============================================================================= 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 6 1.000 73.737 -4.293 17.677 -99.200 -91.000 PHE 8 1.000 65.430 -7.599 22.248 -99.200 -91.000 TYR 24 0.840 48.405 -16.393 33.185 -99.200 -91.000 PHE 30 1.000 56.892 -23.750 20.288 -99.200 -91.000 TYR 47 0.840 58.594 -13.722 -6.733 -99.200 -91.000 PHE 63 1.000 66.427 -28.675 4.775 -99.200 -91.000 PHE 104 1.000 49.913 -9.966 19.845 -99.200 -91.000 PHE 120 1.000 47.302 -7.480 15.497 -99.200 -91.000 PHE 124 1.000 62.289 -14.173 16.787 -99.200 -91.000 TYR 125 0.840 59.975 -10.203 18.968 -99.200 -91.000 PHE 128 1.000 61.856 -14.261 23.721 -99.200 -91.000 TYR 146 0.840 77.618 -11.891 11.023 -99.200 -91.000 TRP 148 1.040 68.869 -11.301 17.514 -99.200 -91.000 TRP6 148 1.020 67.218 -12.486 18.743 -99.200 -91.000 PHE 156 1.000 69.422 -7.230 19.204 -99.200 -91.000 PHE 176 1.000 69.990 -22.509 24.238 -99.200 -91.000 TYR 184 0.840 55.217 -27.561 23.465 -99.200 -91.000 HIS 197 0.900 46.913 -25.977 16.108 -99.200 -91.000 PHE 200 1.000 45.108 -26.823 3.585 -99.200 -91.000 TYR 203 0.840 58.291 -24.271 0.830 -99.200 -91.000