============================================================================= 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 20.075-135.852 42.651 -99.200 -91.000 TYR 5 0.840 15.655-136.038 34.240 -99.200 -91.000 PHE 20 1.000 -17.323-132.976 23.409 -99.200 -91.000 TYR 33 0.840 8.138-153.272 41.363 -99.200 -91.000 TYR 39 0.840 -8.221-136.847 44.527 -99.200 -91.000 PHE 44 1.000 -2.786-129.624 38.962 -99.200 -91.000 PHE 57 1.000 11.140-135.918 38.538 -99.200 -91.000 PHE 68 1.000 -0.181-122.400 30.218 -99.200 -91.000 TRP 74 1.040 3.968-112.170 35.515 -99.200 -91.000 TRP6 74 1.020 4.423-109.910 35.922 -99.200 -91.000 TYR 75 0.840 -1.785-113.217 26.518 -99.200 -91.000 HIS 76 0.900 -5.497-112.927 31.712 -99.200 -91.000 PHE 77 1.000 -0.756-108.881 36.599 -99.200 -91.000 HIS 79 0.900 0.655-108.938 26.230 -99.200 -91.000 HIS 95 0.900 8.788-120.056 21.911 -99.200 -91.000 TYR 98 0.840 14.355-126.198 21.581 -99.200 -91.000 PHE 102 1.000 20.957-127.950 24.557 -99.200 -91.000 PHE 103 1.000 18.324-130.739 34.558 -99.200 -91.000 TYR 105 0.840 10.415-128.008 32.553 -99.200 -91.000 TYR 106 0.840 12.355-139.193 31.701 -99.200 -91.000 HIS 108 0.900 2.801-137.271 25.621 -99.200 -91.000 TYR 123 0.840 -2.773-126.829 19.754 -99.200 -91.000 PHE 125 1.000 2.582-128.756 23.943 -99.200 -91.000 TYR 131 0.840 3.398-126.063 18.611 -99.200 -91.000 PHE 149 1.000 -10.923-148.192 23.039 -99.200 -91.000 PHE 156 1.000 -15.620-143.786 13.954 -99.200 -91.000 TYR 160 0.840 -11.445-150.143 4.931 -99.200 -91.000 TYR 173 0.840 -15.056-135.612 16.369 -99.200 -91.000 PHE 187 1.000 -7.611-143.125 32.325 -99.200 -91.000 HIS 194 0.900 1.825-149.454 33.031 -99.200 -91.000 PHE 215 1.000 -12.602-139.867 42.085 -99.200 -91.000 TYR 216 0.840 -17.266-141.379 36.229 -99.200 -91.000