============================================================================= 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 19.746-135.508 42.869 -99.200 -91.000 TYR 5 0.840 15.430-135.646 34.407 -99.200 -91.000 PHE 20 1.000 -17.410-132.860 23.845 -99.200 -91.000 TYR 33 0.840 7.747-152.833 41.500 -99.200 -91.000 TYR 39 0.840 -8.607-136.750 44.546 -99.200 -91.000 PHE 44 1.000 -3.133-129.712 38.936 -99.200 -91.000 PHE 57 1.000 10.928-135.701 38.793 -99.200 -91.000 PHE 68 1.000 -0.419-122.418 30.207 -99.200 -91.000 TRP 74 1.040 3.629-111.949 35.482 -99.200 -91.000 TRP6 74 1.020 4.202-109.679 35.724 -99.200 -91.000 TYR 75 0.840 -2.037-113.232 26.444 -99.200 -91.000 HIS 76 0.900 -5.738-112.941 31.764 -99.200 -91.000 PHE 77 1.000 -0.869-108.762 36.685 -99.200 -91.000 HIS 79 0.900 0.784-108.955 25.945 -99.200 -91.000 HIS 95 0.900 8.605-119.986 22.166 -99.200 -91.000 TYR 98 0.840 14.187-126.185 21.763 -99.200 -91.000 PHE 102 1.000 20.602-127.729 24.655 -99.200 -91.000 PHE 103 1.000 18.130-130.624 34.985 -99.200 -91.000 TYR 105 0.840 10.178-127.787 32.956 -99.200 -91.000 TYR 106 0.840 12.182-138.503 31.513 -99.200 -91.000 HIS 108 0.900 2.590-136.735 25.944 -99.200 -91.000 TYR 123 0.840 -3.230-126.646 20.104 -99.200 -91.000 PHE 125 1.000 2.353-128.390 24.197 -99.200 -91.000 TYR 131 0.840 2.898-126.119 19.163 -99.200 -91.000 PHE 149 1.000 -11.282-148.215 23.343 -99.200 -91.000 PHE 156 1.000 -15.866-143.536 14.504 -99.200 -91.000 TYR 160 0.840 -11.317-149.949 5.059 -99.200 -91.000 TYR 173 0.840 -15.109-134.592 16.792 -99.200 -91.000 PHE 187 1.000 -7.854-142.686 32.249 -99.200 -91.000 HIS 194 0.900 1.475-149.111 33.230 -99.200 -91.000 PHE 215 1.000 -12.698-139.534 42.049 -99.200 -91.000 TYR 216 0.840 -17.465-141.090 36.336 -99.200 -91.000