============================================================================= 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 20.142-135.386 42.712 -99.200 -91.000 TYR 5 0.840 15.627-135.494 34.379 -99.200 -91.000 PHE 20 1.000 -17.075-133.069 23.234 -99.200 -91.000 TYR 33 0.840 7.817-153.083 41.220 -99.200 -91.000 TYR 39 0.840 -8.345-136.661 44.313 -99.200 -91.000 PHE 44 1.000 -2.642-129.597 38.476 -99.200 -91.000 PHE 57 1.000 11.269-135.404 38.534 -99.200 -91.000 PHE 68 1.000 -0.313-122.186 30.177 -99.200 -91.000 TRP 74 1.040 3.606-112.120 35.517 -99.200 -91.000 TRP6 74 1.020 4.158-109.890 36.068 -99.200 -91.000 TYR 75 0.840 -1.809-113.124 26.365 -99.200 -91.000 HIS 76 0.900 -5.471-113.018 31.562 -99.200 -91.000 PHE 77 1.000 -0.785-108.737 36.780 -99.200 -91.000 HIS 79 0.900 0.536-108.939 25.854 -99.200 -91.000 HIS 95 0.900 9.043-119.767 22.023 -99.200 -91.000 TYR 98 0.840 14.508-125.811 21.751 -99.200 -91.000 PHE 102 1.000 21.001-127.604 24.642 -99.200 -91.000 PHE 103 1.000 18.332-130.261 34.872 -99.200 -91.000 TYR 105 0.840 10.391-127.446 32.967 -99.200 -91.000 TYR 106 0.840 11.922-138.505 31.732 -99.200 -91.000 HIS 108 0.900 2.905-136.987 25.844 -99.200 -91.000 TYR 123 0.840 -2.818-126.709 20.062 -99.200 -91.000 PHE 125 1.000 2.475-128.289 24.159 -99.200 -91.000 TYR 131 0.840 3.288-126.123 19.281 -99.200 -91.000 PHE 149 1.000 -10.985-148.396 23.180 -99.200 -91.000 PHE 156 1.000 -16.048-144.082 13.825 -99.200 -91.000 TYR 160 0.840 -11.780-150.592 5.178 -99.200 -91.000 TYR 173 0.840 -15.128-136.158 16.485 -99.200 -91.000 PHE 187 1.000 -7.491-142.834 31.878 -99.200 -91.000 HIS 194 0.900 1.634-149.343 33.037 -99.200 -91.000 PHE 215 1.000 -12.443-139.784 41.736 -99.200 -91.000 TYR 216 0.840 -17.005-141.273 36.085 -99.200 -91.000