============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 7 1.040 -13.512 -3.783 28.812 -99.200 -91.000 TRP6 7 1.020 -15.664 -3.402 27.893 -99.200 -91.000 PHE 19 1.000 -13.602 6.231 25.712 -99.200 -91.000 TYR 22 0.840 -9.037 0.141 26.859 -99.200 -91.000 TYR 38 0.840 -13.290 10.056 -4.532 -99.200 -91.000 TRP 59 1.040 -10.532 -9.931 10.124 -99.200 -91.000 TRP6 59 1.020 -11.342 -11.421 11.787 -99.200 -91.000 HIS 61 0.900 -17.089 -13.226 1.652 -99.200 -91.000 TYR 65 0.840 -13.496 -16.433 11.950 -99.200 -91.000 TRP 82 1.040 -21.840 -5.199 7.780 -99.200 -91.000 TRP6 82 1.020 -22.480 -6.872 9.333 -99.200 -91.000 TYR 84 0.840 -24.753 0.106 -1.895 -99.200 -91.000 TYR 85 0.840 -17.600 -7.853 1.320 -99.200 -91.000 TYR 98 0.840 -36.727 -5.263 5.010 -99.200 -91.000 HIS 105 0.900 -31.990 5.065 15.337 -99.200 -91.000 HIS 110 0.900 -28.137 6.065 -6.223 -99.200 -91.000 TRP 116 1.040 -25.722 -0.088 -9.857 -99.200 -91.000 TRP6 116 1.020 -27.799 0.705 -10.696 -99.200 -91.000 PHE 121 1.000 -29.749 -0.078 0.597 -99.200 -91.000 PHE 128 1.000 -35.065 -5.125 17.730 -99.200 -91.000 PHE 163 1.000 -29.564 -15.512 14.132 -99.200 -91.000 TRP 166 1.040 -36.300 -10.985 11.121 -99.200 -91.000 TRP6 166 1.020 -36.690 -10.323 8.876 -99.200 -91.000 HIS 168 0.900 -36.921 -20.404 5.173 -99.200 -91.000 PHE 174 1.000 -25.844 -18.484 12.130 -99.200 -91.000 TYR 182 0.840 -20.464 -6.960 29.292 -99.200 -91.000 HIS 183 0.900 -24.454 -7.762 30.742 -99.200 -91.000 PHE 197 1.000 -31.030 -21.332 15.015 -99.200 -91.000 PHE 206 1.000 -10.608 -4.109 10.216 -99.200 -91.000 HIS 212 0.900 -16.266 -8.276 26.087 -99.200 -91.000 TYR 215 0.840 -19.979 -8.277 14.586 -99.200 -91.000 TYR 216 0.840 -24.720 -17.686 16.874 -99.200 -91.000 HIS 226 0.900 -11.084 -20.710 25.997 -99.200 -91.000 PHE 253 1.000 -11.981 1.854 -4.946 -99.200 -91.000