 0.147 1 137 14 LEU CA C 58.199 0.245 1 138 14 LEU HA H 4.542 0.067 1 139 14 LEU C C 179.912 0.033 1 140 14 LEU CB C 42.432 0.156 1 141 14 LEU HB2 H 2.026 0.039 1 142 14 LEU HB3 H 1.943 0.021 1 143 14 LEU CG C 23.451 0.138 1 144 14 LEU CD1 C 25.083 0.387 1 145 14 LEU HD1 H 1.141 0.019 1 146 14 LEU HG H 3.028 0.051 1 147 15 SER H H 8.762 0.043 1 148 15 SER N N 115.099 0.163 1 149 15 SER CA C 61.717 0.261 1 150 15 SER HA H 4.100 0.014 1 151 15 SER C C 177.491 0.032 1 152 15 SER CB C 63.467 0.206 1 153 15 SER HB2 H 4.249 0.034 1 154 15 SER HB3 H 4.045 0.033 1 155 16 ALA H H 8.016 0.031 1 156 16 ALA N N 122.837 0.137 1 157 16 ALA CA C 54.937 0.119 1 158 16 ALA HA H 4.390 0.029 1 159 16 ALA C C 180.013 0.052 1 160 16 ALA CB C 18.738 0.182 1 161 16 ALA HB H 1.776 0.031 1 162 17 GLU H H 7.969 0.041 1 163 17 GLU N N 119.030 0.112 1 164 17 GLU CA C 59.000 0.192 1 165 17 GLU HA H 4.438 0.034 1 166 17 GLU C C 179.613 0.023 1 167 17 GLU CB C 30.814 0.168 1 168 17 GLU HB2 H 2.469 0.030 1 169 17 GLU CG C 36.341 0.190 1 170 17 GLU HG2 H 2.332 0.011 1 171 17 GLU HG3 H 2.854 0.038 1 172 18 ILE H H 8.588 0.034 1 173 18 ILE N N 111.283 0.153 1 174 18 ILE CA C 61.843 0.033 1 175 18 ILE HA H 4.820 0.037 1 176 18 ILE C C 177.784 0.078 1 177 18 ILE CB C 40.631 0.287 1 178 18 ILE HB H 2.393 0.019 1 179 18 ILE CG2 C 17.869 0.145 1 180 18 ILE HG2 H 1.128 0.021 1 181 18 ILE CD1 C 15.650 0.272 1 182 18 ILE HD1 H 1.424 0.066 1 183 19 GLY H H 8.214 0.030 1 184 19 GLY N N 115.326 0.142 1 185 19 GLY CA C 45.622 0.237 1 186 19 GLY HA2 H 4.132 0.027 1 187 19 GLY HA3 H 4.973 0.071 1 188 19 GLY C C 177.149 0.000 1 189 20 SER H H 9.085 0.022 1 190 20 SER N N 122.980 0.203 1 191 20 SER CA C 62.376 0.123 1 192 20 SER HA H 4.446 0.033 1 193 20 SER C C 177.827 0.007 1 194 20 SER CB C 63.448 0.091 1 195 20 SER HB2 H 4.201 0.010 1 196 20 SER HB3 H 4.268 0.049 1 197 21 ASP H H 9.242 0.072 1 198 21 ASP N N 119.718 0.118 1 199 21 ASP CA C 56.472 0.128 1 200 21 ASP HA H 4.785 0.043 1 201 21 ASP C C 178.255 0.055 1 202 21 ASP CB C 40.491 0.075 1 203 21 ASP HB2 H 2.973 0.042 1 204 21 ASP HB3 H 2.792 0.029 1 205 22 ASN H H 8.113 0.017 1 206 22 ASN N N 116.900 0.104 1 207 22 ASN CA C 54.422 0.086 1 208 22 ASN HA H 5.125 0.058 1 209 22 ASN C C 176.901 0.036 1 210 22 ASN CB C 40.281 0.415 1 211 22 ASN HB2 H 3.084 0.026 1 212 22 ASN HB3 H 2.969 0.045 1 213 23 VAL H H 7.695 0.031 1 214 23 VAL N N 122.377 0.313 1 215 23 VAL CA C 68.932 0.309 1 216 23 VAL HA H 4.037 0.042 1 217 23 VAL C C 174.854 0.290 1 218 23 VAL CB C 30.763 0.109 1 219 23 VAL HB H 2.682 0.027 1 220 23 VAL CG1 C 23.422 0.314 1 221 23 VAL HG1 H 1.371 0.024 1 222 23 VAL CG2 C 21.963 0.230 1 223 23 VAL HG2 H 1.208 0.032 1 224 24 PRO CA C 67.152 0.070 1 225 24 PRO HA H 4.476 0.027 1 226 24 PRO C C 179.335 0.000 1 227 24 PRO CB C 30.873 0.000 1 228 24 PRO HB2 H 4.020 0.013 1 229 25 VAL H H 7.122 0.121 1 230 25 VAL N N 116.734 0.763 1 231 25 VAL CA C 66.202 0.251 1 232 25 VAL HA H 4.123 0.025 1 233 25 VAL C C 179.334 0.103 1 234 25 VAL CB C 31.693 0.209 1 235 25 VAL HB H 2.270 0.079 1 236 25 VAL CG1 C 21.635 0.199 1 237 25 VAL HG1 H 1.267 0.043 1 238 25 VAL CG2 C 18.318 0.133 1 239 26 LEU H H 7.637 0.037 1 240 26 LEU N N 120.797 0.224 1 241 26 LEU CA C 57.944 0.076 1 242 26 LEU HA H 4.429 0.019 1 243 26 LEU C C 181.002 0.110 1 244 26 LEU CB C 42.019 0.115 1 245 26 LEU HB2 H 2.031 0.031 1 246 26 LEU HB3 H 1.278 0.077 1 247 26 LEU CG C 23.066 0.065 1 248 26 LEU CD1 C 23.726 0.409 1 249 26 LEU HD1 H 1.143 0.043 1 250 26 LEU CD2 C 25.451 0.088 1 251 26 LEU HD2 H 1.504 0.016 1 252 26 LEU HG H 3.322 0.082 1 253 27 LEU H H 8.839 0.043 1 254 27 LEU N N 119.936 0.157 1 255 27 LEU CA C 58.465 0.175 1 256 27 LEU HA H 4.006 0.020 1 257 27 LEU C C 179.657 0.000 1 258 27 LEU CB C 41.973 0.104 1 259 27 LEU HB2 H 1.732 0.048 1 260 27 LEU HB3 H 2.061 0.037 1 261 27 LEU CG C 23.556 0.136 1 262 27 LEU HG H 0.963 0.028 1 263 28 ASP H H 8.309 0.073 1 264 28 ASP N N 120.351 0.042 1 265 28 ASP CA C 58.315 0.335 1 266 28 ASP HA H 4.732 0.052 1 267 28 ASP C C 180.921 0.000 1 268 28 ASP CB C 40.919 0.144 1 269 28 ASP HB2 H 3.111 0.031 1 270 28 ASP HB3 H 2.879 0.040 1 271 29 ILE H H 7.744 0.026 1 272 29 ILE N N 122.931 0.162 1 273 29 ILE CA C 65.232 0.103 1 274 29 ILE HA H 3.963 0.030 1 275 29 ILE C C 179.709 0.052 1 276 29 ILE CB C 37.351 0.161 1 277 29 ILE HB H 2.037 0.047 1 278 29 ILE CG2 C 17.303 0.186 1 279 29 ILE CG1 C 29.500 0.419 1 280 29 ILE HG12 H 1.179 0.021 1 281 29 ILE HG13 H 1.585 0.021 1 282 29 ILE CD1 C 12.866 0.227 1 283 29 ILE HD1 H 0.593 0.022 1 284 30 PHE H H 7.754 0.041 1 285 30 PHE N N 124.037 0.245 1 286 30 PHE CA C 59.084 0.042 1 287 30 PHE HA H 4.788 0.050 1 288 30 PHE C C 178.564 0.004 1 289 30 PHE CB C 40.318 0.400 1 290 30 PHE HB2 H 2.718 0.048 1 291 30 PHE HB3 H 2.380 0.032 1 292 30 PHE HD1 H 7.250 0.002 1 293 31 LEU H H 9.006 0.038 1 294 31 LEU N N 120.953 0.179 1 295 31 LEU CA C 58.832 0.141 1 296 31 LEU HA H 3.701 0.074 1 297 31 LEU C C 179.645 0.021 1 298 31 LEU CB C 41.940 0.161 1 299 31 LEU HB2 H 2.110 0.027 1 300 31 LEU HB3 H 1.693 0.051 1 301 31 LEU CG C 26.035 0.230 1 302 31 LEU HD1 H 1.134 0.026 1 303 31 LEU CD2 C 26.111 0.000 1 304 31 LEU HG H 1.074 0.031 1 305 32 GLY H H 8.128 0.028 1 306 32 GLY N N 107.076 0.121 1 307 32 GLY CA C 47.435 0.107 1 308 32 GLY HA3 H 4.014 0.023 1 309 32 GLY C C 178.324 0.000 1 310 33 GLU H H 8.225 0.019 1 311 33 GLU N N 125.602 0.068 1 312 33 GLU CA C 59.570 0.059 1 313 33 GLU HA H 3.899 0.056 1 314 33 GLU C C 178.711 0.071 1 315 33 GLU CB C 28.972 0.079 1 316 33 GLU HB2 H 1.763 0.030 1 317 33 GLU HB3 H 2.420 0.029 1 318 33 GLU CG C 36.831 0.124 1 319 33 GLU HG2 H 2.188 0.032 1 320 33 GLU HG3 H 2.513 0.034 1 321 34 MET H H 8.188 0.016 1 322 34 MET N N 117.582 0.171 1 323 34 MET CA C 61.093 0.156 1 324 34 MET HA H 3.814 0.035 1 325 34 MET C C 179.020 0.086 1 326 34 MET CB C 33.674 0.235 1 327 34 MET HB3 H 1.771 0.046 1 328 34 MET HG2 H 2.230 0.330 1 329 35 ASP H H 8.681 0.028 1 330 35 ASP N N 119.300 0.107 1 331 35 ASP CA C 58.280 0.032 1 332 35 ASP HA H 4.463 0.052 1 333 35 ASP C C 180.937 0.058 1 334 35 ASP CB C 40.537 0.117 1 335 35 ASP HB2 H 3.047 0.015 1 336 35 ASP HB3 H 2.779 0.044 1 337 36 SER H H 8.016 0.020 1 338 36 SER N N 119.158 0.137 1 339 36 SER CA C 62.026 0.121 1 340 36 SER HA H 4.536 0.061 1 341 36 SER C C 177.772 0.056 1 342 36 SER CB C 62.478 0.165 1 343 36 SER HB2 H 4.246 0.068 1 344 36 SER HB3 H 4.349 0.025 1 345 37 TYR H H 8.844 0.031 1 346 37 TYR N N 124.421 0.304 1 347 37 TYR CA C 57.718 0.155 1 348 37 TYR HA H 5.681 0.049 1 349 37 TYR C C 180.118 0.035 1 350 37 TYR CB C 38.297 0.289 1 351 37 TYR HB2 H 3.342 0.034 1 352 37 TYR HB3 H 3.475 0.071 1 353 37 TYR HD1 H 7.123 0.023 1 354 38 ILE H H 8.850 0.017 1 355 38 ILE N N 119.182 0.168 1 356 38 ILE CA C 66.676 0.302 1 357 38 ILE HA H 4.220 0.038 1 358 38 ILE C C 180.154 0.135 1 359 38 ILE CB C 41.301 0.616 1 360 38 ILE HB H 2.404 0.028 1 361 38 ILE CG2 C 17.399 0.047 1 362 38 ILE HG2 H 1.766 0.022 1 363 38 ILE CG1 C 37.375 0.147 1 364 38 ILE HG12 H 2.691 0.043 1 365 38 ILE HG13 H 1.030 0.036 1 366 38 ILE CD1 C 18.892 0.047 1 367 38 ILE HD1 H 1.457 0.037 1 368 39 GLY H H 8.456 0.038 1 369 39 GLY N N 108.362 0.140 1 370 39 GLY CA C 47.633 0.139 1 371 39 GLY HA2 H 4.250 0.038 1 372 39 GLY HA3 H 4.027 0.041 1 373 39 GLY C C 177.226 0.000 1 374 40 THR H H 8.584 0.044 1 375 40 THR N N 119.533 0.236 1 376 40 THR CA C 67.473 0.410 1 377 40 THR HA H 4.308 0.054 1 378 40 THR C C 177.018 0.042 1 379 40 THR CB C 70.687 0.367 1 380 40 THR HB H 4.208 0.032 1 381 40 THR CG2 C 21.267 0.401 1 382 40 THR HG2 H 0.615 0.027 1 383 41 LEU H H 8.944 0.055 1 384 41 LEU N N 121.763 0.150 1 385 41 LEU CA C 58.774 0.069 1 386 41 LEU HA H 4.238 0.026 1 387 41 LEU C C 178.619 0.080 1 388 41 LEU CB C 42.960 0.126 1 389 41 LEU HB2 H 2.176 0.015 1 390 41 LEU HB3 H 2.005 0.043 1 391 41 LEU CG C 25.635 0.087 1 392 41 LEU CD1 C 21.314 0.168 1 393 41 LEU HD1 H 0.546 0.040 1 394 41 LEU CD2 C 18.697 0.277 1 395 41 LEU HD2 H 1.488 0.018 1 396 41 LEU HG H 1.198 0.032 1 397 42 THR H H 7.808 0.038 1 398 42 THR N N 109.695 0.161 1 399 42 THR CA C 66.645 0.414 1 400 42 THR HA H 4.199 0.034 1 401 42 THR C C 176.073 0.153 1 402 42 THR CB C 69.636 0.146 1 403 42 THR HB H 4.400 0.066 1 404 42 THR CG2 C 22.293 0.181 1 405 42 THR HG2 H 1.527 0.038 1 406 43 GLU H H 7.516 0.026 1 407 43 GLU N N 120.616 0.133 1 408 43 GLU CA C 57.880 0.098 1 409 43 GLU HA H 4.490 0.032 1 410 43 GLU C C 178.244 0.085 1 411 43 GLU CB C 31.303 0.032 1 412 43 GLU HB3 H 2.389 0.057 1 413 43 GLU CG C 36.300 0.041 1 414 43 GLU HG2 H 2.554 0.036 1 415 44 LEU H H 7.649 0.023 1 416 44 LEU N N 120.438 0.232 1 417 44 LEU CA C 55.293 0.112 1 418 44 LEU HA H 4.651 0.047 1 419 44 LEU C C 176.154 0.098 1 420 44 LEU CB C 44.740 0.145 1 421 44 LEU HB2 H 2.141 0.024 1 422 44 LEU HB3 H 2.033 0.035 1 423 44 LEU CG C 28.076 0.098 1 424 44 LEU CD1 C 22.448 0.189 1 425 44 LEU HD1 H 0.978 0.055 1 426 44 LEU CD2 C 27.886 0.373 1 427 44 LEU HD2 H 0.713 0.014 1 428 44 LEU HG H 1.255 0.047 1 429 45 GLN H H 8.755 0.021 1 430 45 GLN N N 116.581 0.122 1 431 45 GLN CA C 54.223 0.073 1 432 45 GLN HA H 4.969 0.041 1 433 45 GLN C C 178.073 0.009 1 434 45 GLN CB C 33.441 0.159 1 435 45 GLN HB2 H 2.170 0.015 1 436 45 GLN HB3 H 2.491 0.050 1 437 45 GLN CG C 29.558 0.106 1 438 45 GLN HG2 H 1.160 0.012 1 439 45 GLN HG3 H 1.358 0.037 1 440 46 GLY H H 9.107 0.017 1 441 46 GLY N N 109.874 0.163 1 442 46 GLY CA C 47.570 1.324 1 443 46 GLY HA2 H 4.162 0.029 1 444 46 GLY HA3 H 4.277 0.011 1 445 46 GLY C C 177.195 0.000 1 446 47 SER H H 9.312 0.009 1 447 47 SER N N 123.557 0.291 1 448 47 SER CA C 61.991 0.143 1 449 47 SER HA H 4.775 0.026 1 450 47 SER C C 178.032 0.038 1 451 47 SER HB2 H 4.395 0.013 1 452 47 SER HB3 H 4.318 0.048 1 453 48 GLU H H 8.868 0.032 1 454 48 GLU N N 122.896 0.132 1 455 48 GLU CA C 60.176 0.188 1 456 48 GLU HA H 4.289 0.037 1 457 48 GLU C C 180.136 0.114 1 458 48 GLU CB C 29.675 0.183 1 459 48 GLU HB3 H 2.368 0.045 1 460 48 GLU CG C 37.286 0.117 1 461 48 GLU HG2 H 2.669 0.045 1 462 48 GLU HG3 H 2.517 0.020 1 463 49 GLN H H 7.498 0.051 1 464 49 GLN N N 121.497 0.246 1 465 49 GLN CA C 59.152 0.291 1 466 49 GLN HA H 3.958 0.038 1 467 49 GLN C C 177.783 0.124 1 468 49 GLN CB C 28.965 0.138 1 469 49 GLN HB2 H 2.475 0.067 1 470 49 GLN CG C 34.646 0.024 1 471 49 GLN HG2 H 1.462 0.035 1 472 50 LEU H H 7.727 0.038 1 473 50 LEU N N 120.709 0.155 1 474 50 LEU CA C 58.413 0.244 1 475 50 LEU HA H 4.366 0.049 1 476 50 LEU C C 179.774 0.094 1 477 50 LEU CB C 42.479 0.183 1 478 50 LEU HB2 H 1.977 0.039 1 479 50 LEU HB3 H 1.866 0.023 1 480 50 LEU CG C 30.819 0.054 1 481 50 LEU CD1 C 24.949 0.216 1 482 50 LEU HD1 H 1.123 0.037 1 483 50 LEU CD2 C 25.542 0.375 1 484 51 LEU H H 8.294 0.024 1 485 51 LEU N N 120.250 0.221 1 486 51 LEU CA C 58.732 0.130 1 487 51 LEU HA H 4.341 0.059 1 488 51 LEU C C 180.511 0.031 1 489 51 LEU CB C 42.632 0.334 1 490 51 LEU HB2 H 1.999 0.041 1 491 51 LEU HB3 H 3.072 0.053 1 492 51 LEU CG C 28.012 0.130 1 493 51 LEU CD1 C 25.183 0.253 1 494 51 LEU HD1 H 1.153 0.025 1 495 51 LEU HG H 2.594 0.026 1 496 52 TYR H H 8.102 0.038 1 497 52 TYR N N 122.024 0.169 1 498 52 TYR CA C 62.237 0.171 1 499 52 TYR HA H 4.510 0.038 1 500 52 TYR C C 178.017 0.073 1 501 52 TYR CB C 39.932 0.361 1 502 52 TYR HB2 H 3.431 0.036 1 503 52 TYR HB3 H 3.300 0.033 1 504 52 TYR HD1 H 7.206 0.009 1 505 53 LEU H H 8.763 0.036 1 506 53 LEU N N 120.649 0.165 1 507 53 LEU CA C 58.603 0.124 1 508 53 LEU HA H 4.000 0.031 1 509 53 LEU C C 180.921 0.012 1 510 53 LEU CB C 42.434 0.071 1 511 53 LEU HB2 H 1.390 0.012 1 512 53 LEU CD1 C 18.673 0.111 1 513 53 LEU HD1 H 1.850 0.033 1 514 53 LEU CD2 C 25.148 0.209 1 515 53 LEU HD2 H 1.123 0.023 1 516 54 LYS H H 8.310 0.027 1 517 54 LYS N N 120.514 0.184 1 518 54 LYS CA C 61.246 0.204 1 519 54 LYS HA H 3.835 0.052 1 520 54 LYS C C 179.611 0.053 1 521 54 LYS CB C 32.911 0.267 1 522 54 LYS HB2 H 1.926 0.066 1 523 54 LYS HB3 H 2.160 0.031 1 524 54 LYS CG C 25.431 0.432 1 525 54 LYS HG2 H 1.005 0.046 1 526 54 LYS HG3 H 1.381 0.027 1 527 54 LYS CD C 30.214 0.331 1 528 54 LYS HD2 H 1.682 0.053 1 529 54 LYS HD3 H 2.243 0.020 1 530 54 LYS CE C 42.730 0.199 1 531 54 LYS HE2 H 3.150 0.015 1 532 54 LYS HE3 H 3.050 0.043 1 533 55 GLU H H 8.046 0.021 1 534 55 GLU N N 122.657 0.208 1 535 55 GLU CA C 59.868 0.236 1 536 55 GLU HA H 4.286 0.039 1 537 55 GLU C C 181.425 0.053 1 538 55 GLU CB C 30.349 0.349 1 539 55 GLU HB2 H 1.788 0.011 1 540 55 GLU HB3 H 2.325 0.026 1 541 55 GLU CG C 36.655 0.416 1 542 55 GLU HG2 H 2.554 0.034 1 543 55 GLU HG3 H 2.343 0.033 1 544 56 ILE H H 8.934 0.041 1 545 56 ILE N N 116.511 0.138 1 546 56 ILE CA C 65.114 0.147 1 547 56 ILE HA H 3.941 0.020 1 548 56 ILE C C 179.480 0.029 1 549 56 ILE CB C 38.100 1.497 1 550 56 ILE HB H 1.086 0.023 1 551 56 ILE CG2 C 19.301 0.247 1 552 56 ILE HG2 H 0.167 0.022 1 553 56 ILE CG1 C 25.912 0.191 1 554 56 ILE HG12 H 1.309 0.031 1 555 56 ILE HG13 H 1.507 0.039 1 556 56 ILE CD1 C 15.819 0.190 1 557 56 ILE HD1 H 0.738 0.033 1 558 57 SER H H 8.230 0.021 1 559 57 SER N N 120.720 0.164 1 560 57 SER CA C 63.603 0.289 1 561 57 SER HA H 4.167 0.030 1 562 57 SER C C 175.923 0.047 1 563 57 SER CB C 68.080 0.166 1 564 57 SER HB2 H 4.207 0.011 1 565 58 HIS H H 7.769 0.051 1 566 58 HIS N N 120.177 0.142 1 567 58 HIS CA C 60.087 0.178 1 568 58 HIS HA H 4.251 0.015 1 569 58 HIS C C 177.799 0.035 1 570 58 HIS CB C 29.787 0.280 1 571 58 HIS HB2 H 3.508 0.020 1 572 58 HIS HD2 H 6.956 0.078 1 573 59 ALA H H 7.775 0.024 1 574 59 ALA N N 122.179 0.108 1 575 59 ALA CA C 55.709 0.079 1 576 59 ALA HA H 4.272 0.022 1 577 59 ALA C C 182.145 0.069 1 578 59 ALA CB C 18.802 0.106 1 579 59 ALA HB H 1.784 0.036 1 580 60 LEU H H 9.146 0.036 1 581 60 LEU N N 120.196 0.116 1 582 60 LEU CA C 57.034 0.181 1 583 60 LEU HA H 4.762 0.037 1 584 60 LEU C C 179.714 0.097 1 585 60 LEU CB C 44.559 0.169 1 586 60 LEU HB2 H 2.172 0.032 1 587 60 LEU HB3 H 2.020 0.026 1 588 60 LEU CG C 26.011 0.046 1 589 60 LEU CD1 C 24.387 0.284 1 590 60 LEU HD1 H 1.369 0.017 1 591 60 LEU CD2 C 26.124 0.160 1 592 60 LEU HD2 H 0.909 0.011 1 593 60 LEU HG H 1.475 0.053 1 594 61 LYS H H 7.831 0.038 1 595 61 LYS N N 117.745 0.102 1 596 61 LYS CA C 59.932 0.146 1 597 61 LYS HA H 4.321 0.027 1 598 61 LYS C C 177.329 0.027 1 599 61 LYS CB C 31.283 0.554 1 600 61 LYS HB2 H 1.933 0.048 1 601 61 LYS HB3 H 1.754 0.036 1 602 61 LYS CG C 24.066 0.035 1 603 61 LYS HG3 H 1.131 0.036 1 604 61 LYS CD C 24.485 0.073 1 605 61 LYS CE C 42.367 0.201 1 606 61 LYS HE2 H 3.022 0.033 1 607 61 LYS HE3 H 3.106 0.037 1 608 62 SER H H 7.362 0.051 1 609 62 SER N N 111.109 0.141 1 610 62 SER CA C 60.034 0.125 1 611 62 SER HA H 4.831 0.065 1 612 62 SER C C 177.322 0.146 1 613 62 SER CB C 63.118 0.212 1 614 62 SER HB2 H 3.555 0.076 1 615 62 SER HB3 H 4.090 0.022 1 616 63 SER H H 8.521 0.028 1 617 63 SER N N 119.693 0.127 1 618 63 SER CA C 61.492 0.183 1 619 63 SER HA H 4.311 0.018 1 620 63 SER C C 177.339 0.097 1 621 63 SER CB C 63.445 0.144 1 622 63 SER HB2 H 4.252 0.033 1 623 63 SER HB3 H 4.058 0.024 1 624 64 ALA H H 9.140 0.031 1 625 64 ALA N N 123.310 0.095 1 626 64 ALA CA C 55.777 0.102 1 627 64 ALA HA H 4.303 0.016 1 628 64 ALA C C 180.572 0.050 1 629 64 ALA CB C 17.726 0.124 1 630 64 ALA HB H 1.895 0.032 1 631 65 ALA H H 6.928 0.043 1 632 65 ALA N N 119.243 0.102 1 633 65 ALA CA C 55.136 0.037 1 634 65 ALA HA H 4.377 0.028 1 635 65 ALA C C 181.815 0.036 1 636 65 ALA CB C 18.859 0.103 1 637 65 ALA HB H 1.814 0.016 1 638 66 SER H H 7.742 0.019 1 639 66 SER N N 115.157 0.122 1 640 66 SER CA C 61.758 0.180 1 641 66 SER HA H 4.183 0.019 1 642 66 SER C C 175.285 0.074 1 643 66 SER CB C 62.855 0.111 1 644 66 SER HB2 H 3.483 0.041 1 645 67 PHE H H 6.990 0.035 1 646 67 PHE N N 113.622 0.135 1 647 67 PHE CA C 57.060 0.465 1 648 67 PHE HA H 4.707 0.065 1 649 67 PHE C C 177.100 0.019 1 650 67 PHE CB C 39.575 0.199 1 651 67 PHE HB2 H 3.249 0.021 1 652 67 PHE HB3 H 1.884 0.030 1 653 67 PHE HD2 H 7.086 0.014 1 654 68 GLY H H 7.730 0.033 1 655 68 GLY N N 108.123 0.138 1 656 68 GLY CA C 47.240 0.255 1 657 68 GLY HA2 H 4.281 0.046 1 658 68 GLY HA3 H 4.143 0.046 1 659 68 GLY C C 174.366 0.000 1 660 69 ALA H H 8.424 0.026 1 661 69 ALA N N 128.549 0.088 1 662 69 ALA CA C 50.384 0.127 1 663 69 ALA HA H 5.662 0.695 1 664 69 ALA C C 178.945 0.018 1 665 69 ALA CB C 16.582 0.105 1 666 69 ALA HB H 2.348 0.799 1 667 70 ASP H H 7.679 0.024 1 668 70 ASP N N 123.535 0.109 1 669 70 ASP CA C 58.322 0.447 1 670 70 ASP HA H 4.401 0.023 1 671 70 ASP C C 179.551 0.147 1 672 70 ASP CB C 40.644 0.457 1 673 70 ASP HB2 H 2.782 0.033 1 674 70 ASP HB3 H 3.438 0.021 1 675 71 ARG H H 8.490 0.032 1 676 71 ARG N N 124.166 0.122 1 677 71 ARG CA C 60.201 0.226 1 678 71 ARG HA H 4.274 0.031 1 679 71 ARG C C 180.003 0.017 1 680 71 ARG CB C 30.198 0.163 1 681 71 ARG HB2 H 1.846 0.035 1 682 71 ARG HB3 H 2.084 0.028 1 683 71 ARG CG C 26.284 0.183 1 684 71 ARG HG2 H 1.734 0.030 1 685 71 ARG HG3 H 1.088 0.036 1 686 71 ARG CD C 42.897 0.425 1 687 71 ARG HD2 H 3.203 0.032 1 688 72 LEU H H 9.062 0.037 1 689 72 LEU N N 122.965 0.249 1 690 72 LEU CA C 58.495 0.396 1 691 72 LEU HA H 4.278 0.051 1 692 72 LEU C C 178.176 0.000 1 693 72 LEU CB C 42.236 0.167 1 694 72 LEU HB2 H 3.136 0.034 1 695 72 LEU HB3 H 1.812 0.042 1 696 72 LEU CG C 32.431 0.000 1 697 72 LEU CD1 C 28.391 0.205 1 698 72 LEU HD1 H 1.126 0.026 1 699 72 LEU CD2 C 27.245 0.179 1 700 72 LEU HD2 H 0.770 0.073 1 701 72 LEU HG H 1.227 0.064 1 702 73 CYS H H 9.114 0.051 1 703 73 CYS N N 120.054 0.200 1 704 73 CYS CA C 64.399 0.215 1 705 73 CYS HA H 3.846 0.056 1 706 73 CYS C C 176.800 0.004 1 707 73 CYS CB C 27.418 0.152 1 708 73 CYS HB2 H 3.276 0.046 1 709 73 CYS HB3 H 2.952 0.039 1 710 74 GLU H H 8.527 0.042 1 711 74 GLU N N 117.730 0.087 1 712 74 GLU CA C 60.178 0.223 1 713 74 GLU HA H 4.177 0.037 1 714 74 GLU C C 180.413 0.087 1 715 74 GLU CB C 29.953 0.197 1 716 74 GLU HB3 H 2.408 0.024 1 717 74 GLU CG C 37.011 0.423 1 718 74 GLU HG2 H 2.530 0.011 1 719 74 GLU HG3 H 2.685 0.018 1 720 75 ARG H H 7.991 0.043 1 721 75 ARG N N 121.251 0.132 1 722 75 ARG CA C 57.849 0.214 1 723 75 ARG HA H 4.406 0.054 1 724 75 ARG C C 178.740 0.046 1 725 75 ARG CB C 29.964 0.133 1 726 75 ARG HB2 H 1.905 0.024 1 727 75 ARG HB3 H 2.167 0.010 1 728 75 ARG CG C 25.470 0.126 1 729 75 ARG HG2 H 1.518 0.007 1 730 75 ARG HG3 H 2.484 0.011 1 731 75 ARG CD C 42.431 0.331 1 732 75 ARG HD2 H 3.511 0.027 1 733 75 ARG HD3 H 3.147 0.033 1 734 76 ALA H H 8.856 0.039 1 735 76 ALA N N 123.382 0.332 1 736 76 ALA CA C 56.099 0.325 1 737 76 ALA HA H 4.233 0.025 1 738 76 ALA C C 180.312 0.160 1 739 76 ALA CB C 18.618 0.227 1 740 76 ALA HB H 1.766 0.136 1 741 77 ILE H H 8.983 0.039 1 742 77 ILE N N 118.802 0.110 1 743 77 ILE CA C 66.260 0.099 1 744 77 ILE HA H 3.743 0.076 1 745 77 ILE C C 179.512 0.024 1 746 77 ILE CB C 38.853 0.225 1 747 77 ILE HB H 2.124 0.060 1 748 77 ILE CG2 C 18.058 0.289 1 749 77 ILE HG2 H 1.171 0.026 1 750 77 ILE HG12 H 1.061 0.045 1 751 77 ILE HG13 H 2.335 0.037 1 752 77 ILE CD1 C 15.951 0.143 1 753 77 ILE HD1 H 0.715 0.037 1 754 78 ALA H H 7.925 0.044 1 755 78 ALA N N 123.428 0.125 1 756 78 ALA CA C 55.531 0.342 1 757 78 ALA HA H 4.434 0.024 1 758 78 ALA C C 182.108 0.046 1 759 78 ALA CB C 18.632 0.050 1 760 78 ALA HB H 1.805 0.042 1 761 79 ILE H H 8.870 0.027 1 762 79 ILE N N 121.564 0.249 1 763 79 ILE CA C 66.137 0.099 1 764 79 ILE HA H 3.809 0.071 1 765 79 ILE C C 178.159 0.017 1 766 79 ILE CB C 37.514 0.142 1 767 79 ILE HB H 2.058 0.028 1 768 79 ILE CG2 C 18.562 0.177 1 769 79 ILE HG2 H 1.024 0.017 1 770 79 ILE CG1 C 29.713 0.182 1 771 79 ILE HG12 H 1.180 0.036 1 772 79 ILE HG13 H 1.577 0.083 1 773 79 ILE CD1 C 13.737 0.459 1 774 80 ASP H H 8.836 0.028 1 775 80 ASP N N 122.207 0.162 1 776 80 ASP CA C 57.922 0.046 1 777 80 ASP HA H 4.866 0.100 1 778 80 ASP C C 178.933 0.031 1 779 80 ASP CB C 43.345 0.173 1 780 80 ASP HB2 H 2.994 0.055 1 781 80 ASP HB3 H 2.721 0.022 1 782 81 LYS H H 8.459 0.029 1 783 81 LYS N N 119.097 0.186 1 784 81 LYS CA C 60.185 0.180 1 785 81 LYS HA H 4.228 0.032 1 786 81 LYS C C 181.067 0.074 1 787 81 LYS CB C 32.644 0.394 1 788 81 LYS HB2 H 2.130 0.043 1 789 81 LYS CG C 25.441 0.157 1 790 81 LYS HG2 H 1.119 0.030 1 791 81 LYS HG3 H 2.176 0.029 1 792 81 LYS CD C 30.448 0.424 1 793 81 LYS HD2 H 1.927 0.033 1 794 81 LYS HD3 H 1.710 0.022 1 795 81 LYS CE C 42.553 0.247 1 796 81 LYS HE2 H 3.042 0.022 1 797 81 LYS HE3 H 3.191 0.031 1 798 82 LYS H H 8.048 0.038 1 799 82 LYS N N 121.295 0.237 1 800 82 LYS CA C 60.105 0.137 1 801 82 LYS HA H 4.293 0.020 1 802 82 LYS C C 180.099 0.019 1 803 82 LYS CB C 34.262 0.378 1 804 82 LYS HB2 H 1.801 0.044 1 805 82 LYS HB3 H 2.233 0.042 1 806 82 LYS CG C 26.781 0.054 1 807 82 LYS CD C 30.764 0.148 1 808 82 LYS HD2 H 2.193 0.018 1 809 82 LYS HD3 H 2.573 0.024 1 810 82 LYS CE C 42.538 0.423 1 811 82 LYS HE2 H 3.139 0.012 1 812 83 ALA H H 9.326 0.036 1 813 83 ALA N N 124.069 0.233 1 814 83 ALA CA C 55.807 0.221 1 815 83 ALA HA H 4.285 0.012 1 816 83 ALA C C 182.896 0.099 1 817 83 ALA CB C 18.950 0.092 1 818 83 ALA HB H 1.793 0.035 1 819 84 LYS H H 8.523 0.015 1 820 84 LYS N N 121.584 0.119 1 821 84 LYS CA C 59.323 0.137 1 822 84 LYS HA H 4.266 0.030 1 823 84 LYS C C 178.363 0.029 1 824 84 LYS CB C 32.710 0.176 1 825 84 LYS HB3 H 2.197 0.031 1 826 84 LYS CG C 26.660 0.424 1 827 84 LYS HG2 H 1.627 0.006 1 828 84 LYS HG3 H 1.885 0.033 1 829 84 LYS CD C 28.995 0.025 1 830 84 LYS HD2 H 1.922 0.048 1 831 84 LYS HD3 H 1.246 0.040 1 832 84 LYS CE C 42.953 0.968 1 833 84 LYS HE2 H 3.205 0.036 1 834 84 LYS HE3 H 3.129 0.033 1 835 85 ALA H H 7.577 0.035 1 836 85 ALA N N 120.378 0.149 1 837 85 ALA CA C 52.070 0.120 1 838 85 ALA HA H 4.670 0.031 1 839 85 ALA C C 177.392 0.015 1 840 85 ALA CB C 18.819 0.130 1 841 85 ALA HB H 1.609 0.058 1 842 86 ASN H H 8.317 0.041 1 843 86 ASN N N 116.621 0.092 1 844 86 ASN CA C 54.748 0.102 1 845 86 ASN HA H 4.781 0.041 1 846 86 ASN C C 176.618 0.014 1 847 86 ASN CB C 37.426 0.135 1 848 86 ASN HB2 H 3.388 0.046 1 849 86 ASN HB3 H 3.054 0.021 1 850 86 ASN CG C 178.015 0.000 1 851 87 GLN H H 8.572 0.048 1 852 87 GLN N N 115.106 0.114 1 853 87 GLN CA C 55.287 0.149 1 854 87 GLN HA H 4.738 0.025 1 855 87 GLN C C 176.892 0.065 1 856 87 GLN CB C 29.993 0.097 1 857 87 GLN HB2 H 1.897 0.033 1 858 87 GLN HB3 H 2.538 0.038 1 859 87 GLN CG C 33.962 0.110 1 860 87 GLN HG2 H 3.654 0.077 1 861 87 GLN HG3 H 3.414 0.044 1 862 88 LEU H H 7.994 0.021 1 863 88 LEU N N 122.146 0.238 1 864 88 LEU CA C 54.902 0.054 1 865 88 LEU HA H 4.742 0.037 1 866 88 LEU C C 177.005 0.049 1 867 88 LEU CB C 42.679 0.189 1 868 88 LEU HB2 H 1.872 0.034 1 869 88 LEU HB3 H 1.654 0.046 1 870 88 LEU CG C 32.719 0.096 1 871 88 LEU CD1 C 25.394 0.186 1 872 88 LEU HD1 H 1.064 0.034 1 873 88 LEU CD2 C 24.338 0.285 1 874 88 LEU HD2 H 1.116 0.008 1 875 88 LEU HG H 2.215 0.040 1 876 89 GLN H H 9.249 0.026 1 877 89 GLN N N 123.906 0.180 1 878 89 GLN CA C 55.192 0.122 1 879 89 GLN HA H 4.735 0.051 1 880 89 GLN C C 177.777 0.049 1 881 89 GLN CB C 30.716 0.141 1 882 89 GLN HB2 H 2.441 0.031 1 883 89 GLN HB3 H 2.197 0.031 1 884 89 GLN CG C 34.553 0.211 1 885 89 GLN HG2 H 3.261 0.080 1 886 89 GLN HG3 H 1.679 0.063 1 887 90 GLU H H 9.352 0.025 1 888 90 GLU N N 124.249 0.115 1 889 90 GLU CA C 58.983 0.073 1 890 90 GLU HA H 4.312 0.044 1 891 90 GLU C C 178.072 0.089 1 892 90 GLU CB C 29.926 0.087 1 893 90 GLU HB3 H 2.322 0.041 1 894 90 GLU CG C 36.754 0.158 1 895 90 GLU HG2 H 2.452 0.031 1 896 91 GLN H H 8.954 0.053 1 897 91 GLN N N 117.830 0.185 1 898 91 GLN CA C 57.373 0.078 1 899 91 GLN HA H 4.495 0.058 1 900 91 GLN C C 177.562 0.071 1 901 91 GLN CB C 27.932 0.278 1 902 91 GLN HB2 H 2.085 0.026 1 903 91 GLN HB3 H 2.540 0.060 1 904 91 GLN CG C 34.507 0.115 1 905 91 GLN HG3 H 2.515 0.055 1 906 92 GLY H H 8.230 0.030 1 907 92 GLY N N 108.316 0.158 1 908 92 GLY CA C 45.727 0.071 1 909 92 GLY HA2 H 4.402 0.005 1 910 92 GLY HA3 H 4.357 0.031 1 911 92 GLY C C 175.728 0.000 1 912 93 MET H H 8.873 0.016 1 913 93 MET N N 119.753 0.163 1 914 93 MET CA C 56.453 0.065 1 915 93 MET HA H 4.815 0.025 1 916 93 MET C C 179.060 0.696 1 917 93 MET CB C 32.643 0.150 1 918 93 MET HB2 H 2.781 0.042 1 919 93 MET HB3 H 2.215 0.035 1 920 93 MET CG C 32.694 0.280 1 921 93 MET HG2 H 2.446 0.033 1 922 93 MET HG3 H 1.350 0.025 1 923 94 GLU H H 9.139 0.031 1 924 94 GLU N N 120.165 0.142 1 925 94 GLU CA C 62.047 0.262 1 926 94 GLU HA H 4.295 0.024 1 927 94 GLU C C 179.723 0.093 1 928 94 GLU CB C 29.002 0.103 1 929 94 GLU HB2 H 2.053 0.036 1 930 94 GLU HB3 H 1.307 0.026 1 931 94 GLU CG C 37.451 0.187 1 932 94 GLU HG2 H 2.629 0.028 1 933 95 THR H H 8.704 0.018 1 934 95 THR N N 116.422 0.179 1 935 95 THR CA C 68.577 0.094 1 936 95 THR HA H 4.172 0.049 1 937 95 THR C C 177.079 0.022 1 938 95 THR CB C 68.985 0.067 1 939 95 THR HB H 4.010 0.046 1 940 95 THR CG2 C 23.184 0.210 1 941 95 THR HG2 H 1.209 0.035 1 942 96 SER H H 8.447 0.023 1 943 96 SER N N 118.733 0.404 1 944 96 SER CA C 62.283 0.158 1 945 96 SER HA H 4.328 0.028 1 946 96 SER C C 178.899 0.066 1 947 96 SER HB2 H 4.229 0.013 1 948 97 GLU H H 8.616 0.038 1 949 97 GLU N N 123.473 0.114 1 950 97 GLU CA C 59.690 0.070 1 951 97 GLU HA H 4.373 0.015 1 952 97 GLU C C 180.623 0.077 1 953 97 GLU CB C 30.316 0.352 1 954 97 GLU HB2 H 2.104 0.045 1 955 97 GLU HB3 H 2.376 0.034 1 956 97 GLU CG C 37.244 0.219 1 957 97 GLU HG2 H 2.684 0.013 1 958 98 MET H H 8.746 0.049 1 959 98 MET N N 121.362 0.200 1 960 98 MET CA C 57.676 0.249 1 961 98 MET HA H 4.557 0.065 1 962 98 MET C C 178.638 0.098 1 963 98 MET CB C 32.552 0.096 1 964 98 MET HB2 H 2.433 0.052 1 965 98 MET HB3 H 2.570 0.052 1 966 98 MET CG C 33.092 0.000 1 967 98 MET HG2 H 3.017 0.055 1 968 99 LEU H H 9.010 0.028 1 969 99 LEU N N 121.710 0.190 1 970 99 LEU CA C 59.169 0.004 1 971 99 LEU HA H 4.260 0.020 1 972 99 LEU C C 179.646 0.096 1 973 99 LEU CB C 43.214 0.872 1 974 99 LEU HB2 H 2.029 0.055 1 975 99 LEU CD1 C 25.168 0.057 1 976 99 LEU HD1 H 1.138 0.037 1 977 99 LEU CD2 C 25.911 0.091 1 978 99 LEU HD2 H 1.116 0.008 1 979 100 ALA H H 8.208 0.024 1 980 100 ALA N N 121.670 0.245 1 981 100 ALA CA C 56.029 0.174 1 982 100 ALA HA H 4.407 0.044 1 983 100 ALA C C 181.454 0.076 1 984 100 ALA CB C 18.429 0.333 1 985 100 ALA HB H 1.832 0.060 1 986 101 LEU H H 8.147 0.026 1 987 101 LEU N N 119.998 0.127 1 988 101 LEU CA C 56.563 0.587 1 989 101 LEU HA H 4.553 0.047 1 990 101 LEU C C 181.879 0.109 1 991 101 LEU CB C 42.935 0.126 1 992 101 LEU HB2 H 1.981 0.054 1 993 101 LEU CD1 C 26.232 0.249 1 994 101 LEU HD1 H 1.378 0.025 1 995 101 LEU CD2 C 24.627 0.182 1 996 101 LEU HD2 H 1.166 0.022 1 997 101 LEU HG H 2.371 0.022 1 998 102 LEU H H 9.659 0.444 1 999 102 LEU N N 127.019 0.138 1 1000 102 LEU CA C 60.336 0.816 1 1001 102 LEU HA H 4.012 0.069 1 1002 102 LEU C C 179.056 0.026 1 1003 102 LEU CB C 42.778 0.271 1 1004 102 LEU HB2 H 1.377 0.027 1 1005 102 LEU CG C 26.374 0.120 1 1006 102 LEU CD1 C 16.764 0.029 1 1007 102 LEU HD1 H 1.214 0.001 1 1008 102 LEU CD2 C 24.610 0.200 1 1009 102 LEU HG H 1.244 0.034 1 1010 103 HIS H H 8.417 0.017 1 1011 103 HIS N N 118.781 0.200 1 1012 103 HIS CA C 61.791 0.083 1 1013 103 HIS HA H 4.301 0.028 1 1014 103 HIS C C 179.141 0.140 1 1015 103 HIS CB C 30.475 0.492 1 1016 103 HIS HB2 H 3.530 0.027 1 1017 103 HIS HB3 H 3.224 0.055 1 1018 103 HIS HD1 H 12.952 0.054 1 1019 103 HIS HD2 H 7.100 0.097 1 1020 104 ILE H H 8.302 0.021 1 1021 104 ILE N N 117.793 0.182 1 1022 104 ILE CA C 65.634 0.222 1 1023 104 ILE HA H 4.178 0.055 1 1024 104 ILE C C 180.222 0.031 1 1025 104 ILE CB C 39.276 0.147 1 1026 104 ILE HB H 2.237 0.043 1 1027 104 ILE CG2 C 17.655 0.147 1 1028 104 ILE HG2 H 1.160 0.016 1 1029 104 ILE CG1 C 18.556 0.121 1 1030 104 ILE HG12 H 1.322 0.028 1 1031 104 ILE HG13 H 1.724 0.032 1 1032 104 ILE CD1 C 14.311 0.279 1 1033 104 ILE HD1 H 1.138 0.012 1 1034 105 THR H H 8.789 0.042 1 1035 105 THR N N 120.539 0.117 1 1036 105 THR CA C 67.940 0.115 1 1037 105 THR HA H 4.223 0.027 1 1038 105 THR C C 176.461 0.063 1 1039 105 THR CB C 69.497 0.139 1 1040 105 THR HB H 4.524 0.027 1 1041 105 THR CG2 C 23.801 0.314 1 1042 105 THR HG2 H 1.643 0.054 1 1043 106 ARG H H 9.220 0.024 1 1044 106 ARG N N 125.574 0.119 1 1045 106 ARG CA C 60.507 0.348 1 1046 106 ARG HA H 4.160 0.038 1 1047 106 ARG C C 179.168 0.094 1 1048 106 ARG CB C 31.307 0.504 1 1049 106 ARG HB2 H 2.733 0.034 1 1050 106 ARG HB3 H 2.639 0.021 1 1051 106 ARG CG C 31.064 0.158 1 1052 106 ARG HG2 H 2.165 0.084 1 1053 106 ARG HG3 H 1.108 0.035 1 1054 106 ARG CD C 42.983 0.219 1 1055 106 ARG HD2 H 3.141 0.050 1 1056 106 ARG HD3 H 3.503 0.022 1 1057 107 ASP H H 8.423 0.042 1 1058 107 ASP N N 119.425 0.235 1 1059 107 ASP CA C 58.171 0.032 1 1060 107 ASP HA H 4.619 0.054 1 1061 107 ASP C C 179.746 0.041 1 1062 107 ASP CB C 40.271 0.081 1 1063 107 ASP HB2 H 2.954 0.061 1 1064 108 ALA H H 8.072 0.046 1 1065 108 ALA N N 124.189 0.113 1 1066 108 ALA CA C 55.379 0.246 1 1067 108 ALA HA H 4.457 0.025 1 1068 108 ALA C C 181.637 0.068 1 1069 108 ALA CB C 18.838 0.084 1 1070 108 ALA HB H 1.822 0.066 1 1071 109 TYR H H 8.793 0.029 1 1072 109 TYR N N 118.786 0.159 1 1073 109 TYR CA C 63.364 0.076 1 1074 109 TYR HA H 4.209 0.016 1 1075 109 TYR C C 179.613 0.077 1 1076 109 TYR CB C 39.680 0.380 1 1077 109 TYR HB2 H 3.263 0.019 1 1078 109 TYR HB3 H 3.030 0.027 1 1079 109 TYR HD1 H 7.098 0.052 1 1080 110 ARG H H 9.080 0.028 1 1081 110 ARG N N 122.451 0.199 1 1082 110 ARG CA C 59.570 0.200 1 1083 110 ARG HA H 4.391 0.054 1 1084 110 ARG C C 178.997 0.110 1 1085 110 ARG CB C 30.225 0.335 1 1086 110 ARG HB2 H 2.527 0.000 1 1087 110 ARG HB3 H 2.231 0.026 1 1088 110 ARG CG C 34.562 0.169 1 1089 110 ARG HG2 H 2.609 0.042 1 1090 110 ARG HG3 H 0.421 0.027 1 1091 110 ARG CD C 44.071 0.152 1 1092 110 ARG HD2 H 3.408 0.032 1 1093 110 ARG HD3 H 3.187 0.022 1 1094 111 SER H H 7.920 0.026 1 1095 111 SER N N 113.446 0.173 1 1096 111 SER CA C 60.267 0.067 1 1097 111 SER HA H 4.674 0.023 1 1098 111 SER C C 175.735 0.000 1 1099 111 SER CB C 63.955 0.050 1 1100 111 SER HB2 H 4.244 0.022 1 1101 112 TRP H H 7.841 0.016 1 1102 112 TRP N N 123.833 0.113 1 1103 112 TRP CA C 60.626 0.139 1 1104 112 TRP HA H 4.447 0.023 1 1105 112 TRP C C 177.271 0.035 1 1106 112 TRP CB C 29.749 0.078 1 1107 112 TRP HB2 H 3.402 0.030 1 1108 112 TRP HB3 H 3.537 0.033 1 1109 112 TRP HD1 H 7.337 0.072 1 1110 112 TRP NE1 N 129.862 0.026 1 1111 112 TRP HE1 H 10.358 0.088 1 1112 113 THR H H 7.629 0.020 1 1113 113 THR N N 113.846 0.129 1 1114 113 THR CA C 61.586 0.051 1 1115 113 THR HA H 4.339 0.061 1 1116 113 THR C C 174.392 0.953 1 1117 113 THR CB C 70.932 0.090 1 1118 113 THR HB H 4.414 0.037 1 1119 113 THR CG2 C 22.253 0.212 1 1120 113 THR HG2 H 1.492 0.036 1 1121 114 ASN H H 7.501 0.823 1 1122 114 ASN N N 126.524 0.152 1 1123 114 ASN CA C 55.431 0.082 1 1124 114 ASN HA H 4.493 0.022 1 1125 114 ASN C C 180.636 0.000 1 1126 114 ASN CB C 40.530 0.106 1 1127 114 ASN HB3 H 2.898 0.016 1 1128 114 ASN CG C 179.445 0.000 1
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