============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TRP 35 1.040 4.835 -10.393 21.459 -99.200 -91.000 TRP6 35 1.020 4.305 -11.567 19.481 -99.200 -91.000 TYR 36 0.840 8.245 -2.992 19.484 -99.200 -91.000 TYR 49 0.840 8.229 -3.928 29.343 -99.200 -91.000 PHE 62 1.000 -3.699 -5.662 21.916 -99.200 -91.000 PHE 71 1.000 10.095 -15.759 23.010 -99.200 -91.000 PHE 83 1.000 -9.912 -7.343 13.183 -99.200 -91.000 TYR 86 0.840 -1.052 -6.993 16.128 -99.200 -91.000 TYR 87 0.840 6.405 -5.480 11.781 -99.200 -91.000 TYR 91 0.840 14.504 -6.925 24.582 -99.200 -91.000 TRP 94 1.040 26.575 -6.564 25.160 -99.200 -91.000 TRP6 94 1.020 25.395 -4.534 24.917 -99.200 -91.000 TYR 97 0.840 19.300 -5.323 21.097 -99.200 -91.000 PHE 99 1.000 12.185 -4.246 15.291 -99.200 -91.000 PHE 117 1.000 -16.921 -0.994 -12.418 -99.200 -91.000 PHE 119 1.000 -12.218 2.983 -15.300 -99.200 -91.000 PHE 140 1.000 -10.831 -7.876 -4.569 -99.200 -91.000 TYR 141 0.840 -12.359 -11.573 3.293 -99.200 -91.000 TRP 149 1.040 -3.998 -6.336 -17.805 -99.200 -91.000 TRP6 149 1.020 -5.498 -4.673 -18.573 -99.200 -91.000 TYR 174 0.840 -8.518 -7.096 1.712 -99.200 -91.000 TYR 187 0.840 -4.860 2.095 -26.815 -99.200 -91.000 HIS 190 0.900 -1.360 -5.229 -30.252 -99.200 -91.000 TYR 193 0.840 -5.443 -2.693 -26.190 -99.200 -91.000 HIS 199 0.900 -12.661 -13.018 -5.273 -99.200 -91.000 PHE 210 1.000 -10.389 -0.675 -24.338 -99.200 -91.000