============================================================================= 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 19.908-135.672 42.777 -99.200 -91.000 TYR 5 0.840 15.124-135.563 34.409 -99.200 -91.000 PHE 20 1.000 -17.857-133.168 23.974 -99.200 -91.000 TYR 33 0.840 7.445-153.495 41.294 -99.200 -91.000 TYR 39 0.840 -8.665-137.182 44.533 -99.200 -91.000 PHE 44 1.000 -3.232-129.865 38.718 -99.200 -91.000 PHE 57 1.000 10.733-135.664 38.722 -99.200 -91.000 PHE 68 1.000 -0.927-122.572 30.241 -99.200 -91.000 TRP 74 1.040 2.882-112.158 35.598 -99.200 -91.000 TRP6 74 1.020 3.307-109.867 36.008 -99.200 -91.000 TYR 75 0.840 -2.803-113.422 26.688 -99.200 -91.000 HIS 76 0.900 -6.295-113.651 32.374 -99.200 -91.000 PHE 77 1.000 -1.661-109.264 36.914 -99.200 -91.000 HIS 79 0.900 -0.829-108.917 25.722 -99.200 -91.000 HIS 95 0.900 8.144-120.151 22.116 -99.200 -91.000 TYR 98 0.840 13.608-126.264 21.743 -99.200 -91.000 PHE 102 1.000 20.163-127.750 24.455 -99.200 -91.000 PHE 103 1.000 17.775-130.343 34.877 -99.200 -91.000 TYR 105 0.840 9.834-127.743 32.997 -99.200 -91.000 TYR 106 0.840 11.431-138.803 32.302 -99.200 -91.000 HIS 108 0.900 2.605-136.913 26.093 -99.200 -91.000 TYR 123 0.840 -3.687-127.031 20.363 -99.200 -91.000 PHE 125 1.000 1.739-128.718 24.422 -99.200 -91.000 TYR 131 0.840 2.449-126.380 19.409 -99.200 -91.000 PHE 149 1.000 -11.328-148.560 23.562 -99.200 -91.000 PHE 156 1.000 -16.389-143.696 14.075 -99.200 -91.000 TYR 160 0.840 -12.352-150.441 5.241 -99.200 -91.000 TYR 173 0.840 -15.838-136.044 16.750 -99.200 -91.000 PHE 187 1.000 -8.065-143.141 32.131 -99.200 -91.000 HIS 194 0.900 1.125-149.532 33.234 -99.200 -91.000 PHE 215 1.000 -12.744-140.082 41.995 -99.200 -91.000 TYR 216 0.840 -17.396-141.671 36.243 -99.200 -91.000