============================================================================= 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 19.966-135.437 42.802 -99.200 -91.000 TYR 5 0.840 15.392-135.601 34.519 -99.200 -91.000 PHE 20 1.000 -17.341-133.068 23.308 -99.200 -91.000 TYR 33 0.840 7.333-153.649 41.609 -99.200 -91.000 TYR 39 0.840 -8.479-136.746 44.504 -99.200 -91.000 PHE 44 1.000 -2.860-129.611 38.668 -99.200 -91.000 PHE 57 1.000 11.080-135.438 38.585 -99.200 -91.000 PHE 68 1.000 -0.474-122.259 30.268 -99.200 -91.000 TRP 74 1.040 3.429-112.114 35.619 -99.200 -91.000 TRP6 74 1.020 4.020-109.896 36.177 -99.200 -91.000 TYR 75 0.840 -2.067-113.161 26.512 -99.200 -91.000 HIS 76 0.900 -5.715-112.990 31.743 -99.200 -91.000 PHE 77 1.000 -0.925-108.784 36.898 -99.200 -91.000 HIS 79 0.900 0.319-108.887 25.963 -99.200 -91.000 HIS 95 0.900 8.741-119.850 22.101 -99.200 -91.000 TYR 98 0.840 14.308-125.842 21.854 -99.200 -91.000 PHE 102 1.000 20.843-127.631 24.779 -99.200 -91.000 PHE 103 1.000 18.145-130.364 34.988 -99.200 -91.000 TYR 105 0.840 10.173-127.538 33.066 -99.200 -91.000 TYR 106 0.840 11.753-138.551 31.770 -99.200 -91.000 HIS 108 0.900 2.638-136.738 25.982 -99.200 -91.000 TYR 123 0.840 -3.072-126.713 20.158 -99.200 -91.000 PHE 125 1.000 2.202-128.265 24.289 -99.200 -91.000 TYR 131 0.840 3.055-126.111 19.369 -99.200 -91.000 PHE 149 1.000 -11.239-148.374 23.333 -99.200 -91.000 PHE 156 1.000 -16.271-144.201 13.947 -99.200 -91.000 TYR 160 0.840 -11.920-150.682 5.220 -99.200 -91.000 TYR 173 0.840 -15.418-136.268 16.629 -99.200 -91.000 PHE 187 1.000 -7.880-142.887 32.064 -99.200 -91.000 HIS 194 0.900 1.350-149.406 33.176 -99.200 -91.000 PHE 215 1.000 -12.803-139.756 41.997 -99.200 -91.000 TYR 216 0.840 -17.262-141.254 36.152 -99.200 -91.000