============================================================================= 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 20.161-135.629 42.661 -99.200 -91.000 TYR 5 0.840 15.299-135.404 34.363 -99.200 -91.000 PHE 20 1.000 -17.618-133.402 23.593 -99.200 -91.000 TYR 33 0.840 7.739-153.502 41.147 -99.200 -91.000 TYR 39 0.840 -8.460-137.207 44.356 -99.200 -91.000 PHE 44 1.000 -3.111-129.849 38.682 -99.200 -91.000 PHE 57 1.000 10.969-135.695 38.555 -99.200 -91.000 PHE 68 1.000 -0.807-122.515 30.345 -99.200 -91.000 TRP 74 1.040 2.920-112.239 35.662 -99.200 -91.000 TRP6 74 1.020 3.328-109.994 36.290 -99.200 -91.000 TYR 75 0.840 -2.744-113.285 26.782 -99.200 -91.000 HIS 76 0.900 -6.266-113.674 32.502 -99.200 -91.000 PHE 77 1.000 -1.720-109.044 37.196 -99.200 -91.000 HIS 79 0.900 -1.066-108.864 26.083 -99.200 -91.000 HIS 95 0.900 8.422-119.837 22.265 -99.200 -91.000 TYR 98 0.840 13.963-125.948 21.818 -99.200 -91.000 PHE 102 1.000 20.389-127.613 24.591 -99.200 -91.000 PHE 103 1.000 18.051-130.404 34.869 -99.200 -91.000 TYR 105 0.840 9.901-127.532 33.127 -99.200 -91.000 TYR 106 0.840 11.588-138.520 31.612 -99.200 -91.000 HIS 108 0.900 2.422-136.786 26.055 -99.200 -91.000 TYR 123 0.840 -3.403-126.953 20.236 -99.200 -91.000 PHE 125 1.000 1.863-128.430 24.398 -99.200 -91.000 TYR 131 0.840 2.601-126.171 19.462 -99.200 -91.000 PHE 149 1.000 -11.235-148.862 23.292 -99.200 -91.000 PHE 156 1.000 -16.209-144.229 13.895 -99.200 -91.000 TYR 160 0.840 -12.002-150.865 5.050 -99.200 -91.000 TYR 173 0.840 -15.639-136.365 16.686 -99.200 -91.000 PHE 187 1.000 -7.741-143.229 31.931 -99.200 -91.000 HIS 194 0.900 1.416-149.647 32.899 -99.200 -91.000 PHE 215 1.000 -12.660-140.281 41.848 -99.200 -91.000 TYR 216 0.840 -17.138-141.809 36.078 -99.200 -91.000