============================================================================= 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 20.233-135.705 42.702 -99.200 -91.000 TYR 5 0.840 15.501-135.576 34.425 -99.200 -91.000 PHE 20 1.000 -17.562-133.250 23.994 -99.200 -91.000 TYR 33 0.840 7.762-153.467 41.119 -99.200 -91.000 TYR 39 0.840 -8.356-137.164 44.367 -99.200 -91.000 PHE 44 1.000 -3.001-129.845 38.681 -99.200 -91.000 PHE 57 1.000 11.084-135.636 38.605 -99.200 -91.000 PHE 68 1.000 -0.717-122.496 30.254 -99.200 -91.000 TRP 74 1.040 3.073-112.233 35.485 -99.200 -91.000 TRP6 74 1.020 3.566-109.986 36.047 -99.200 -91.000 TYR 75 0.840 -2.605-113.318 26.627 -99.200 -91.000 HIS 76 0.900 -6.121-113.668 32.359 -99.200 -91.000 PHE 77 1.000 -1.405-109.008 37.061 -99.200 -91.000 HIS 79 0.900 -1.103-108.754 25.968 -99.200 -91.000 HIS 95 0.900 8.584-120.025 22.041 -99.200 -91.000 TYR 98 0.840 14.007-126.231 21.650 -99.200 -91.000 PHE 102 1.000 20.557-127.708 24.423 -99.200 -91.000 PHE 103 1.000 18.147-130.366 34.774 -99.200 -91.000 TYR 105 0.840 10.155-127.662 33.021 -99.200 -91.000 TYR 106 0.840 11.795-138.737 32.200 -99.200 -91.000 HIS 108 0.900 6.235-137.954 27.038 -99.200 -91.000 TYR 123 0.840 -3.464-126.992 20.237 -99.200 -91.000 PHE 125 1.000 1.911-128.623 24.379 -99.200 -91.000 TYR 131 0.840 2.682-126.460 19.455 -99.200 -91.000 PHE 149 1.000 -11.193-148.504 23.368 -99.200 -91.000 PHE 156 1.000 -16.075-143.395 14.036 -99.200 -91.000 TYR 160 0.840 -11.777-150.257 4.906 -99.200 -91.000 TYR 173 0.840 -15.186-136.055 15.981 -99.200 -91.000 PHE 187 1.000 -7.797-143.055 32.144 -99.200 -91.000 HIS 194 0.900 1.524-149.506 33.087 -99.200 -91.000 PHE 215 1.000 -12.545-140.162 42.016 -99.200 -91.000 TYR 216 0.840 -17.181-141.676 36.253 -99.200 -91.000