NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26151 | 2kfo | 16185 | cing | 1-original | 1 | 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 1 119 GLY CA C 43.291 0.3 1 2 120 SER CA C 58.022 0.3 1 3 120 SER CB C 64.072 0.3 1 4 120 SER HA H 4.611 0.020 1 5 120 SER N N 115.780 0.3 1 6 121 VAL CA C 62.278 0.3 1 7 121 VAL CB C 32.728 0.3 1 8 121 VAL CG1 C 20.503 0.3 1 9 121 VAL CG2 C 21.131 0.3 1 10 121 VAL HA H 4.204 0.020 1 11 121 VAL HB H 2.072 0.020 1 12 121 VAL N N 122.306 0.3 1 13 122 VAL CA C 62.478 0.3 1 14 122 VAL CB C 32.579 0.3 1 15 122 VAL CG1 C 20.794 0.3 1 16 122 VAL CG2 C 21.101 0.3 1 17 122 VAL HA H 4.115 0.020 1 18 122 VAL HB H 2.047 0.020 1 19 122 VAL N N 125.136 0.3 1 20 123 GLY CA C 45.282 0.3 1 21 123 GLY N N 113.524 0.3 1 22 124 GLY CA C 45.293 0.3 1 23 124 GLY N N 108.634 0.3 1 24 125 LEU CA C 54.809 0.3 1 25 125 LEU CB C 42.427 0.3 1 26 125 LEU CG C 26.876 0.3 1 27 125 LEU CD1 C 24.661 0.3 1 28 125 LEU CD2 C 23.494 0.3 1 29 125 LEU HA H 4.390 0.020 1 30 125 LEU HB2 H 1.568 0.020 2 31 125 LEU HB3 H 1.642 0.020 2 32 125 LEU HG H 1.536 0.020 1 33 125 LEU N N 121.817 0.3 1 34 126 GLY CA C 46.228 0.3 1 35 126 GLY HA2 H 3.927 0.020 1 36 126 GLY N N 109.919 0.3 1 37 127 GLY CA C 45.066 0.3 1 38 127 GLY HA2 H 3.936 0.020 1 39 127 GLY N N 109.078 0.3 1 40 128 TYR CA C 57.989 0.3 1 41 128 TYR CB C 39.993 0.3 1 42 128 TYR CD1 C 133.277 0.3 1 43 128 TYR CE1 C 118.593 0.3 1 44 128 TYR HA H 4.493 0.020 1 45 128 TYR HB2 H 2.936 0.020 2 46 128 TYR HB3 H 2.855 0.020 2 47 128 TYR N N 117.855 0.3 1 48 129 MET CA C 53.765 0.3 1 49 129 MET CB C 34.633 0.3 1 50 129 MET CG C 31.870 0.3 1 51 129 MET CE C 17.123 0.3 1 52 129 MET HA H 4.544 0.020 1 53 129 MET HB2 H 1.604 0.020 2 54 129 MET HB3 H 1.048 0.020 2 55 129 MET N N 121.229 0.3 1 56 130 LEU CA C 53.373 0.3 1 57 130 LEU CB C 43.409 0.3 1 58 130 LEU CG C 25.967 0.3 1 59 130 LEU CD1 C 25.728 0.3 1 60 130 LEU CD2 C 21.732 0.3 1 61 130 LEU HA H 4.475 0.020 1 62 130 LEU HB2 H 1.624 0.020 2 63 130 LEU HB3 H 0.985 0.020 2 64 130 LEU HG H 1.400 0.020 1 65 130 LEU N N 121.455 0.3 1 66 131 GLY CA C 44.940 0.3 1 67 131 GLY HA2 H 4.445 0.020 1 68 131 GLY N N 115.150 0.3 1 69 132 SER CA C 58.453 0.3 1 70 132 SER CB C 63.982 0.3 1 71 132 SER HA H 4.419 0.020 1 72 132 SER HB2 H 3.913 0.020 2 73 132 SER HB3 H 3.989 0.020 2 74 132 SER N N 113.673 0.3 1 75 133 ALA CA C 52.845 0.3 1 76 133 ALA CB C 18.373 0.3 1 77 133 ALA HA H 4.435 0.020 1 78 133 ALA N N 125.535 0.3 1 79 134 MET CA C 53.902 0.3 1 80 134 MET CB C 36.614 0.3 1 81 134 MET CG C 31.543 0.3 1 82 134 MET CE C 17.861 0.3 1 83 134 MET HA H 4.752 0.020 1 84 134 MET HB2 H 2.065 0.020 2 85 134 MET HB3 H 1.992 0.020 2 86 134 MET HG2 H 2.556 0.020 2 87 134 MET HG3 H 2.466 0.020 2 88 134 MET N N 121.631 0.3 1 89 135 SER CA C 58.665 0.3 1 90 135 SER CB C 63.033 0.3 1 91 135 SER HA H 4.349 0.020 1 92 135 SER HB2 H 3.848 0.020 2 93 135 SER HB3 H 3.763 0.020 2 94 135 SER N N 116.112 0.3 1 95 136 ARG CA C 54.801 0.3 1 96 136 ARG CB C 28.768 0.3 1 97 136 ARG CG C 29.440 0.3 1 98 136 ARG CD C 43.817 0.3 1 99 136 ARG HA H 4.389 0.020 1 100 136 ARG HB2 H 1.860 0.020 2 101 136 ARG HB3 H 1.798 0.020 2 102 136 ARG HG2 H 1.699 0.020 2 103 136 ARG HG3 H 1.621 0.020 2 104 136 ARG HD2 H 3.073 0.020 2 105 136 ARG HD3 H 2.965 0.020 2 106 136 ARG HE H 6.913 0.020 1 107 136 ARG N N 126.453 0.3 1 108 136 ARG NE N 85.610 0.3 1 109 137 PRO CA C 62.271 0.3 1 110 137 PRO CB C 32.255 0.3 1 111 137 PRO CG C 27.313 0.3 1 112 137 PRO CD C 50.577 0.3 1 113 137 PRO HA H 4.439 0.020 1 114 137 PRO HB2 H 2.243 0.020 2 115 137 PRO HB3 H 1.781 0.020 2 116 137 PRO HG2 H 2.043 0.020 2 117 137 PRO HG3 H 2.024 0.020 2 118 137 PRO HD2 H 3.933 0.020 2 119 137 PRO HD3 H 3.671 0.020 2 120 138 MET CA C 53.944 0.3 1 121 138 MET CB C 30.225 0.3 1 122 138 MET CG C 31.863 0.3 1 123 138 MET CE C 16.414 0.3 1 124 138 MET HA H 4.901 0.020 1 125 138 MET HB2 H 2.026 0.020 2 126 138 MET HB3 H 2.006 0.020 2 127 138 MET HG2 H 2.699 0.020 2 128 138 MET HG3 H 2.334 0.020 2 129 138 MET N N 122.199 0.3 1 130 139 ILE CA C 59.465 0.3 1 131 139 ILE CB C 38.874 0.3 1 132 139 ILE CG1 C 26.595 0.3 1 133 139 ILE CG2 C 17.128 0.3 1 134 139 ILE CD1 C 12.433 0.3 1 135 139 ILE HA H 3.828 0.020 1 136 139 ILE HB H 0.782 0.020 1 137 139 ILE HG12 H 0.906 0.020 2 138 139 ILE HG13 H 0.736 0.020 2 139 139 ILE N N 124.729 0.3 1 140 140 HIS CA C 54.075 0.3 1 141 140 HIS CB C 29.481 0.3 1 142 140 HIS CD2 C 120.180 0.3 1 143 140 HIS CE1 C 136.719 0.3 1 144 140 HIS HA H 4.925 0.020 1 145 140 HIS HB2 H 3.309 0.020 2 146 140 HIS HB3 H 2.959 0.020 2 147 140 HIS HD2 H 7.237 0.020 1 148 140 HIS HE1 H 8.605 0.020 1 149 140 HIS N N 121.960 0.3 1 150 141 PHE CA C 59.595 0.3 1 151 141 PHE CB C 40.829 0.3 1 152 141 PHE CD1 C 132.364 0.3 1 153 141 PHE CE1 C 131.477 0.3 1 154 141 PHE CZ C 129.404 0.3 1 155 141 PHE HA H 4.274 0.020 1 156 141 PHE HB2 H 3.304 0.020 2 157 141 PHE HB3 H 2.798 0.020 2 158 141 PHE HZ H 6.769 0.020 1 159 141 PHE N N 124.650 0.3 1 160 142 GLY CA C 45.642 0.3 1 161 142 GLY HA2 H 4.140 0.020 1 162 142 GLY N N 109.150 0.3 1 163 143 ASN CA C 52.509 0.3 1 164 143 ASN CB C 41.523 0.3 1 165 143 ASN HA H 4.899 0.020 1 166 143 ASN HB2 H 2.725 0.020 2 167 143 ASN HB3 H 2.714 0.020 2 168 143 ASN HD21 H 7.612 0.020 1 169 143 ASN HD22 H 7.429 0.020 1 170 143 ASN N N 114.465 0.3 1 171 143 ASN ND2 N 115.786 0.3 1 172 144 ASP CA C 57.804 0.3 1 173 144 ASP CB C 40.996 0.3 1 174 144 ASP HA H 4.453 0.020 1 175 144 ASP N N 123.531 0.3 1 176 145 TRP CA C 61.794 0.3 1 177 145 TRP CB C 28.298 0.3 1 178 145 TRP CD1 C 127.934 0.3 1 179 145 TRP CE3 C 121.019 0.3 1 180 145 TRP CZ2 C 114.999 0.3 1 181 145 TRP CZ3 C 121.542 0.3 1 182 145 TRP CH2 C 125.176 0.3 1 183 145 TRP HA H 4.245 0.020 1 184 145 TRP HD1 H 7.352 0.020 1 185 145 TRP HE1 H 10.253 0.020 1 186 145 TRP HE3 H 7.364 0.020 1 187 145 TRP HZ2 H 7.439 0.020 1 188 145 TRP HZ3 H 6.724 0.020 1 189 145 TRP HH2 H 6.903 0.020 1 190 145 TRP N N 120.623 0.3 1 191 145 TRP NE1 N 129.596 0.3 1 192 146 GLU CA C 59.787 0.3 1 193 146 GLU CB C 29.420 0.3 1 194 146 GLU CG C 36.905 0.3 1 195 146 GLU HA H 3.462 0.020 1 196 146 GLU HB2 H 1.849 0.020 2 197 146 GLU HB3 H 1.278 0.020 2 198 146 GLU HG2 H 2.154 0.020 2 199 146 GLU HG3 H 1.606 0.020 2 200 146 GLU N N 120.314 0.3 1 201 147 ASP CA C 58.577 0.3 1 202 147 ASP CB C 40.358 0.3 1 203 147 ASP HA H 4.701 0.020 1 204 147 ASP HB2 H 2.942 0.020 2 205 147 ASP HB3 H 2.847 0.020 2 206 147 ASP N N 119.103 0.3 1 207 148 ARG CA C 59.592 0.3 1 208 148 ARG CB C 29.845 0.3 1 209 148 ARG CG C 27.688 0.3 1 210 148 ARG CD C 43.513 0.3 1 211 148 ARG HA H 3.985 0.020 1 212 148 ARG HG2 H 1.730 0.020 2 213 148 ARG HG3 H 1.495 0.020 2 214 148 ARG HD2 H 3.218 0.020 2 215 148 ARG HD3 H 3.197 0.020 2 216 148 ARG HE H 7.457 0.020 1 217 148 ARG N N 120.067 0.3 1 218 148 ARG NE N 85.201 0.3 1 219 149 TYR CA C 62.190 0.3 1 220 149 TYR CB C 38.183 0.3 1 221 149 TYR CD1 C 133.899 0.3 1 222 149 TYR CE1 C 118.319 0.3 1 223 149 TYR HA H 3.747 0.020 1 224 149 TYR HB2 H 2.682 0.020 2 225 149 TYR HB3 H 2.319 0.020 2 226 149 TYR N N 120.980 0.3 1 227 150 TYR CA C 63.110 0.3 1 228 150 TYR CB C 38.390 0.3 1 229 150 TYR CD1 C 133.821 0.3 1 230 150 TYR CE1 C 118.700 0.3 1 231 150 TYR HA H 4.094 0.020 1 232 150 TYR HB2 H 3.564 0.020 2 233 150 TYR HB3 H 3.227 0.020 2 234 150 TYR N N 120.400 0.3 1 235 151 ARG CA C 59.986 0.3 1 236 151 ARG CB C 29.799 0.3 1 237 151 ARG CG C 28.430 0.3 1 238 151 ARG CD C 43.554 0.3 1 239 151 ARG HA H 3.871 0.020 1 240 151 ARG HB2 H 2.037 0.020 2 241 151 ARG HB3 H 1.972 0.020 2 242 151 ARG HG2 H 2.007 0.020 2 243 151 ARG HG3 H 1.760 0.020 2 244 151 ARG HD2 H 3.366 0.020 2 245 151 ARG HD3 H 3.292 0.020 2 246 151 ARG HE H 7.492 0.020 1 247 151 ARG N N 117.276 0.3 1 248 151 ARG NE N 84.830 0.3 1 249 152 GLU CA C 57.626 0.3 1 250 152 GLU CB C 29.694 0.3 1 251 152 GLU CG C 35.627 0.3 1 252 152 GLU HA H 4.116 0.020 1 253 152 GLU HG2 H 2.473 0.020 2 254 152 GLU HG3 H 2.276 0.020 2 255 152 GLU N N 115.346 0.3 1 256 153 ASN CA C 54.802 0.3 1 257 153 ASN CB C 41.173 0.3 1 258 153 ASN HA H 4.520 0.020 1 259 153 ASN HB2 H 2.253 0.020 2 260 153 ASN HB3 H 2.149 0.020 2 261 153 ASN HD21 H 6.740 0.020 1 262 153 ASN HD22 H 6.538 0.020 1 263 153 ASN N N 115.321 0.3 1 264 153 ASN ND2 N 116.762 0.3 1 265 154 MET CA C 59.161 0.3 1 266 154 MET CB C 30.578 0.3 1 267 154 MET CG C 30.165 0.3 1 268 154 MET CE C 17.270 0.3 1 269 154 MET HA H 3.482 0.020 1 270 154 MET HB2 H 1.589 0.020 2 271 154 MET HB3 H 1.262 0.020 2 272 154 MET HG2 H 2.291 0.020 2 273 154 MET HG3 H 1.785 0.020 2 274 154 MET N N 118.288 0.3 1 275 155 TYR CA C 59.355 0.3 1 276 155 TYR CB C 36.182 0.3 1 277 155 TYR CD1 C 133.547 0.3 1 278 155 TYR CE1 C 118.847 0.3 1 279 155 TYR HA H 4.149 0.020 1 280 155 TYR HB2 H 3.017 0.020 2 281 155 TYR HB3 H 2.945 0.020 2 282 155 TYR N N 116.279 0.3 1 283 156 ARG CA C 56.341 0.3 1 284 156 ARG CB C 30.671 0.3 1 285 156 ARG CG C 27.385 0.3 1 286 156 ARG CD C 44.334 0.3 1 287 156 ARG HA H 4.033 0.020 1 288 156 ARG HB2 H 1.961 0.020 2 289 156 ARG HB3 H 1.330 0.020 2 290 156 ARG HG2 H 1.275 0.020 2 291 156 ARG HG3 H 0.654 0.020 2 292 156 ARG HD2 H 3.207 0.020 2 293 156 ARG HD3 H 3.084 0.020 2 294 156 ARG HE H 7.270 0.020 1 295 156 ARG HH21 H 6.429 0.020 1 296 156 ARG N N 118.511 0.3 1 297 156 ARG NE N 84.637 0.3 1 298 157 TYR CA C 52.918 0.3 1 299 157 TYR CB C 35.171 0.3 1 300 157 TYR CD1 C 131.623 0.3 1 301 157 TYR CE1 C 117.675 0.3 1 302 157 TYR HA H 5.059 0.020 1 303 157 TYR HB2 H 3.139 0.020 2 304 157 TYR HB3 H 3.101 0.020 2 305 157 TYR N N 120.419 0.3 1 306 158 PRO CA C 63.475 0.3 1 307 158 PRO CB C 32.426 0.3 1 308 158 PRO CG C 27.306 0.3 1 309 158 PRO CD C 50.133 0.3 1 310 158 PRO HA H 4.486 0.020 1 311 158 PRO HB2 H 2.462 0.020 2 312 158 PRO HB3 H 1.756 0.020 2 313 158 PRO HG2 H 1.605 0.020 2 314 158 PRO HG3 H 1.409 0.020 2 315 158 PRO HD2 H 3.475 0.020 2 316 158 PRO HD3 H 3.217 0.020 2 317 159 ASN CA C 51.687 0.3 1 318 159 ASN CB C 38.091 0.3 1 319 159 ASN HA H 4.745 0.020 1 320 159 ASN HB2 H 3.753 0.020 2 321 159 ASN HB3 H 2.401 0.020 2 322 159 ASN HD21 H 7.527 0.020 1 323 159 ASN HD22 H 6.832 0.020 1 324 159 ASN N N 115.694 0.3 1 325 159 ASN ND2 N 109.107 0.3 1 326 160 GLN CA C 54.136 0.3 1 327 160 GLN CB C 33.732 0.3 1 328 160 GLN CG C 34.168 0.3 1 329 160 GLN HA H 4.618 0.020 1 330 160 GLN HB2 H 1.984 0.020 2 331 160 GLN HB3 H 1.707 0.020 2 332 160 GLN HG2 H 2.169 0.020 2 333 160 GLN HG3 H 2.050 0.020 2 334 160 GLN HE21 H 7.930 0.020 1 335 160 GLN HE22 H 7.047 0.020 1 336 160 GLN N N 113.759 0.3 1 337 160 GLN NE2 N 112.899 0.3 1 338 161 VAL CA C 58.681 0.3 1 339 161 VAL CB C 33.978 0.3 1 340 161 VAL CG1 C 23.814 0.3 1 341 161 VAL CG2 C 18.075 0.3 1 342 161 VAL HA H 4.925 0.020 1 343 161 VAL HB H 2.606 0.020 1 344 161 VAL N N 113.036 0.3 1 345 162 TYR CA C 56.909 0.3 1 346 162 TYR CB C 41.887 0.3 1 347 162 TYR CD1 C 133.317 0.3 1 348 162 TYR CE1 C 118.739 0.3 1 349 162 TYR HA H 5.567 0.020 1 350 162 TYR HB2 H 2.631 0.020 2 351 162 TYR HB3 H 2.555 0.020 2 352 162 TYR N N 121.286 0.3 1 353 163 TYR CA C 55.865 0.3 1 354 163 TYR CB C 40.139 0.3 1 355 163 TYR CD1 C 134.338 0.3 1 356 163 TYR CE1 C 117.918 0.3 1 357 163 TYR HA H 4.857 0.020 1 358 163 TYR HB2 H 2.856 0.020 2 359 163 TYR HB3 H 2.702 0.020 2 360 163 TYR N N 111.088 0.3 1 361 164 ARG CA C 53.389 0.3 1 362 164 ARG CB C 30.018 0.3 1 363 164 ARG CG C 27.815 0.3 1 364 164 ARG CD C 43.606 0.3 1 365 164 ARG HA H 4.672 0.020 1 366 164 ARG HB2 H 1.822 0.020 2 367 164 ARG HB3 H 1.696 0.020 2 368 164 ARG HG2 H 1.161 0.020 2 369 164 ARG HG3 H 1.010 0.020 2 370 164 ARG HD2 H 2.878 0.020 2 371 164 ARG HD3 H 2.859 0.020 2 372 164 ARG HE H 6.609 0.020 1 373 164 ARG N N 120.736 0.3 1 374 164 ARG NE N 84.608 0.3 1 375 165 PRO CA C 63.896 0.3 1 376 165 PRO CB C 32.563 0.3 1 377 165 PRO CG C 28.282 0.3 1 378 165 PRO CD C 50.136 0.3 1 379 165 PRO HA H 4.580 0.020 1 380 165 PRO HB2 H 2.515 0.020 2 381 165 PRO HB3 H 2.023 0.020 2 382 165 PRO HG2 H 2.172 0.020 2 383 165 PRO HG3 H 2.035 0.020 2 384 165 PRO HD2 H 3.692 0.020 2 385 165 PRO HD3 H 3.501 0.020 2 386 166 ALA CA C 55.459 0.3 1 387 166 ALA CB C 18.784 0.3 1 388 166 ALA HA H 4.540 0.020 1 389 166 ALA N N 123.501 0.3 1 390 167 ASP CA C 54.465 0.3 1 391 167 ASP CB C 38.964 0.3 1 392 167 ASP HA H 4.521 0.020 1 393 167 ASP HB2 H 2.987 0.020 2 394 167 ASP HB3 H 2.619 0.020 2 395 167 ASP N N 114.256 0.3 1 396 168 GLN CA C 55.979 0.3 1 397 168 GLN CB C 27.517 0.3 1 398 168 GLN CG C 34.085 0.3 1 399 168 GLN HA H 4.133 0.020 1 400 168 GLN HB2 H 1.941 0.020 2 401 168 GLN HB3 H 1.808 0.020 2 402 168 GLN HG2 H 2.240 0.020 2 403 168 GLN HG3 H 2.211 0.020 2 404 168 GLN HE21 H 7.580 0.020 1 405 168 GLN HE22 H 6.834 0.020 1 406 168 GLN N N 118.024 0.3 1 407 168 GLN NE2 N 112.430 0.3 1 408 169 TYR CA C 56.934 0.3 1 409 169 TYR CB C 41.761 0.3 1 410 169 TYR CD1 C 134.276 0.3 1 411 169 TYR CE1 C 119.205 0.3 1 412 169 TYR HA H 4.911 0.020 1 413 169 TYR HB2 H 3.311 0.020 2 414 169 TYR HB3 H 3.064 0.020 2 415 169 TYR N N 117.344 0.3 1 416 170 SER CA C 58.928 0.3 1 417 170 SER CB C 63.947 0.3 1 418 170 SER HA H 4.539 0.020 1 419 170 SER HB2 H 4.059 0.020 2 420 170 SER HB3 H 3.979 0.020 2 421 170 SER N N 115.093 0.3 1 422 171 ASN CA C 52.432 0.3 1 423 171 ASN CB C 40.000 0.3 1 424 171 ASN HA H 4.752 0.020 1 425 171 ASN HB2 H 3.200 0.020 2 426 171 ASN HB3 H 3.021 0.020 2 427 171 ASN HD21 H 7.530 0.020 1 428 171 ASN HD22 H 6.725 0.020 1 429 171 ASN N N 114.623 0.3 1 430 171 ASN ND2 N 113.356 0.3 1 431 172 GLN CA C 58.819 0.3 1 432 172 GLN CB C 29.661 0.3 1 433 172 GLN CG C 33.687 0.3 1 434 172 GLN HA H 2.671 0.020 1 435 172 GLN HB2 H 1.785 0.020 2 436 172 GLN HB3 H 1.626 0.020 2 437 172 GLN HG2 H 1.886 0.020 2 438 172 GLN HG3 H 1.300 0.020 2 439 172 GLN HE21 H 7.429 0.020 1 440 172 GLN HE22 H 6.934 0.020 1 441 172 GLN N N 119.901 0.3 1 442 172 GLN NE2 N 112.411 0.3 1 443 173 ASN CA C 56.456 0.3 1 444 173 ASN CB C 37.679 0.3 1 445 173 ASN HA H 4.235 0.020 1 446 173 ASN HB2 H 2.756 0.020 2 447 173 ASN HB3 H 2.661 0.020 2 448 173 ASN HD21 H 7.624 0.020 1 449 173 ASN HD22 H 7.000 0.020 1 450 173 ASN N N 117.544 0.3 1 451 173 ASN ND2 N 112.848 0.3 1 452 174 ASN CA C 55.995 0.3 1 453 174 ASN CB C 38.089 0.3 1 454 174 ASN HA H 4.569 0.020 1 455 174 ASN HB2 H 3.200 0.020 2 456 174 ASN HB3 H 2.909 0.020 2 457 174 ASN HD21 H 7.667 0.020 1 458 174 ASN HD22 H 7.201 0.020 1 459 174 ASN N N 118.593 0.3 1 460 174 ASN ND2 N 111.908 0.3 1 461 175 PHE CA C 60.809 0.3 1 462 175 PHE CB C 38.794 0.3 1 463 175 PHE CD1 C 133.155 0.3 1 464 175 PHE CE1 C 132.579 0.3 1 465 175 PHE CZ C 129.574 0.3 1 466 175 PHE HB2 H 3.070 0.020 2 467 175 PHE HB3 H 3.051 0.020 2 468 175 PHE HZ H 6.767 0.020 1 469 175 PHE N N 121.923 0.3 1 470 176 VAL CA C 67.557 0.3 1 471 176 VAL CB C 31.904 0.3 1 472 176 VAL CG1 C 24.529 0.3 1 473 176 VAL CG2 C 21.722 0.3 1 474 176 VAL HA H 3.446 0.020 1 475 176 VAL HB H 2.223 0.020 1 476 176 VAL N N 120.437 0.3 1 477 177 HIS CA C 59.185 0.3 1 478 177 HIS CB C 28.342 0.3 1 479 177 HIS CD2 C 120.589 0.3 1 480 177 HIS CE1 C 136.719 0.3 1 481 177 HIS HA H 4.317 0.020 1 482 177 HIS HB2 H 3.393 0.020 2 483 177 HIS HB3 H 3.356 0.020 2 484 177 HIS HD2 H 7.403 0.020 1 485 177 HIS HE1 H 8.659 0.020 1 486 177 HIS N N 116.640 0.3 1 487 178 ASP CA C 57.094 0.3 1 488 178 ASP CB C 40.899 0.3 1 489 178 ASP HA H 4.605 0.020 1 490 178 ASP HB2 H 2.982 0.020 2 491 178 ASP HB3 H 2.964 0.020 2 492 178 ASP N N 118.381 0.3 1 493 179 CYS CA C 58.716 0.3 1 494 179 CYS CB C 40.781 0.3 1 495 179 CYS HA H 4.705 0.020 1 496 179 CYS HB2 H 3.235 0.020 2 497 179 CYS HB3 H 2.880 0.020 2 498 179 CYS N N 119.690 0.3 1 499 180 VAL CA C 66.138 0.3 1 500 180 VAL CB C 31.959 0.3 1 501 180 VAL CG1 C 23.649 0.3 1 502 180 VAL CG2 C 21.662 0.3 1 503 180 VAL HA H 3.665 0.020 1 504 180 VAL HB H 2.169 0.020 1 505 180 VAL N N 124.578 0.3 1 506 181 ASN CA C 56.604 0.3 1 507 181 ASN CB C 38.699 0.3 1 508 181 ASN HA H 4.339 0.020 1 509 181 ASN HB2 H 2.897 0.020 2 510 181 ASN HB3 H 2.809 0.020 2 511 181 ASN HD21 H 7.692 0.020 1 512 181 ASN HD22 H 6.812 0.020 1 513 181 ASN N N 116.528 0.3 1 514 181 ASN ND2 N 112.033 0.3 1 515 182 ILE CA C 62.340 0.3 1 516 182 ILE CB C 36.545 0.3 1 517 182 ILE CG1 C 27.548 0.3 1 518 182 ILE CG2 C 18.300 0.3 1 519 182 ILE CD1 C 11.421 0.3 1 520 182 ILE HA H 3.745 0.020 1 521 182 ILE HB H 1.584 0.020 1 522 182 ILE N N 118.906 0.3 1 523 183 THR CA C 68.804 0.3 1 524 183 THR CB C 68.242 0.3 1 525 183 THR CG2 C 22.291 0.3 1 526 183 THR HA H 4.070 0.020 1 527 183 THR HB H 4.514 0.020 1 528 183 THR HG1 H 6.385 0.020 1 529 183 THR N N 118.241 0.3 1 530 184 ILE CA C 65.495 0.3 1 531 184 ILE CB C 36.611 0.3 1 532 184 ILE CG1 C 29.592 0.3 1 533 184 ILE CG2 C 16.837 0.3 1 534 184 ILE CD1 C 12.735 0.3 1 535 184 ILE HA H 3.750 0.020 1 536 184 ILE HB H 2.127 0.020 1 537 184 ILE HG12 H 1.820 0.020 2 538 184 ILE HG13 H 1.290 0.020 2 539 184 ILE N N 120.940 0.3 1 540 185 LYS CA C 59.906 0.3 1 541 185 LYS CB C 32.183 0.3 1 542 185 LYS CG C 25.075 0.3 1 543 185 LYS CD C 29.189 0.3 1 544 185 LYS CE C 41.992 0.3 1 545 185 LYS HA H 4.078 0.020 1 546 185 LYS HG2 H 1.505 0.020 2 547 185 LYS HG3 H 1.404 0.020 2 548 185 LYS N N 122.672 0.3 1 549 186 GLN CA C 57.454 0.3 1 550 186 GLN CB C 28.202 0.3 1 551 186 GLN CG C 33.375 0.3 1 552 186 GLN HA H 4.047 0.020 1 553 186 GLN HB2 H 1.982 0.020 2 554 186 GLN HB3 H 1.874 0.020 2 555 186 GLN HG2 H 2.098 0.020 2 556 186 GLN HG3 H 1.508 0.020 2 557 186 GLN HE21 H 6.765 0.020 1 558 186 GLN HE22 H 6.748 0.020 1 559 186 GLN N N 116.197 0.3 1 560 186 GLN NE2 N 110.263 0.3 1 561 187 HIS CA C 58.347 0.3 1 562 187 HIS CB C 29.783 0.3 1 563 187 HIS CD2 C 119.651 0.3 1 564 187 HIS CE1 C 138.177 0.3 1 565 187 HIS HA H 4.625 0.020 1 566 187 HIS HB2 H 3.387 0.020 2 567 187 HIS HB3 H 3.326 0.020 2 568 187 HIS HD2 H 7.350 0.020 1 569 187 HIS HE1 H 8.277 0.020 1 570 187 HIS N N 117.465 0.3 1 571 188 THR CA C 64.604 0.3 1 572 188 THR CB C 69.372 0.3 1 573 188 THR CG2 C 21.528 0.3 1 574 188 THR HA H 4.265 0.020 1 575 188 THR HB H 4.426 0.020 1 576 188 THR N N 113.935 0.3 1 577 189 VAL CA C 64.476 0.3 1 578 189 VAL CB C 32.155 0.3 1 579 189 VAL CG1 C 21.324 0.3 1 580 189 VAL CG2 C 21.066 0.3 1 581 189 VAL HA H 4.064 0.020 1 582 189 VAL HB H 2.226 0.020 1 583 189 VAL N N 121.862 0.3 1 584 190 THR CA C 63.584 0.3 1 585 190 THR CB C 69.401 0.3 1 586 190 THR CG2 C 21.671 0.3 1 587 190 THR HA H 4.303 0.020 1 588 190 THR HB H 4.298 0.020 1 589 190 THR N N 115.351 0.3 1 590 191 THR CA C 63.437 0.3 1 591 191 THR CB C 69.212 0.3 1 592 191 THR CG2 C 21.512 0.3 1 593 191 THR HA H 4.292 0.020 1 594 191 THR HB H 4.217 0.020 1 595 191 THR N N 115.107 0.3 1 596 192 THR CA C 63.536 0.3 1 597 192 THR CB C 69.385 0.3 1 598 192 THR CG2 C 21.563 0.3 1 599 192 THR HA H 4.410 0.020 1 600 192 THR HB H 4.387 0.020 1 601 192 THR N N 116.247 0.3 1 602 193 THR CA C 63.397 0.3 1 603 193 THR CB C 69.310 0.3 1 604 193 THR CG2 C 21.711 0.3 1 605 193 THR HA H 4.282 0.020 1 606 193 THR HB H 4.294 0.020 1 607 193 THR N N 116.195 0.3 1 608 194 LYS CA C 56.634 0.3 1 609 194 LYS CB C 32.514 0.3 1 610 194 LYS CG C 24.822 0.3 1 611 194 LYS CD C 29.122 0.3 1 612 194 LYS CE C 42.073 0.3 1 613 194 LYS HA H 4.342 0.020 1 614 194 LYS HB2 H 1.941 0.020 2 615 194 LYS HB3 H 1.830 0.020 2 616 194 LYS HG2 H 1.512 0.020 2 617 194 LYS HG3 H 1.453 0.020 2 618 194 LYS N N 121.697 0.3 1 619 195 GLY CA C 45.452 0.3 1 620 195 GLY HA2 H 4.054 0.020 1 621 195 GLY N N 109.391 0.3 1 622 196 GLU CA C 55.760 0.3 1 623 196 GLU CB C 30.347 0.3 1 624 196 GLU CG C 35.254 0.3 1 625 196 GLU HA H 4.277 0.020 1 626 196 GLU HG2 H 2.181 0.020 2 627 196 GLU HG3 H 2.169 0.020 2 628 196 GLU N N 120.005 0.3 1 629 197 ASN CA C 52.972 0.3 1 630 197 ASN CB C 39.686 0.3 1 631 197 ASN HA H 4.681 0.020 1 632 197 ASN HB2 H 2.753 0.020 2 633 197 ASN HB3 H 2.664 0.020 2 634 197 ASN HD21 H 7.592 0.020 1 635 197 ASN HD22 H 6.887 0.020 1 636 197 ASN N N 120.031 0.3 1 637 197 ASN ND2 N 113.155 0.3 1 638 198 PHE CA C 56.809 0.3 1 639 198 PHE CB C 39.901 0.3 1 640 198 PHE CD1 C 131.826 0.3 1 641 198 PHE CE1 C 130.278 0.3 1 642 198 PHE HA H 5.264 0.020 1 643 198 PHE HB2 H 3.211 0.020 2 644 198 PHE HB3 H 3.031 0.020 2 645 198 PHE N N 122.119 0.3 1 646 199 THR CA C 60.670 0.3 1 647 199 THR CB C 72.105 0.3 1 648 199 THR CG2 C 21.727 0.3 1 649 199 THR HA H 4.640 0.020 1 650 199 THR HB H 4.860 0.020 1 651 199 THR N N 116.408 0.3 1 652 200 GLU CA C 59.717 0.3 1 653 200 GLU CB C 28.629 0.3 1 654 200 GLU CG C 35.333 0.3 1 655 200 GLU HA H 4.121 0.020 1 656 200 GLU HB2 H 2.163 0.020 2 657 200 GLU HB3 H 2.097 0.020 2 658 200 GLU HG2 H 2.463 0.020 2 659 200 GLU HG3 H 2.408 0.020 2 660 200 GLU N N 119.941 0.3 1 661 201 THR CA C 66.849 0.3 1 662 201 THR CB C 68.658 0.3 1 663 201 THR CG2 C 21.378 0.3 1 664 201 THR HA H 3.834 0.020 1 665 201 THR HB H 3.791 0.020 1 666 201 THR N N 116.450 0.3 1 667 202 ASP CA C 57.963 0.3 1 668 202 ASP CB C 41.288 0.3 1 669 202 ASP HA H 4.573 0.020 1 670 202 ASP HB2 H 3.260 0.020 2 671 202 ASP HB3 H 2.500 0.020 2 672 202 ASP N N 120.246 0.3 1 673 203 VAL CA C 67.642 0.3 1 674 203 VAL CB C 31.566 0.3 1 675 203 VAL CG1 C 22.782 0.3 1 676 203 VAL CG2 C 21.114 0.3 1 677 203 VAL HA H 3.381 0.020 1 678 203 VAL HB H 2.164 0.020 1 679 203 VAL N N 119.815 0.3 1 680 204 LYS CA C 59.349 0.3 1 681 204 LYS CB C 32.057 0.3 1 682 204 LYS CG C 25.153 0.3 1 683 204 LYS CD C 29.264 0.3 1 684 204 LYS CE C 41.998 0.3 1 685 204 LYS HA H 4.087 0.020 1 686 204 LYS HB2 H 2.006 0.020 2 687 204 LYS HB3 H 1.952 0.020 2 688 204 LYS HG2 H 1.644 0.020 2 689 204 LYS HG3 H 1.486 0.020 2 690 204 LYS N N 119.299 0.3 1 691 205 MET CA C 59.774 0.3 1 692 205 MET CB C 32.779 0.3 1 693 205 MET CG C 33.958 0.3 1 694 205 MET CE C 18.133 0.3 1 695 205 MET HA H 4.156 0.020 1 696 205 MET HB2 H 2.323 0.020 2 697 205 MET HB3 H 1.916 0.020 2 698 205 MET HG2 H 3.030 0.020 2 699 205 MET HG3 H 2.357 0.020 2 700 205 MET N N 118.804 0.3 1 701 206 MET CA C 59.578 0.3 1 702 206 MET CB C 33.152 0.3 1 703 206 MET CG C 32.533 0.3 1 704 206 MET CE C 16.289 0.3 1 705 206 MET HA H 3.559 0.020 1 706 206 MET HB2 H 1.912 0.020 2 707 206 MET HB3 H 1.812 0.020 2 708 206 MET HG2 H 2.033 0.020 2 709 206 MET HG3 H 1.891 0.020 2 710 206 MET N N 118.390 0.3 1 711 207 GLU CA C 60.500 0.3 1 712 207 GLU CB C 27.981 0.3 1 713 207 GLU CG C 34.935 0.3 1 714 207 GLU HA H 3.702 0.020 1 715 207 GLU HB2 H 2.237 0.020 2 716 207 GLU HB3 H 2.107 0.020 2 717 207 GLU HG2 H 2.582 0.020 2 718 207 GLU HG3 H 2.257 0.020 2 719 207 GLU N N 118.252 0.3 1 720 208 ARG CA C 58.356 0.3 1 721 208 ARG CB C 29.758 0.3 1 722 208 ARG CG C 26.827 0.3 1 723 208 ARG CD C 42.401 0.3 1 724 208 ARG HA H 4.171 0.020 1 725 208 ARG HB2 H 2.093 0.020 2 726 208 ARG HB3 H 1.924 0.020 2 727 208 ARG HG2 H 1.804 0.020 2 728 208 ARG HG3 H 1.759 0.020 2 729 208 ARG HD2 H 3.230 0.020 2 730 208 ARG HD3 H 3.146 0.020 2 731 208 ARG HE H 7.315 0.020 1 732 208 ARG N N 117.118 0.3 1 733 208 ARG NE N 83.222 0.3 1 734 209 VAL CA C 66.072 0.3 1 735 209 VAL CB C 32.346 0.3 1 736 209 VAL CG1 C 24.145 0.3 1 737 209 VAL CG2 C 21.055 0.3 1 738 209 VAL HA H 3.725 0.020 1 739 209 VAL HB H 2.323 0.020 1 740 209 VAL N N 119.460 0.3 1 741 210 VAL CA C 66.557 0.3 1 742 210 VAL CB C 31.311 0.3 1 743 210 VAL CG1 C 24.491 0.3 1 744 210 VAL CG2 C 24.083 0.3 1 745 210 VAL HA H 3.634 0.020 1 746 210 VAL HB H 2.263 0.020 1 747 210 VAL N N 120.469 0.3 1 748 211 GLU CA C 61.036 0.3 1 749 211 GLU CB C 28.541 0.3 1 750 211 GLU CG C 35.291 0.3 1 751 211 GLU HA H 3.604 0.020 1 752 211 GLU HB2 H 2.238 0.020 2 753 211 GLU HB3 H 2.141 0.020 2 754 211 GLU HG2 H 2.276 0.020 2 755 211 GLU HG3 H 2.197 0.020 2 756 211 GLU N N 120.378 0.3 1 757 212 GLN CA C 59.111 0.3 1 758 212 GLN CB C 27.917 0.3 1 759 212 GLN CG C 33.983 0.3 1 760 212 GLN HA H 3.994 0.020 1 761 212 GLN HB2 H 2.164 0.020 2 762 212 GLN HB3 H 2.140 0.020 2 763 212 GLN HG2 H 2.472 0.020 2 764 212 GLN HG3 H 2.409 0.020 2 765 212 GLN HE21 H 7.433 0.020 1 766 212 GLN HE22 H 6.821 0.020 1 767 212 GLN N N 115.598 0.3 1 768 212 GLN NE2 N 111.848 0.3 1 769 213 MET CA C 59.953 0.3 1 770 213 MET CB C 34.377 0.3 1 771 213 MET CG C 32.658 0.3 1 772 213 MET CE C 17.014 0.3 1 773 213 MET HA H 4.156 0.020 1 774 213 MET HB2 H 2.229 0.020 2 775 213 MET HB3 H 2.051 0.020 2 776 213 MET HG2 H 2.863 0.020 2 777 213 MET HG3 H 2.498 0.020 2 778 213 MET N N 119.411 0.3 1 779 214 CYS CA C 59.914 0.3 1 780 214 CYS CB C 41.747 0.3 1 781 214 CYS HA H 4.424 0.020 1 782 214 CYS HB2 H 3.555 0.020 2 783 214 CYS HB3 H 2.881 0.020 2 784 214 CYS N N 119.255 0.3 1 785 215 VAL CA C 67.689 0.3 1 786 215 VAL CB C 31.486 0.3 1 787 215 VAL CG1 C 23.767 0.3 1 788 215 VAL CG2 C 21.207 0.3 1 789 215 VAL HA H 3.441 0.020 1 790 215 VAL HB H 2.316 0.020 1 791 215 VAL N N 123.297 0.3 1 792 216 THR CA C 66.949 0.3 1 793 216 THR CB C 68.296 0.3 1 794 216 THR CG2 C 22.299 0.3 1 795 216 THR HA H 3.879 0.020 1 796 216 THR HB H 4.309 0.020 1 797 216 THR N N 117.808 0.3 1 798 217 GLN CA C 58.516 0.3 1 799 217 GLN CB C 28.194 0.3 1 800 217 GLN CG C 32.451 0.3 1 801 217 GLN HA H 3.639 0.020 1 802 217 GLN HB2 H 2.312 0.020 2 803 217 GLN HB3 H 2.103 0.020 2 804 217 GLN HG2 H 1.649 0.020 2 805 217 GLN HG3 H 1.631 0.020 2 806 217 GLN HE21 H 7.176 0.020 1 807 217 GLN HE22 H 6.762 0.020 1 808 217 GLN N N 122.213 0.3 1 809 217 GLN NE2 N 114.619 0.3 1 810 218 TYR CA C 62.196 0.3 1 811 218 TYR CB C 37.177 0.3 1 812 218 TYR CD1 C 132.984 0.3 1 813 218 TYR CE1 C 117.912 0.3 1 814 218 TYR HA H 2.951 0.020 1 815 218 TYR HB2 H 2.944 0.020 2 816 218 TYR HB3 H 2.667 0.020 2 817 218 TYR N N 120.135 0.3 1 818 219 GLN CA C 58.680 0.3 1 819 219 GLN CB C 27.479 0.3 1 820 219 GLN CG C 33.861 0.3 1 821 219 GLN HA H 3.725 0.020 1 822 219 GLN HB2 H 2.273 0.020 2 823 219 GLN HB3 H 2.055 0.020 2 824 219 GLN HG2 H 2.690 0.020 2 825 219 GLN HG3 H 2.436 0.020 2 826 219 GLN HE21 H 7.463 0.020 1 827 219 GLN HE22 H 6.820 0.020 1 828 219 GLN N N 118.754 0.3 1 829 219 GLN NE2 N 111.056 0.3 1 830 220 LYS CA C 58.960 0.3 1 831 220 LYS CB C 32.341 0.3 1 832 220 LYS CG C 25.025 0.3 1 833 220 LYS CD C 29.390 0.3 1 834 220 LYS CE C 41.921 0.3 1 835 220 LYS HA H 3.994 0.020 1 836 220 LYS HB2 H 1.873 0.020 2 837 220 LYS HB3 H 1.828 0.020 2 838 220 LYS HG2 H 1.532 0.020 2 839 220 LYS HG3 H 1.360 0.020 2 840 220 LYS N N 118.918 0.3 1 841 221 GLU CA C 57.251 0.3 1 842 221 GLU CB C 29.521 0.3 1 843 221 GLU CG C 35.582 0.3 1 844 221 GLU HA H 4.091 0.020 1 845 221 GLU HB2 H 2.164 0.020 2 846 221 GLU HB3 H 1.645 0.020 2 847 221 GLU HG2 H 2.465 0.020 2 848 221 GLU HG3 H 2.202 0.020 2 849 221 GLU N N 117.579 0.3 1 850 222 SER CA C 59.847 0.3 1 851 222 SER CB C 63.033 0.3 1 852 222 SER HA H 4.052 0.020 1 853 222 SER HB2 H 3.606 0.020 2 854 222 SER HB3 H 3.347 0.020 2 855 222 SER N N 114.200 0.3 1 856 223 GLN CA C 56.959 0.3 1 857 223 GLN CB C 28.649 0.3 1 858 223 GLN CG C 33.762 0.3 1 859 223 GLN HA H 4.156 0.020 1 860 223 GLN HB2 H 2.099 0.020 2 861 223 GLN HB3 H 2.057 0.020 2 862 223 GLN HG2 H 2.424 0.020 2 863 223 GLN HG3 H 2.374 0.020 2 864 223 GLN HE21 H 7.572 0.020 1 865 223 GLN HE22 H 6.833 0.020 1 866 223 GLN N N 120.823 0.3 1 867 223 GLN NE2 N 112.560 0.3 1 868 224 ALA CA C 53.372 0.3 1 869 224 ALA CB C 18.636 0.3 1 870 224 ALA HA H 4.211 0.020 1 871 224 ALA N N 122.214 0.3 1 872 225 TYR CA C 58.663 0.3 1 873 225 TYR CB C 38.593 0.3 1 874 225 TYR CD1 C 133.487 0.3 1 875 225 TYR CE1 C 118.444 0.3 1 876 225 TYR HA H 4.414 0.020 1 877 225 TYR N N 118.496 0.3 1 878 226 TYR CA C 58.762 0.3 1 879 226 TYR CB C 38.614 0.3 1 880 226 TYR CD1 C 133.646 0.3 1 881 226 TYR CE1 C 118.525 0.3 1 882 226 TYR HA H 4.401 0.020 1 883 226 TYR HB2 H 3.067 0.020 2 884 226 TYR HB3 H 2.964 0.020 2 885 226 TYR N N 121.138 0.3 1 886 227 ASP CA C 54.315 0.3 1 887 227 ASP CB C 40.285 0.3 1 888 227 ASP HA H 4.520 0.020 1 889 227 ASP N N 121.687 0.3 1 890 228 GLY CA C 45.546 0.3 1 891 228 GLY HA2 H 3.933 0.020 1 892 228 GLY N N 108.271 0.3 1 893 229 ARG CA C 56.173 0.3 1 894 229 ARG CB C 30.648 0.3 1 895 229 ARG CG C 26.957 0.3 1 896 229 ARG CD C 43.316 0.3 1 897 229 ARG HA H 4.330 0.020 1 898 229 ARG HB2 H 1.855 0.020 2 899 229 ARG HB3 H 1.759 0.020 2 900 229 ARG HE H 7.297 0.020 1 901 229 ARG N N 120.090 0.3 1 902 229 ARG NE N 84.700 0.3 1 903 230 ARG CA C 55.981 0.3 1 904 230 ARG CB C 30.980 0.3 1 905 230 ARG CG C 27.062 0.3 1 906 230 ARG CD C 43.274 0.3 1 907 230 ARG HA H 4.412 0.020 1 908 230 ARG HB2 H 1.903 0.020 2 909 230 ARG HB3 H 1.783 0.020 2 910 230 ARG HG2 H 1.649 0.020 2 911 230 ARG HG3 H 1.629 0.020 2 912 230 ARG HE H 7.218 0.020 1 913 230 ARG N N 122.184 0.3 1 914 230 ARG NE N 84.697 0.3 1 915 231 SER CA C 58.305 0.3 1 916 231 SER CB C 63.993 0.3 1 917 231 SER HA H 4.520 0.020 1 918 231 SER HB2 H 3.929 0.020 2 919 231 SER HB3 H 3.891 0.020 2 920 231 SER N N 117.680 0.3 1 921 232 SER CA C 59.904 0.3 1 922 232 SER CB C 64.669 0.3 1 923 232 SER HA H 4.303 0.020 1 924 232 SER N N 122.709 0.3 1 stop_
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