============================================================================= 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 20.049-135.705 42.671 -99.200 -91.000 TYR 5 0.840 15.223-135.504 34.332 -99.200 -91.000 PHE 20 1.000 -17.636-133.428 23.505 -99.200 -91.000 TYR 33 0.840 7.642-153.474 41.040 -99.200 -91.000 TYR 39 0.840 -8.509-137.316 44.490 -99.200 -91.000 PHE 44 1.000 -3.152-130.016 38.704 -99.200 -91.000 PHE 57 1.000 10.885-135.759 38.502 -99.200 -91.000 PHE 68 1.000 -0.907-122.655 30.354 -99.200 -91.000 TRP 74 1.040 2.859-112.271 35.672 -99.200 -91.000 TRP6 74 1.020 3.245-110.001 36.242 -99.200 -91.000 TYR 75 0.840 -2.781-113.384 26.752 -99.200 -91.000 HIS 76 0.900 -6.352-113.888 32.456 -99.200 -91.000 PHE 77 1.000 -1.712-109.210 37.129 -99.200 -91.000 HIS 79 0.900 -1.040-109.043 26.141 -99.200 -91.000 HIS 95 0.900 8.316-119.931 22.246 -99.200 -91.000 TYR 98 0.840 13.929-126.020 21.794 -99.200 -91.000 PHE 102 1.000 20.413-127.659 24.620 -99.200 -91.000 PHE 103 1.000 17.934-130.560 34.834 -99.200 -91.000 TYR 105 0.840 9.865-127.634 33.130 -99.200 -91.000 TYR 106 0.840 11.509-138.646 31.681 -99.200 -91.000 HIS 108 0.900 2.266-136.821 26.090 -99.200 -91.000 TYR 123 0.840 -3.500-127.090 20.267 -99.200 -91.000 PHE 125 1.000 1.829-128.624 24.352 -99.200 -91.000 TYR 131 0.840 2.642-126.293 19.435 -99.200 -91.000 PHE 149 1.000 -11.133-149.022 23.280 -99.200 -91.000 PHE 156 1.000 -16.132-144.438 14.008 -99.200 -91.000 TYR 160 0.840 -11.923-151.113 5.025 -99.200 -91.000 TYR 173 0.840 -15.578-136.426 16.652 -99.200 -91.000 PHE 187 1.000 -7.794-143.336 32.029 -99.200 -91.000 HIS 194 0.900 1.261-149.739 33.066 -99.200 -91.000 PHE 215 1.000 -12.734-140.346 41.939 -99.200 -91.000 TYR 216 0.840 -17.149-141.877 36.149 -99.200 -91.000