============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 13 0.840 33.921 10.673 14.204 -99.200 -91.000 HIS 20 0.900 19.910 23.762 16.482 -99.200 -91.000 TYR 29 0.840 23.635 17.903 21.008 -99.200 -91.000 TYR 32 0.840 31.146 5.779 14.988 -99.200 -91.000 HIS 43 0.900 25.514 -3.229 24.615 -99.200 -91.000 PHE 46 1.000 26.673 5.246 30.782 -99.200 -91.000 TYR 48 0.840 23.361 8.921 26.870 -99.200 -91.000 TYR 58 0.840 38.899 17.022 18.538 -99.200 -91.000 TRP 68 1.040 45.990 18.251 30.982 -99.200 -91.000 TRP6 68 1.020 46.539 17.158 28.959 -99.200 -91.000 TYR 77 0.840 41.613 20.906 35.002 -99.200 -91.000 PHE 99 1.000 42.505 8.427 25.535 -99.200 -91.000 PHE 103 1.000 35.438 5.702 19.177 -99.200 -91.000 TYR 132 0.840 52.754 21.512 3.232 -99.200 -91.000 PHE 143 1.000 52.809 12.556 12.546 -99.200 -91.000 PHE 144 1.000 52.272 16.903 9.750 -99.200 -91.000 PHE 152 1.000 55.694 12.290 8.347 -99.200 -91.000 TRP 156 1.040 56.584 22.264 13.437 -99.200 -91.000 TRP6 156 1.020 54.340 22.907 13.820 -99.200 -91.000 TYR 158 0.840 54.657 25.488 3.946 -99.200 -91.000 PHE 167 1.000 49.719 25.773 11.663 -99.200 -91.000 TYR 185 0.840 44.985 24.849 3.313 -99.200 -91.000 PHE 187 1.000 42.174 20.519 7.242 -99.200 -91.000 TYR 196 0.840 30.775 13.225 6.815 -99.200 -91.000 TYR 217 0.840 39.164 9.257 15.966 -99.200 -91.000 TRP 251 1.040 26.026 7.810 11.873 -99.200 -91.000 TRP6 251 1.020 24.462 9.570 11.667 -99.200 -91.000 TRP 252 1.040 33.090 7.985 7.606 -99.200 -91.000 TRP6 252 1.020 32.578 7.984 9.910 -99.200 -91.000 TYR 253 0.840 32.483 4.619 3.679 -99.200 -91.000