============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 16 0.840 52.046 6.309 46.240 -99.200 -91.000 HIS 23 0.900 62.603 4.236 30.972 -99.200 -91.000 TYR 32 0.840 60.597 -0.503 37.293 -99.200 -91.000 TYR 35 0.840 55.740 5.313 50.714 -99.200 -91.000 HIS 46 0.900 62.761 -4.703 58.451 -99.200 -91.000 PHE 49 1.000 59.922 -10.539 49.960 -99.200 -91.000 TYR 51 0.840 62.718 -6.465 45.949 -99.200 -91.000 TYR 61 0.840 46.016 2.153 41.228 -99.200 -91.000 TRP 71 1.040 38.317 -9.847 41.209 -99.200 -91.000 TRP6 71 1.020 37.992 -7.766 42.261 -99.200 -91.000 TYR 80 0.840 42.241 -14.225 37.320 -99.200 -91.000 PHE 102 1.000 43.778 -4.965 49.980 -99.200 -91.000 PHE 106 1.000 51.568 1.138 51.744 -99.200 -91.000 TYR 135 0.840 31.616 16.341 38.244 -99.200 -91.000 PHE 146 1.000 33.045 7.689 48.193 -99.200 -91.000 PHE 147 1.000 32.655 10.260 43.630 -99.200 -91.000 PHE 155 1.000 30.041 12.158 48.282 -99.200 -91.000 TRP 159 1.040 27.550 6.069 39.374 -99.200 -91.000 TRP6 159 1.020 29.564 5.521 38.269 -99.200 -91.000 TYR 161 0.840 29.194 15.139 34.699 -99.200 -91.000 PHE 170 1.000 33.797 7.372 34.596 -99.200 -91.000 TYR 188 0.840 38.561 16.003 33.692 -99.200 -91.000 TYR 190 0.840 41.686 12.442 37.845 -99.200 -91.000 TYR 199 0.840 55.000 13.801 43.642 -99.200 -91.000 TYR 220 0.840 47.156 4.488 48.904 -99.200 -91.000 TRP 254 1.040 60.228 8.501 47.860 -99.200 -91.000 TRP6 254 1.020 61.314 8.846 45.792 -99.200 -91.000 TRP 255 1.040 53.305 12.879 49.004 -99.200 -91.000 TRP6 255 1.020 53.717 10.550 48.924 -99.200 -91.000 TYR 256 0.840 55.139 16.434 53.479 -99.200 -91.000