============================================================================= 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 13 0.840 -44.236 -5.374 17.833 -99.200 -91.000 TYR 16 0.840 -38.745 -10.021 3.933 -99.200 -91.000 TYR 24 0.840 -28.112 -17.217 1.368 -99.200 -91.000 PHE 29 1.000 -37.622 -13.083 7.867 -99.200 -91.000 TYR 32 0.840 -39.537 -6.690 21.755 -99.200 -91.000 PHE 46 1.000 -35.728 -21.839 20.941 -99.200 -91.000 TYR 48 0.840 -34.168 -18.867 16.109 -99.200 -91.000 TYR 58 0.840 -51.001 -9.739 14.132 -99.200 -91.000 TRP 67 1.040 -59.323 -21.005 15.966 -99.200 -91.000 TRP6 67 1.020 -59.018 -18.947 17.095 -99.200 -91.000 HIS 77 0.900 -49.796 -30.237 16.672 -99.200 -91.000 TYR 90 0.840 -62.932 -17.350 27.487 -99.200 -91.000 PHE 98 1.000 -51.539 -16.756 23.421 -99.200 -91.000 PHE 102 1.000 -43.479 -10.804 23.443 -99.200 -91.000 TYR 111 0.840 -55.863 16.296 20.822 -99.200 -91.000 TYR 131 0.840 -64.283 11.082 21.326 -99.200 -91.000 PHE 142 1.000 -62.140 -1.262 25.935 -99.200 -91.000 PHE 143 1.000 -63.102 3.154 23.179 -99.200 -91.000 TYR 151 0.840 -63.367 3.371 28.812 -99.200 -91.000 TRP 155 1.040 -69.936 1.575 20.032 -99.200 -91.000 TRP6 155 1.020 -68.552 1.467 18.121 -99.200 -91.000 PHE 157 1.000 -67.814 12.273 19.060 -99.200 -91.000 TYR 182 0.840 -59.437 11.204 14.585 -99.200 -91.000 TYR 193 0.840 -42.101 2.366 15.563 -99.200 -91.000 TYR 213 0.840 -48.388 -7.115 21.611 -99.200 -91.000 TYR 223 0.840 -39.543 -26.625 22.890 -99.200 -91.000 HIS 241 0.900 -35.250 0.160 29.751 -99.200 -91.000 TRP 247 1.040 -35.641 -3.690 17.772 -99.200 -91.000 TRP6 247 1.020 -34.907 -3.528 15.534 -99.200 -91.000 TRP 248 1.040 -41.893 1.016 20.759 -99.200 -91.000 TRP6 248 1.020 -41.660 -1.300 20.311 -99.200 -91.000