============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TRP 16 1.040 0.958 -2.425 -24.693 -99.200 -91.000 TRP6 16 1.020 2.105 -1.383 -22.893 -99.200 -91.000 TYR 22 0.840 -5.192 -0.374 -16.682 -99.200 -91.000 TYR 33 0.840 -9.004 0.752 -37.205 -99.200 -91.000 PHE 46 1.000 -10.228 20.294 -38.344 -99.200 -91.000 PHE 51 1.000 -19.916 17.203 -36.613 -99.200 -91.000 TYR 59 0.840 -2.364 29.283 -27.144 -99.200 -91.000 PHE 61 1.000 -2.349 24.355 -23.948 -99.200 -91.000 TRP 98 1.040 -3.351 7.438 -12.330 -99.200 -91.000 TRP6 98 1.020 -5.548 7.986 -11.615 -99.200 -91.000 TYR 100 0.840 -2.109 3.559 -16.549 -99.200 -91.000 TYR 103 0.840 -1.223 -1.482 -10.226 -99.200 -91.000 TRP 126 1.040 -6.769 -0.323 -8.045 -99.200 -91.000 TRP6 126 1.020 -6.731 -0.627 -10.395 -99.200 -91.000 TRP 129 1.040 -11.738 6.177 -11.904 -99.200 -91.000 TRP6 129 1.020 -11.121 7.711 -13.598 -99.200 -91.000 HIS 157 0.900 -11.257 28.180 -23.385 -99.200 -91.000 HIS 160 0.900 -7.291 33.101 -26.574 -99.200 -91.000 PHE 172 1.000 -5.360 16.627 -30.728 -99.200 -91.000 HIS 174 0.900 -1.882 9.757 -23.495 -99.200 -91.000 HIS 176 0.900 -7.402 5.038 -16.618 -99.200 -91.000 TYR 180 0.840 -8.573 12.742 -11.981 -99.200 -91.000 PHE 181 1.000 -8.704 18.976 -19.419 -99.200 -91.000 TRP 185 1.040 -14.420 22.398 -18.325 -99.200 -91.000 TRP6 185 1.020 -12.542 23.450 -19.335 -99.200 -91.000 PHE 186 1.000 -19.313 17.517 -15.395 -99.200 -91.000 TYR 206 0.840 3.387 25.942 -19.773 -99.200 -91.000 TYR 213 0.840 2.807 27.672 -13.168 -99.200 -91.000 TYR 219 0.840 -4.888 19.403 -5.495 -99.200 -91.000 HIS 221 0.900 -8.526 14.710 -4.530 -99.200 -91.000 PHE 228 1.000 -17.323 11.942 -17.292 -99.200 -91.000 TYR 240 0.840 -15.491 28.159 -20.220 -99.200 -91.000 HIS 242 0.900 -26.575 30.823 -18.349 -99.200 -91.000 HIS 243 0.900 -22.080 33.819 -24.844 -99.200 -91.000 PHE 256 1.000 -25.074 16.173 -34.493 -99.200 -91.000