============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 4 0.840 37.739 45.666 21.295 -99.200 -91.000 TYR 11 0.840 41.841 58.080 23.470 -99.200 -91.000 PHE 25 1.000 25.957 67.583 30.893 -99.200 -91.000 HIS 41 0.900 17.418 56.560 17.299 -99.200 -91.000 PHE 46 1.000 29.753 48.929 9.651 -99.200 -91.000 PHE 56 1.000 33.689 54.205 12.920 -99.200 -91.000 HIS 61 0.900 31.092 65.806 10.482 -99.200 -91.000 HIS 67 0.900 21.501 62.751 7.261 -99.200 -91.000 PHE 87 1.000 37.237 64.761 30.277 -99.200 -91.000 TYR 92 0.840 33.898 66.365 19.052 -99.200 -91.000 PHE 95 1.000 32.657 63.456 25.808 -99.200 -91.000 TYR 96 0.840 29.196 62.958 19.982 -99.200 -91.000 PHE 114 1.000 34.291 53.605 25.536 -99.200 -91.000 HIS 115 0.900 37.097 46.620 24.717 -99.200 -91.000 HIS 139 0.900 13.126 49.768 7.737 -99.200 -91.000 PHE 144 1.000 18.347 47.634 14.495 -99.200 -91.000 HIS 162 0.900 12.740 52.815 20.962 -99.200 -91.000 HIS 168 0.900 10.849 64.319 22.959 -99.200 -91.000 PHE 174 1.000 5.360 57.488 15.266 -99.200 -91.000 TRP 178 1.040 8.650 53.358 23.188 -99.200 -91.000 TRP6 178 1.020 10.020 55.247 22.762 -99.200 -91.000 PHE 185 1.000 18.416 49.779 29.795 -99.200 -91.000 TYR 189 0.840 10.390 48.140 23.861 -99.200 -91.000 PHE 190 1.000 12.051 43.937 25.685 -99.200 -91.000 PHE 216 1.000 12.595 40.519 14.882 -99.200 -91.000 TYR 223 0.840 15.350 39.933 25.489 -99.200 -91.000 PHE 230 1.000 16.226 44.618 28.205 -99.200 -91.000 PHE 231 1.000 19.048 45.292 33.376 -99.200 -91.000 TYR 234 0.840 20.683 47.669 26.082 -99.200 -91.000 HIS 238 0.900 24.763 50.592 24.556 -99.200 -91.000 PHE 246 1.000 36.867 50.735 18.006 -99.200 -91.000