============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 2 1.000 19.811-135.422 42.915 -99.200 -91.000 TYR 5 0.840 15.246-135.584 34.640 -99.200 -91.000 PHE 20 1.000 -17.518-133.026 23.665 -99.200 -91.000 TYR 33 0.840 7.493-153.260 41.522 -99.200 -91.000 TYR 39 0.840 -8.650-136.754 44.688 -99.200 -91.000 PHE 44 1.000 -2.958-129.638 38.851 -99.200 -91.000 PHE 57 1.000 10.942-135.474 38.781 -99.200 -91.000 PHE 68 1.000 -0.638-122.239 30.470 -99.200 -91.000 TRP 74 1.040 3.329-112.088 35.873 -99.200 -91.000 TRP6 74 1.020 3.902-109.849 36.364 -99.200 -91.000 TYR 75 0.840 -2.181-113.144 26.779 -99.200 -91.000 HIS 76 0.900 -5.833-112.994 32.078 -99.200 -91.000 PHE 77 1.000 -1.066-108.781 37.131 -99.200 -91.000 HIS 79 0.900 0.160-108.912 26.228 -99.200 -91.000 HIS 95 0.900 8.611-119.779 22.323 -99.200 -91.000 TYR 98 0.840 14.093-125.831 21.983 -99.200 -91.000 PHE 102 1.000 20.668-127.623 24.860 -99.200 -91.000 PHE 103 1.000 18.019-130.272 35.110 -99.200 -91.000 TYR 105 0.840 10.019-127.504 33.192 -99.200 -91.000 TYR 106 0.840 11.640-138.518 31.925 -99.200 -91.000 HIS 108 0.900 2.385-136.719 26.229 -99.200 -91.000 TYR 123 0.840 -3.286-126.664 20.362 -99.200 -91.000 PHE 125 1.000 2.070-128.288 24.457 -99.200 -91.000 TYR 131 0.840 2.794-126.072 19.617 -99.200 -91.000 PHE 149 1.000 -11.468-148.385 23.496 -99.200 -91.000 PHE 156 1.000 -16.607-144.171 14.145 -99.200 -91.000 TYR 160 0.840 -12.362-150.558 5.424 -99.200 -91.000 TYR 173 0.840 -15.629-136.104 16.849 -99.200 -91.000 PHE 187 1.000 -7.830-142.848 32.249 -99.200 -91.000 HIS 194 0.900 1.259-149.350 33.253 -99.200 -91.000 PHE 215 1.000 -12.857-139.828 42.154 -99.200 -91.000 TYR 216 0.840 -17.429-141.263 36.422 -99.200 -91.000