============================================================================= 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 3 0.840 -19.717 6.233 12.991 -99.200 -91.000 TRP 10 1.040 -14.772 -5.491 7.388 -99.200 -91.000 TRP6 10 1.020 -13.453 -5.296 9.351 -99.200 -91.000 PHE 25 1.000 -10.699 -1.208 11.315 -99.200 -91.000 HIS 27 0.900 -8.785 6.178 19.821 -99.200 -91.000 HIS 31 0.900 -4.782 1.183 24.970 -99.200 -91.000 TYR 33 0.840 -8.950 -2.215 22.014 -99.200 -91.000 PHE 38 1.000 -11.885 -14.222 13.177 -99.200 -91.000 HIS 45 0.900 -11.063 -29.182 13.941 -99.200 -91.000 PHE 49 1.000 -9.948 -19.183 13.176 -99.200 -91.000 PHE 53 1.000 -4.369 -5.265 10.324 -99.200 -91.000 PHE 58 1.000 -4.057 7.746 7.739 -99.200 -91.000 HIS 69 0.900 -4.394 -19.291 22.933 -99.200 -91.000 PHE 110 1.000 -9.844 -18.849 3.637 -99.200 -91.000 TYR 111 0.840 -3.905 -13.201 0.555 -99.200 -91.000 PHE 112 1.000 -10.470 -9.592 5.714 -99.200 -91.000 PHE 122 1.000 -10.767 12.097 13.186 -99.200 -91.000 PHE 133 1.000 -8.854 27.310 13.090 -99.200 -91.000 TRP 137 1.040 -8.860 29.340 7.407 -99.200 -91.000 TRP6 137 1.020 -9.951 27.238 7.364 -99.200 -91.000 PHE 148 1.000 -15.121 17.744 1.614 -99.200 -91.000 HIS 154 0.900 -33.203 17.081 10.282 -99.200 -91.000 TYR 170 0.840 -10.424 17.836 21.438 -99.200 -91.000 TYR 184 0.840 -13.879 30.355 13.406 -99.200 -91.000 TRP 194 1.040 -1.603 19.639 14.638 -99.200 -91.000 TRP6 194 1.020 -3.165 19.770 16.414 -99.200 -91.000 TYR 208 0.840 -25.921 22.386 10.297 -99.200 -91.000 TYR 222 0.840 -10.001 9.243 1.920 -99.200 -91.000 TYR 224 0.840 -18.599 15.148 3.546 -99.200 -91.000 TYR 227 0.840 -17.356 17.748 10.924 -99.200 -91.000