============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 8 1.000 22.604 -0.842 -30.341 -99.200 -91.000 TRP 26 1.040 2.338 6.813 -10.854 -99.200 -91.000 TRP6 26 1.020 3.489 7.251 -12.860 -99.200 -91.000 TYR 48 0.840 18.951 3.735 -39.792 -99.200 -91.000 PHE 65 1.000 6.678 -6.066 -31.549 -99.200 -91.000 HIS 75 0.900 6.099 4.147 -39.494 -99.200 -91.000 TYR 82 0.840 10.755 -13.581 -29.088 -99.200 -91.000 HIS 84 0.900 13.328 -13.698 -19.737 -99.200 -91.000 HIS 86 0.900 10.355 -15.399 -16.667 -99.200 -91.000 HIS 89 0.900 11.474 -9.927 -20.853 -99.200 -91.000 HIS 91 0.900 2.291 -13.747 -22.230 -99.200 -91.000 TYR 99 0.840 6.401 -5.129 -37.989 -99.200 -91.000 TYR 110 0.840 17.165 -15.206 -36.051 -99.200 -91.000 TYR 120 0.840 4.936 -26.533 -31.497 -99.200 -91.000 PHE 123 1.000 2.094 -16.431 -27.203 -99.200 -91.000 TYR 125 0.840 -2.016 -17.760 -32.410 -99.200 -91.000 PHE 127 1.000 6.231 -20.565 -33.434 -99.200 -91.000 TYR 135 0.840 -7.253 -16.105 -38.060 -99.200 -91.000 HIS 142 0.900 15.781 -18.491 -38.750 -99.200 -91.000 PHE 150 1.000 21.562 -14.539 -33.067 -99.200 -91.000 PHE 161 1.000 21.172 -9.387 -32.799 -99.200 -91.000 PHE 164 1.000 26.005 -12.048 -22.758 -99.200 -91.000 HIS 168 0.900 15.050 -13.871 -15.025 -99.200 -91.000 PHE 176 1.000 20.400 -12.029 -27.429 -99.200 -91.000 TYR 183 0.840 18.318 -5.706 -23.748 -99.200 -91.000 PHE 190 1.000 26.190 -10.422 -15.986 -99.200 -91.000 TYR 197 0.840 30.632 -14.207 -25.361 -99.200 -91.000 TYR 211 0.840 16.885 2.292 -4.275 -99.200 -91.000 HIS 214 0.900 12.820 -10.528 -7.650 -99.200 -91.000 HIS 217 0.900 14.270 -9.462 -12.335 -99.200 -91.000 PHE 218 1.000 23.187 -8.818 -11.830 -99.200 -91.000 TRP 226 1.040 27.933 -8.603 -11.668 -99.200 -91.000 TRP6 226 1.020 29.887 -9.772 -12.388 -99.200 -91.000 HIS 239 0.900 12.831 -6.582 -15.696 -99.200 -91.000 HIS 241 0.900 8.515 -3.401 -9.157 -99.200 -91.000 TYR 246 0.840 15.849 9.706 -15.726 -99.200 -91.000 HIS 255 0.900 29.372 12.748 -12.414 -99.200 -91.000 HIS 256 0.900 30.956 4.912 -15.155 -99.200 -91.000 TYR 261 0.840 15.486 8.894 -21.696 -99.200 -91.000 PHE 266 1.000 22.946 3.612 -27.377 -99.200 -91.000