============================================================================= 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 20.262-135.576 42.632 -99.200 -91.000 TYR 5 0.840 15.745-135.679 34.245 -99.200 -91.000 PHE 20 1.000 -17.215-133.225 23.256 -99.200 -91.000 TYR 33 0.840 7.693-153.416 40.992 -99.200 -91.000 TYR 39 0.840 -8.349-137.017 44.164 -99.200 -91.000 PHE 44 1.000 -2.576-129.857 38.338 -99.200 -91.000 PHE 57 1.000 11.283-135.683 38.402 -99.200 -91.000 PHE 68 1.000 -0.333-122.538 30.138 -99.200 -91.000 TRP 74 1.040 3.608-112.334 35.572 -99.200 -91.000 TRP6 74 1.020 4.172-110.107 36.124 -99.200 -91.000 TYR 75 0.840 -1.812-113.291 26.435 -99.200 -91.000 HIS 76 0.900 -5.492-113.170 31.581 -99.200 -91.000 PHE 77 1.000 -0.689-108.914 36.736 -99.200 -91.000 HIS 79 0.900 0.568-108.990 25.859 -99.200 -91.000 HIS 95 0.900 8.957-119.788 22.011 -99.200 -91.000 TYR 98 0.840 14.606-125.962 21.617 -99.200 -91.000 PHE 102 1.000 21.120-127.699 24.552 -99.200 -91.000 PHE 103 1.000 18.395-130.583 34.736 -99.200 -91.000 TYR 105 0.840 10.344-127.709 32.706 -99.200 -91.000 TYR 106 0.840 12.169-138.698 31.765 -99.200 -91.000 HIS 108 0.900 2.872-136.767 25.724 -99.200 -91.000 TYR 123 0.840 -2.972-126.790 19.936 -99.200 -91.000 PHE 125 1.000 2.484-128.344 24.074 -99.200 -91.000 TYR 131 0.840 3.319-126.193 19.196 -99.200 -91.000 PHE 149 1.000 -11.092-148.708 22.932 -99.200 -91.000 PHE 156 1.000 -16.170-144.336 13.734 -99.200 -91.000 TYR 160 0.840 -11.829-150.656 5.013 -99.200 -91.000 TYR 173 0.840 -15.187-136.288 16.588 -99.200 -91.000 PHE 187 1.000 -7.540-143.064 31.747 -99.200 -91.000 HIS 194 0.900 1.738-149.571 32.838 -99.200 -91.000 PHE 215 1.000 -12.348-140.160 41.574 -99.200 -91.000 TYR 216 0.840 -16.973-141.597 35.931 -99.200 -91.000