============================================================================= 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 -8.834 8.553 11.550 -99.200 -91.000 HIS 20 0.900 -21.673 7.045 25.364 -99.200 -91.000 TYR 29 0.840 -18.383 1.686 19.566 -99.200 -91.000 TYR 32 0.840 -12.005 7.688 6.816 -99.200 -91.000 HIS 43 0.900 -18.136 -2.028 -1.596 -99.200 -91.000 PHE 46 1.000 -16.362 -8.146 6.825 -99.200 -91.000 TYR 48 0.840 -19.319 -4.200 10.696 -99.200 -91.000 TYR 58 0.840 -3.100 4.561 17.190 -99.200 -91.000 TRP 68 1.040 4.276 -7.908 18.046 -99.200 -91.000 TRP6 68 1.020 4.786 -5.913 16.885 -99.200 -91.000 TYR 77 0.840 0.128 -12.047 21.223 -99.200 -91.000 PHE 99 1.000 -0.284 -2.926 8.476 -99.200 -91.000 PHE 103 1.000 -7.715 3.494 6.380 -99.200 -91.000 TYR 132 0.840 11.018 19.016 20.778 -99.200 -91.000 PHE 143 1.000 10.513 10.297 11.351 -99.200 -91.000 PHE 144 1.000 10.315 12.734 15.798 -99.200 -91.000 PHE 152 1.000 13.202 14.700 11.043 -99.200 -91.000 TRP 156 1.040 15.297 8.884 20.475 -99.200 -91.000 TRP6 156 1.020 13.140 8.378 21.296 -99.200 -91.000 TYR 158 0.840 13.295 18.005 24.591 -99.200 -91.000 PHE 167 1.000 8.519 10.222 24.676 -99.200 -91.000 TYR 185 0.840 3.718 18.745 24.781 -99.200 -91.000 TYR 187 0.840 0.768 14.819 20.619 -99.200 -91.000 TYR 196 0.840 -11.505 15.884 14.373 -99.200 -91.000 TYR 217 0.840 -3.684 6.703 9.446 -99.200 -91.000 TRP 251 1.040 -16.916 10.789 9.361 -99.200 -91.000 TRP6 251 1.020 -18.325 11.001 11.248 -99.200 -91.000 TRP 252 1.040 -9.840 15.104 8.860 -99.200 -91.000 TRP6 252 1.020 -10.331 12.795 8.947 -99.200 -91.000 TYR 253 0.840 -10.774 19.084 5.770 -99.200 -91.000