============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TYR 12 0.840 -0.418 33.319 64.372 -99.200 -91.000 PHE 19 1.000 -2.089 24.430 64.566 -99.200 -91.000 PHE 32 1.000 -18.474 38.508 63.687 -99.200 -91.000 HIS 41 0.900 -17.193 38.051 73.573 -99.200 -91.000 PHE 49 1.000 -12.512 32.397 70.359 -99.200 -91.000 TYR 50 0.840 -4.347 31.150 69.605 -99.200 -91.000 HIS 52 0.900 -9.498 32.366 59.726 -99.200 -91.000 PHE 55 1.000 -15.282 33.909 61.444 -99.200 -91.000 PHE 58 1.000 -20.018 29.983 59.994 -99.200 -91.000 TYR 61 0.840 -22.279 27.054 52.915 -99.200 -91.000 TYR 62 0.840 -24.797 35.195 58.302 -99.200 -91.000 HIS 66 0.900 -25.231 28.781 49.676 -99.200 -91.000 TYR 69 0.840 -24.185 22.577 61.908 -99.200 -91.000 TYR 71 0.840 -19.955 19.750 67.787 -99.200 -91.000 HIS 82 0.900 -13.535 25.655 86.006 -99.200 -91.000 HIS 85 0.900 -15.477 23.252 84.199 -99.200 -91.000 PHE 89 1.000 -21.152 24.965 77.006 -99.200 -91.000 PHE 91 1.000 -16.670 33.713 70.681 -99.200 -91.000 TYR 94 0.840 -20.363 37.792 69.736 -99.200 -91.000 PHE 99 1.000 -21.811 34.245 62.154 -99.200 -91.000 TYR 102 0.840 -31.276 24.536 65.638 -99.200 -91.000 PHE 113 1.000 -20.086 3.921 82.170 -99.200 -91.000 TYR 121 0.840 -23.858 4.275 81.678 -99.200 -91.000 TYR 127 0.840 -21.304 13.789 88.187 -99.200 -91.000 PHE 140 1.000 -26.111 28.585 74.151 -99.200 -91.000 PHE 146 1.000 -30.918 18.010 69.234 -99.200 -91.000 PHE 148 1.000 -25.904 15.960 70.031 -99.200 -91.000 TYR 153 0.840 -28.506 12.973 67.482 -99.200 -91.000 TYR 160 0.840 -23.584 1.139 65.682 -99.200 -91.000 PHE 162 1.000 -23.168 10.638 59.519 -99.200 -91.000 PHE 179 1.000 -8.487 12.488 67.528 -99.200 -91.000 PHE 181 1.000 0.101 3.222 69.402 -99.200 -91.000 TYR 189 0.840 -10.688 8.815 76.666 -99.200 -91.000 PHE 192 1.000 -17.059 9.703 72.674 -99.200 -91.000 TYR 201 0.840 -18.569 14.920 58.993 -99.200 -91.000 TYR 204 0.840 -24.704 12.418 64.342 -99.200 -91.000 PHE 205 1.000 -26.627 17.624 64.826 -99.200 -91.000 PHE 210 1.000 -28.587 22.394 61.687 -99.200 -91.000 HIS 225 0.900 -25.411 4.800 46.603 -99.200 -91.000 PHE 231 1.000 -29.060 10.285 58.515 -99.200 -91.000 TYR 237 0.840 -35.130 19.607 52.208 -99.200 -91.000 TYR 253 0.840 -10.921 15.190 69.908 -99.200 -91.000 PHE 254 1.000 -14.366 19.288 66.661 -99.200 -91.000 HIS 266 0.900 -22.565 16.251 54.878 -99.200 -91.000 TYR 271 0.840 -11.249 24.703 66.168 -99.200 -91.000 PHE 276 1.000 -12.226 29.187 75.084 -99.200 -91.000 TYR 297 0.840 -15.165 25.625 91.175 -99.200 -91.000 TYR 312 0.840 -6.138 31.677 97.630 -99.200 -91.000 PHE 314 1.000 1.882 35.886 90.338 -99.200 -91.000 PHE 322 1.000 10.568 51.938 91.678 -99.200 -91.000 TYR 334 0.840 -10.028 35.200 85.466 -99.200 -91.000 PHE 338 1.000 -15.292 36.831 82.173 -99.200 -91.000 TYR 352 0.840 -2.365 46.666 87.873 -99.200 -91.000 HIS 377 0.900 -24.779 30.685 84.323 -99.200 -91.000 PHE 392 1.000 -32.591 25.555 75.454 -99.200 -91.000