============================================================================= 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 20.134-135.664 42.787 -99.200 -91.000 TYR 5 0.840 15.583-135.771 34.382 -99.200 -91.000 PHE 20 1.000 -17.341-132.832 23.654 -99.200 -91.000 TYR 33 0.840 8.002-153.189 41.178 -99.200 -91.000 TYR 39 0.840 -8.435-136.756 44.384 -99.200 -91.000 PHE 44 1.000 -2.749-129.675 38.488 -99.200 -91.000 PHE 57 1.000 11.172-135.773 38.545 -99.200 -91.000 PHE 68 1.000 -0.383-122.469 30.264 -99.200 -91.000 TRP 74 1.040 3.675-112.343 35.580 -99.200 -91.000 TRP6 74 1.020 4.269-110.127 36.148 -99.200 -91.000 TYR 75 0.840 -1.800-113.198 26.441 -99.200 -91.000 HIS 76 0.900 -5.431-113.145 31.960 -99.200 -91.000 PHE 77 1.000 -0.643-108.852 36.826 -99.200 -91.000 HIS 79 0.900 0.701-108.993 25.943 -99.200 -91.000 HIS 95 0.900 8.980-119.866 22.049 -99.200 -91.000 TYR 98 0.840 14.560-126.123 21.660 -99.200 -91.000 PHE 102 1.000 21.005-127.794 24.656 -99.200 -91.000 PHE 103 1.000 18.324-130.661 34.784 -99.200 -91.000 TYR 105 0.840 10.329-127.776 32.792 -99.200 -91.000 TYR 106 0.840 11.608-138.876 31.785 -99.200 -91.000 HIS 108 0.900 2.633-136.743 25.810 -99.200 -91.000 TYR 123 0.840 -3.090-126.724 20.021 -99.200 -91.000 PHE 125 1.000 2.299-128.382 24.154 -99.200 -91.000 TYR 131 0.840 3.269-126.186 19.296 -99.200 -91.000 PHE 149 1.000 -11.058-148.165 23.011 -99.200 -91.000 PHE 156 1.000 -15.739-143.336 13.872 -99.200 -91.000 TYR 160 0.840 -11.507-150.234 4.947 -99.200 -91.000 TYR 173 0.840 -15.084-136.083 16.776 -99.200 -91.000 PHE 187 1.000 -7.809-142.699 32.037 -99.200 -91.000 HIS 194 0.900 1.622-149.106 32.916 -99.200 -91.000 PHE 215 1.000 -12.568-139.875 41.800 -99.200 -91.000 TYR 216 0.840 -17.214-141.362 36.137 -99.200 -91.000