============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 4 1.000 47.265 25.758 41.170 -99.200 -91.000 TYR 18 0.840 33.821 12.976 46.917 -99.200 -91.000 TYR 24 0.840 39.360 3.092 45.397 -99.200 -91.000 TYR 25 0.840 34.891 5.811 52.270 -99.200 -91.000 HIS 31 0.900 43.994 14.611 50.103 -99.200 -91.000 PHE 67 1.000 43.094 21.655 43.448 -99.200 -91.000 TYR 88 0.840 59.556 17.707 33.939 -99.200 -91.000 PHE 104 1.000 44.864 16.107 41.884 -99.200 -91.000 PHE 114 1.000 52.134 7.533 32.711 -99.200 -91.000 TRP 126 1.040 56.804 11.295 24.888 -99.200 -91.000 TRP6 126 1.020 55.216 12.305 26.298 -99.200 -91.000 TRP 138 1.040 40.157 10.294 35.419 -99.200 -91.000 TRP6 138 1.020 42.232 11.242 34.835 -99.200 -91.000 TYR 139 0.840 36.921 6.806 26.804 -99.200 -91.000 PHE 153 1.000 49.848 14.343 26.260 -99.200 -91.000 TRP 158 1.040 45.239 26.371 29.253 -99.200 -91.000 TRP6 158 1.020 45.297 24.559 30.779 -99.200 -91.000 TYR 161 0.840 39.811 20.876 30.889 -99.200 -91.000