============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 2 0.840 78.436 -7.603 29.978 -99.200 -91.000 PHE 9 1.000 88.434 -9.587 33.235 -99.200 -91.000 PHE 16 1.000 84.222 -2.938 26.146 -99.200 -91.000 TYR 20 0.840 84.283 3.184 27.668 -99.200 -91.000 PHE 36 1.000 120.825 11.642 20.345 -99.200 -91.000 TYR 67 0.840 122.806 11.036 35.305 -99.200 -91.000 PHE 85 1.000 104.520 5.596 42.528 -99.200 -91.000 TYR 97 0.840 118.597 -1.757 45.323 -99.200 -91.000 TYR 117 0.840 95.088 4.051 41.974 -99.200 -91.000 TYR 120 0.840 93.436 -4.113 44.342 -99.200 -91.000 TYR 126 0.840 97.104 6.976 38.670 -99.200 -91.000 PHE 132 1.000 108.345 7.043 32.948 -99.200 -91.000 PHE 143 1.000 112.030 0.987 29.131 -99.200 -91.000 TYR 154 0.840 107.454 1.814 21.895 -99.200 -91.000 PHE 169 1.000 108.309 11.920 8.896 -99.200 -91.000 TYR 174 0.840 114.826 5.550 14.605 -99.200 -91.000 TYR 215 0.840 117.046 13.752 29.651 -99.200 -91.000 TYR 218 0.840 118.069 20.583 21.876 -99.200 -91.000 PHE 226 1.000 117.589 21.465 15.740 -99.200 -91.000