============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 6 1.000 25.692 30.667 -15.660 -99.200 -91.000 PHE 19 1.000 46.076 41.933 -39.411 -99.200 -91.000 PHE 26 1.000 46.660 57.218 -41.959 -99.200 -91.000 TYR 46 0.840 29.401 36.188 -24.625 -99.200 -91.000 TYR 57 0.840 26.921 34.116 -30.343 -99.200 -91.000 HIS 62 0.900 41.848 21.533 -29.916 -99.200 -91.000 TRP 72 1.040 44.782 28.319 -33.948 -99.200 -91.000 TRP6 72 1.020 44.773 30.498 -32.998 -99.200 -91.000 TYR 82 0.840 44.333 30.977 -26.195 -99.200 -91.000 HIS 111 0.900 33.035 34.115 -37.124 -99.200 -91.000 HIS 113 0.900 36.758 33.597 -39.946 -99.200 -91.000 HIS 116 0.900 34.787 34.107 -32.805 -99.200 -91.000 TYR 122 0.840 37.035 19.519 -26.703 -99.200 -91.000 PHE 123 1.000 29.982 21.624 -27.513 -99.200 -91.000 HIS 131 0.900 24.761 31.913 -43.580 -99.200 -91.000 PHE 135 1.000 29.063 21.781 -43.318 -99.200 -91.000 TYR 141 0.840 39.615 28.908 -46.878 -99.200 -91.000 PHE 142 1.000 39.097 18.301 -43.983 -99.200 -91.000 HIS 147 0.900 47.131 23.852 -43.422 -99.200 -91.000 TYR 151 0.840 36.565 29.818 -42.597 -99.200 -91.000 TRP 159 1.040 35.392 21.681 -36.126 -99.200 -91.000 TRP6 159 1.020 34.985 23.542 -37.539 -99.200 -91.000 TRP 166 1.040 28.025 19.551 -38.590 -99.200 -91.000 TRP6 166 1.020 29.099 21.628 -38.127 -99.200 -91.000 PHE 187 1.000 23.687 39.765 -36.432 -99.200 -91.000 HIS 191 0.900 35.147 38.538 -39.240 -99.200 -91.000 PHE 208 1.000 23.927 41.551 -21.104 -99.200 -91.000 TYR 216 0.840 37.318 41.837 -35.357 -99.200 -91.000 TYR 221 0.840 27.103 49.439 -31.579 -99.200 -91.000 HIS 232 0.900 33.239 36.982 -47.962 -99.200 -91.000 TYR 237 0.840 32.060 45.532 -40.325 -99.200 -91.000 HIS 243 0.900 19.206 43.511 -38.405 -99.200 -91.000 TYR 247 0.840 17.061 42.170 -32.625 -99.200 -91.000 PHE 257 1.000 30.460 46.387 -28.936 -99.200 -91.000 HIS 259 0.900 37.663 38.503 -30.757 -99.200 -91.000 PHE 264 1.000 35.445 38.596 -21.560 -99.200 -91.000 PHE 274 1.000 23.246 33.262 -11.947 -99.200 -91.000 TYR 275 0.840 25.887 40.085 -16.577 -99.200 -91.000