============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 9 1.000 14.671 -0.270 104.738 -99.200 -91.000 TYR 10 0.840 8.439 -5.546 102.092 -99.200 -91.000 TYR 14 0.840 9.575 -15.838 106.974 -99.200 -91.000 TYR 15 0.840 16.564 -12.198 111.413 -99.200 -91.000 PHE 32 1.000 30.004 -16.406 106.375 -99.200 -91.000 HIS 92 0.900 0.520 3.503 86.012 -99.200 -91.000 PHE 100 1.000 -3.989 10.524 79.963 -99.200 -91.000 PHE 104 1.000 11.636 4.520 81.434 -99.200 -91.000 TYR 111 0.840 24.973 3.738 86.406 -99.200 -91.000 TYR 123 0.840 9.088 13.735 82.863 -99.200 -91.000 TYR 142 0.840 26.230 -13.359 94.505 -99.200 -91.000 HIS 163 0.900 10.590 21.328 89.762 -99.200 -91.000 TYR 177 0.840 36.317 4.990 84.130 -99.200 -91.000 TYR 182 0.840 32.201 -9.816 79.862 -99.200 -91.000 PHE 184 1.000 26.900 -9.857 89.496 -99.200 -91.000 TRP 185 1.040 29.327 -12.776 82.424 -99.200 -91.000 TRP6 185 1.020 31.285 -13.364 83.621 -99.200 -91.000 HIS 190 0.900 24.788 -18.999 82.784 -99.200 -91.000 TYR 192 0.840 21.517 -19.995 91.642 -99.200 -91.000 TYR 204 0.840 32.636 -0.938 95.002 -99.200 -91.000 PHE 208 1.000 35.300 6.007 95.704 -99.200 -91.000 TRP 212 1.040 37.774 11.599 94.521 -99.200 -91.000 TRP6 212 1.020 36.372 13.362 95.259 -99.200 -91.000 TYR 215 0.840 32.079 15.623 92.166 -99.200 -91.000 PHE 226 1.000 31.779 15.679 98.282 -99.200 -91.000 PHE 231 1.000 32.021 5.285 99.355 -99.200 -91.000 HIS 232 0.900 26.824 -1.814 95.057 -99.200 -91.000 PHE 235 1.000 31.925 -7.454 100.200 -99.200 -91.000 TYR 262 0.840 31.559 2.226 104.647 -99.200 -91.000 TYR 268 0.840 18.504 1.802 108.843 -99.200 -91.000 TYR 271 0.840 21.769 -4.930 111.902 -99.200 -91.000 TYR 276 0.840 22.318 -8.419 92.753 -99.200 -91.000 TYR 281 0.840 20.185 5.451 94.995 -99.200 -91.000 PHE 302 1.000 31.612 4.531 92.648 -99.200 -91.000 TYR 304 0.840 31.281 -1.402 90.136 -99.200 -91.000 PHE 312 1.000 31.825 11.423 94.332 -99.200 -91.000 TYR 313 0.840 24.314 10.862 92.755 -99.200 -91.000 TYR 321 0.840 18.187 15.695 107.165 -99.200 -91.000 HIS 324 0.900 9.596 16.823 105.503 -99.200 -91.000 HIS 330 0.900 12.694 3.936 106.766 -99.200 -91.000 TYR 345 0.840 19.816 -19.550 103.045 -99.200 -91.000 PHE 348 1.000 11.016 -19.666 103.965 -99.200 -91.000 PHE 349 1.000 19.070 -19.709 97.034 -99.200 -91.000 PHE 352 1.000 12.475 -15.820 95.093 -99.200 -91.000 PHE 357 1.000 2.783 -19.004 93.860 -99.200 -91.000 HIS 365 0.900 -4.608 -15.416 108.937 -99.200 -91.000 HIS 369 0.900 -3.111 -4.540 107.816 -99.200 -91.000 PHE 371 1.000 0.287 -3.395 96.763 -99.200 -91.000 TYR 372 0.840 -0.114 -12.345 99.854 -99.200 -91.000 TYR 383 0.840 2.140 -9.384 91.658 -99.200 -91.000 HIS 384 0.900 -3.170 -9.540 100.182 -99.200 -91.000