============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 6 1.000 87.961 44.593 147.953 -99.200 -91.000 PHE 13 1.000 89.434 55.259 148.228 -99.200 -91.000 TYR 17 0.840 90.568 57.934 143.290 -99.200 -91.000 TYR 59 0.840 81.621 54.844 118.813 -99.200 -91.000 HIS 64 0.900 71.917 41.642 116.897 -99.200 -91.000 TYR 94 0.840 77.778 29.355 120.618 -99.200 -91.000 PHE 110 1.000 88.666 43.604 127.689 -99.200 -91.000 TYR 114 0.840 91.974 45.210 131.160 -99.200 -91.000 TYR 117 0.840 93.345 38.934 137.170 -99.200 -91.000 PHE 123 1.000 89.350 48.668 129.477 -99.200 -91.000 TYR 139 0.840 71.010 44.641 128.941 -99.200 -91.000 TYR 150 0.840 69.786 52.472 134.008 -99.200 -91.000 PHE 165 1.000 62.287 65.575 130.224 -99.200 -91.000 PHE 166 1.000 65.019 60.211 129.214 -99.200 -91.000 TYR 170 0.840 60.439 55.266 129.590 -99.200 -91.000 PHE 176 1.000 61.869 54.878 116.608 -99.200 -91.000 TYR 204 0.840 66.381 54.346 113.672 -99.200 -91.000 PHE 212 1.000 73.506 51.952 114.403 -99.200 -91.000 TYR 223 0.840 61.946 62.285 114.422 -99.200 -91.000