============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 33 1.000 -5.757 -11.930 13.319 -99.200 -91.000 PHE 38 1.000 -2.962 -16.656 18.801 -99.200 -91.000 TYR 46 0.840 6.086 -17.652 25.038 -99.200 -91.000 PHE 52 1.000 10.796 -11.814 6.997 -99.200 -91.000 TYR 64 0.840 7.796 -9.248 16.754 -99.200 -91.000 HIS 67 0.900 6.052 -0.933 22.564 -99.200 -91.000 TYR 69 0.840 0.532 -1.961 25.841 -99.200 -91.000 TYR 80 0.840 12.105 -10.550 20.581 -99.200 -91.000 TYR 85 0.840 15.823 -11.953 6.480 -99.200 -91.000 TYR 92 0.840 13.819 -14.464 3.100 -99.200 -91.000 PHE 94 1.000 12.864 -12.917 14.445 -99.200 -91.000 TYR 111 0.840 -0.082 -11.452 30.661 -99.200 -91.000 PHE 117 1.000 9.228 -8.360 10.247 -99.200 -91.000 HIS 125 0.900 9.244 -3.269 6.204 -99.200 -91.000 TRP 128 1.040 0.697 -8.375 14.504 -99.200 -91.000 TRP6 128 1.020 2.823 -8.088 13.483 -99.200 -91.000 TRP 130 1.040 0.035 -10.390 18.786 -99.200 -91.000 TRP6 130 1.020 0.823 -12.141 20.167 -99.200 -91.000 TRP 138 1.040 -1.936 -26.728 27.027 -99.200 -91.000 TRP6 138 1.020 -0.817 -25.026 25.818 -99.200 -91.000