============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 36 0.840 -20.846 49.666 95.748 -99.200 -91.000 PHE 39 1.000 -26.470 50.607 94.251 -99.200 -91.000 TYR 40 0.840 -21.202 53.821 99.619 -99.200 -91.000 PHE 41 1.000 -19.672 58.704 97.527 -99.200 -91.000 HIS 48 0.900 -24.160 66.227 99.550 -99.200 -91.000 PHE 56 1.000 -16.784 53.701 97.551 -99.200 -91.000 TYR 69 0.840 -21.843 37.453 92.548 -99.200 -91.000 TYR 71 0.840 -30.753 40.629 102.369 -99.200 -91.000 TYR 86 0.840 -19.632 57.002 109.723 -99.200 -91.000 TRP 117 1.040 -19.398 13.336 102.389 -99.200 -91.000 TRP6 117 1.020 -21.030 13.261 104.094 -99.200 -91.000 HIS 126 0.900 -18.622 16.131 115.723 -99.200 -91.000 TYR 142 0.840 -33.556 25.593 116.190 -99.200 -91.000 TYR 153 0.840 -28.731 11.835 116.228 -99.200 -91.000 TYR 157 0.840 -18.462 21.877 118.017 -99.200 -91.000 TYR 160 0.840 -24.281 33.863 116.133 -99.200 -91.000 PHE 164 1.000 -9.733 35.859 113.941 -99.200 -91.000 PHE 197 1.000 -24.747 50.208 101.998 -99.200 -91.000 HIS 204 0.900 -15.851 59.044 111.305 -99.200 -91.000 PHE 214 1.000 -15.162 44.284 104.905 -99.200 -91.000 PHE 236 1.000 -6.876 21.621 98.853 -99.200 -91.000 TRP 240 1.040 1.784 22.763 113.379 -99.200 -91.000 TRP6 240 1.020 1.896 25.089 112.950 -99.200 -91.000 HIS 256 0.900 -15.593 48.990 118.798 -99.200 -91.000 PHE 264 1.000 -12.843 47.661 108.208 -99.200 -91.000 HIS 265 0.900 -14.303 51.848 114.757 -99.200 -91.000 PHE 286 1.000 4.663 25.348 105.290 -99.200 -91.000 TYR 294 0.840 8.855 30.178 103.696 -99.200 -91.000 PHE 298 1.000 -1.527 23.354 98.629 -99.200 -91.000 TRP 299 1.040 2.208 30.822 99.367 -99.200 -91.000 TRP6 299 1.020 2.275 32.357 101.162 -99.200 -91.000 HIS 302 0.900 -9.668 37.484 104.571 -99.200 -91.000 TYR 333 0.840 -17.018 34.463 93.900 -99.200 -91.000 PHE 343 1.000 -17.163 31.787 97.964 -99.200 -91.000 TRP 366 1.040 4.322 18.854 102.460 -99.200 -91.000 TRP6 366 1.020 3.001 18.302 104.348 -99.200 -91.000 PHE 370 1.000 0.039 32.232 106.344 -99.200 -91.000 PHE 372 1.000 -3.199 37.262 106.418 -99.200 -91.000