============================================================================= 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. HIS 14 0.900 -17.915 21.306 33.295 -99.200 -91.000 PHE 93 1.000 -13.093 3.454 40.147 -99.200 -91.000 HIS 133 0.900 4.742 11.226 54.057 -99.200 -91.000 HIS 137 0.900 10.255 17.689 50.268 -99.200 -91.000 TRP 155 1.040 -12.341 33.694 43.025 -99.200 -91.000 TRP6 155 1.020 -14.174 32.564 42.035 -99.200 -91.000 PHE 161 1.000 -11.652 28.440 42.040 -99.200 -91.000 TYR 164 0.840 -9.172 34.761 46.765 -99.200 -91.000 PHE 174 1.000 4.699 28.686 42.556 -99.200 -91.000 HIS 189 0.900 -7.336 33.952 30.858 -99.200 -91.000 HIS 194 0.900 -10.680 29.834 18.036 -99.200 -91.000 PHE 201 1.000 -11.267 19.002 20.415 -99.200 -91.000 PHE 218 1.000 -24.674 22.616 30.684 -99.200 -91.000 PHE 219 1.000 -16.063 27.337 31.477 -99.200 -91.000 TRP 223 1.040 -13.515 37.022 31.240 -99.200 -91.000 TRP6 223 1.020 -11.930 37.420 32.947 -99.200 -91.000 PHE 225 1.000 -10.778 34.584 27.600 -99.200 -91.000 HIS 231 0.900 -8.437 28.162 32.592 -99.200 -91.000 TRP 238 1.040 5.775 22.225 29.730 -99.200 -91.000 TRP6 238 1.020 6.927 20.975 31.369 -99.200 -91.000 PHE 245 1.000 2.164 24.076 26.381 -99.200 -91.000 TRP 251 1.040 11.308 34.151 43.991 -99.200 -91.000 TRP6 251 1.020 9.785 35.879 44.525 -99.200 -91.000 TYR 260 0.840 -6.697 47.301 48.446 -99.200 -91.000 TYR 269 0.840 9.154 38.036 31.300 -99.200 -91.000 TYR 270 0.840 10.054 42.811 32.316 -99.200 -91.000 TYR 271 0.840 16.096 37.378 34.741 -99.200 -91.000 PHE 290 1.000 -4.374 22.820 24.573 -99.200 -91.000 PHE 300 1.000 -5.844 5.109 24.535 -99.200 -91.000 TYR 301 0.840 -10.060 7.866 25.463 -99.200 -91.000