============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. PHE 2 1.000 -2.748 51.450 262.265 -99.200 -91.000 TYR 18 0.840 -5.388 42.996 248.394 -99.200 -91.000 HIS 52 0.900 -16.428 44.673 245.272 -99.200 -91.000 PHE 54 1.000 -13.520 49.939 242.107 -99.200 -91.000 HIS 61 0.900 -10.108 67.037 228.433 -99.200 -91.000 HIS 63 0.900 -12.146 72.203 229.695 -99.200 -91.000 PHE 64 1.000 -13.847 71.034 238.277 -99.200 -91.000 TRP 72 1.040 -19.387 79.711 231.753 -99.200 -91.000 TRP6 72 1.020 -18.232 79.127 229.776 -99.200 -91.000 PHE 75 1.000 -10.227 75.634 241.024 -99.200 -91.000 TYR 90 0.840 -9.798 69.223 240.753 -99.200 -91.000 PHE 91 1.000 -3.464 65.467 236.456 -99.200 -91.000 TYR 122 0.840 -5.534 71.971 244.550 -99.200 -91.000 PHE 124 1.000 -4.391 74.213 239.627 -99.200 -91.000 TRP 125 1.040 -4.217 69.532 231.983 -99.200 -91.000 TRP6 125 1.020 -2.776 68.203 230.675 -99.200 -91.000 HIS 135 0.900 4.501 84.771 229.329 -99.200 -91.000 HIS 140 0.900 8.936 71.739 234.244 -99.200 -91.000 PHE 147 1.000 3.800 73.601 229.581 -99.200 -91.000 PHE 150 1.000 -9.016 73.333 222.662 -99.200 -91.000 PHE 159 1.000 -6.044 77.822 225.324 -99.200 -91.000 PHE 161 1.000 -6.265 78.018 215.005 -99.200 -91.000 HIS 163 0.900 0.269 79.917 214.061 -99.200 -91.000 HIS 184 0.900 -10.453 69.850 220.392 -99.200 -91.000 TYR 209 0.840 -21.625 69.230 216.285 -99.200 -91.000 PHE 228 1.000 3.596 69.654 213.072 -99.200 -91.000 HIS 237 0.900 -3.591 62.152 227.136 -99.200 -91.000 HIS 240 0.900 -11.398 66.181 223.473 -99.200 -91.000 HIS 267 0.900 -18.408 62.802 226.535 -99.200 -91.000 TYR 268 0.840 -16.207 61.607 222.474 -99.200 -91.000 PHE 271 1.000 -25.053 59.705 226.545 -99.200 -91.000 PHE 276 1.000 -25.486 65.214 219.299 -99.200 -91.000 TYR 281 0.840 -30.073 72.538 220.588 -99.200 -91.000 TRP 299 1.040 -18.104 50.423 224.789 -99.200 -91.000 TRP6 299 1.020 -17.250 50.325 226.994 -99.200 -91.000 HIS 314 0.900 -17.875 68.853 234.746 -99.200 -91.000 PHE 328 1.000 -23.693 72.876 212.230 -99.200 -91.000 TRP 331 1.040 -19.375 77.051 224.843 -99.200 -91.000 TRP6 331 1.020 -18.894 75.356 226.422 -99.200 -91.000 TYR 349 0.840 -18.013 44.158 237.136 -99.200 -91.000 HIS 350 0.900 -22.702 45.563 237.239 -99.200 -91.000 PHE 371 1.000 -0.832 63.459 232.110 -99.200 -91.000 TYR 374 0.840 2.051 53.047 239.569 -99.200 -91.000 PHE 388 1.000 -7.742 54.457 250.769 -99.200 -91.000 TYR 397 0.840 -26.591 54.941 240.793 -99.200 -91.000 TYR 405 0.840 -23.543 66.204 245.641 -99.200 -91.000 TYR 406 0.840 -22.196 67.581 237.125 -99.200 -91.000 HIS 408 0.900 -25.040 76.817 235.893 -99.200 -91.000 TYR 413 0.840 -23.010 60.877 231.140 -99.200 -91.000 PHE 418 1.000 -25.245 56.218 235.338 -99.200 -91.000 HIS 424 0.900 -18.695 55.368 253.401 -99.200 -91.000 HIS 431 0.900 -16.216 59.289 255.395 -99.200 -91.000 TYR 433 0.840 -20.546 61.289 248.036 -99.200 -91.000 HIS 436 0.900 -29.011 58.573 251.379 -99.200 -91.000