============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. HIS 3 0.900 -53.436 42.373 50.337 -99.200 -91.000 PHE 11 1.000 -65.675 35.644 34.512 -99.200 -91.000 TYR 15 0.840 -67.438 38.223 40.910 -99.200 -91.000 HIS 17 0.900 -58.415 44.289 39.669 -99.200 -91.000 PHE 31 1.000 -57.268 60.456 35.756 -99.200 -91.000 TRP 62 1.040 -50.991 38.648 24.840 -99.200 -91.000 TRP6 62 1.020 -51.381 40.650 23.637 -99.200 -91.000 TYR 65 0.840 -51.804 38.116 30.521 -99.200 -91.000 TYR 66 0.840 -61.490 39.847 25.845 -99.200 -91.000 PHE 92 1.000 -58.202 54.046 23.600 -99.200 -91.000 TYR 94 0.840 -49.839 60.175 28.131 -99.200 -91.000 TYR 102 0.840 -30.851 46.294 40.084 -99.200 -91.000 TRP 115 1.040 -47.805 56.066 39.286 -99.200 -91.000 TRP6 115 1.020 -47.278 55.721 37.002 -99.200 -91.000 PHE 117 1.000 -51.270 59.600 35.304 -99.200 -91.000 PHE 118 1.000 -52.815 64.190 34.801 -99.200 -91.000 PHE 140 1.000 -50.655 43.909 39.939 -99.200 -91.000 PHE 152 1.000 -42.092 41.791 46.166 -99.200 -91.000 TYR 161 0.840 -45.621 52.026 32.553 -99.200 -91.000 HIS 165 0.900 -44.118 61.700 27.509 -99.200 -91.000 HIS 177 0.900 -50.473 50.090 32.067 -99.200 -91.000 TYR 193 0.840 -34.606 41.216 26.117 -99.200 -91.000 PHE 207 1.000 -36.996 52.325 31.825 -99.200 -91.000 HIS 214 0.900 -27.210 37.031 38.312 -99.200 -91.000 PHE 217 1.000 -35.509 43.530 31.003 -99.200 -91.000 PHE 221 1.000 -42.208 49.705 25.854 -99.200 -91.000 HIS 239 0.900 -35.785 55.716 31.419 -99.200 -91.000 HIS 242 0.900 -34.366 62.306 29.906 -99.200 -91.000 HIS 247 0.900 -35.057 54.620 21.527 -99.200 -91.000 TRP 261 1.040 -32.857 65.779 29.262 -99.200 -91.000 TRP6 261 1.020 -35.028 65.827 28.317 -99.200 -91.000 HIS 264 0.900 -30.270 60.228 33.897 -99.200 -91.000 PHE 269 1.000 -24.756 65.735 43.929 -99.200 -91.000 PHE 274 1.000 -27.413 54.178 48.222 -99.200 -91.000 PHE 281 1.000 -32.711 52.523 46.692 -99.200 -91.000 TRP 285 1.040 -36.397 56.126 46.393 -99.200 -91.000 TRP6 285 1.020 -36.314 56.146 44.031 -99.200 -91.000 TYR 291 0.840 -42.206 71.861 46.419 -99.200 -91.000 PHE 293 1.000 -41.543 72.377 37.647 -99.200 -91.000 TYR 299 0.840 -52.130 70.862 41.686 -99.200 -91.000 PHE 310 1.000 -46.926 53.364 43.520 -99.200 -91.000 TYR 314 0.840 -39.930 46.471 43.565 -99.200 -91.000 HIS 316 0.900 -34.353 43.244 43.805 -99.200 -91.000 PHE 335 1.000 -48.822 48.990 51.559 -99.200 -91.000 PHE 339 1.000 -44.134 37.429 47.117 -99.200 -91.000