============================================================================= 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. HIS 10 0.900 89.795 -17.166 13.538 -99.200 -91.000 TYR 31 0.840 72.160 -18.503 11.062 -99.200 -91.000 TYR 36 0.840 75.005 -21.357 16.810 -99.200 -91.000 TYR 37 0.840 76.825 -18.803 24.312 -99.200 -91.000 PHE 38 1.000 81.256 -17.496 17.781 -99.200 -91.000 TRP 40 1.040 88.899 -14.396 20.092 -99.200 -91.000 TRP6 40 1.020 86.567 -14.115 19.800 -99.200 -91.000 TYR 42 0.840 95.520 -14.989 29.667 -99.200 -91.000 PHE 57 1.000 83.620 -9.999 29.380 -99.200 -91.000 PHE 66 1.000 70.001 -6.161 31.251 -99.200 -91.000 TYR 89 0.840 55.440 8.491 39.017 -99.200 -91.000 TRP 90 1.040 62.774 13.257 44.492 -99.200 -91.000 TRP6 90 1.020 64.803 13.621 43.342 -99.200 -91.000 TRP 98 1.040 63.228 19.574 38.028 -99.200 -91.000 TRP6 98 1.020 64.141 17.739 36.848 -99.200 -91.000 HIS 105 0.900 59.528 15.635 28.185 -99.200 -91.000 TYR 109 0.840 69.204 8.776 26.583 -99.200 -91.000 PHE 131 1.000 72.860 17.070 38.836 -99.200 -91.000 TYR 132 0.840 68.654 14.676 39.051 -99.200 -91.000 TRP 135 1.040 69.560 20.374 34.471 -99.200 -91.000 TRP6 135 1.020 67.384 20.144 33.632 -99.200 -91.000 TRP 139 1.040 68.843 23.002 23.871 -99.200 -91.000 TRP6 139 1.020 70.453 21.425 24.547 -99.200 -91.000 PHE 155 1.000 61.889 5.496 32.836 -99.200 -91.000 PHE 167 1.000 67.273 0.367 38.728 -99.200 -91.000 PHE 176 1.000 69.393 -8.145 36.433 -99.200 -91.000 HIS 183 0.900 75.810 -17.775 36.703 -99.200 -91.000 TRP 185 1.040 74.947 -11.306 40.435 -99.200 -91.000 TRP6 185 1.020 73.471 -11.491 42.276 -99.200 -91.000 TYR 196 0.840 83.252 -7.297 38.454 -99.200 -91.000 TRP 198 1.040 90.765 -7.782 38.269 -99.200 -91.000 TRP6 198 1.020 90.236 -6.007 39.725 -99.200 -91.000 TYR 200 0.840 93.284 -5.969 32.570 -99.200 -91.000 HIS 207 0.900 86.401 -5.277 39.045 -99.200 -91.000 TYR 218 0.840 77.596 4.613 35.904 -99.200 -91.000 TRP 230 1.040 69.203 -7.618 27.646 -99.200 -91.000 TRP6 230 1.020 67.191 -7.203 28.802 -99.200 -91.000 TYR 256 0.840 58.421 5.507 23.710 -99.200 -91.000 TRP 257 1.040 61.386 11.507 22.152 -99.200 -91.000 TRP6 257 1.020 60.220 13.549 22.117 -99.200 -91.000 TYR 263 0.840 62.674 5.873 13.425 -99.200 -91.000 TRP 268 1.040 66.484 -2.512 23.831 -99.200 -91.000 TRP6 268 1.020 68.576 -3.551 23.500 -99.200 -91.000 TRP 273 1.040 67.768 -5.587 7.878 -99.200 -91.000 TRP6 273 1.020 70.058 -5.362 8.349 -99.200 -91.000 TRP 309 1.040 71.770 -2.057 14.010 -99.200 -91.000 TRP6 309 1.020 73.061 -3.827 13.154 -99.200 -91.000 HIS 311 0.900 72.703 0.758 17.390 -99.200 -91.000 PHE 319 1.000 85.060 -4.784 32.331 -99.200 -91.000 TYR 322 0.840 76.908 -2.495 18.723 -99.200 -91.000 PHE 325 1.000 67.355 -6.653 19.720 -99.200 -91.000 TYR 341 0.840 86.271 -2.633 21.233 -99.200 -91.000 TRP 351 1.040 75.736 -3.561 8.725 -99.200 -91.000 TRP6 351 1.020 76.718 -3.860 6.627 -99.200 -91.000