============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 47.105 27.969 16.423 -99.200 -91.000 TRP6 14 1.020 48.301 29.999 16.787 -99.200 -91.000 PHE 19 1.000 35.033 18.398 3.770 -99.200 -91.000 TRP 37 1.040 55.064 15.151 12.009 -99.200 -91.000 TRP6 37 1.020 54.444 12.931 12.473 -99.200 -91.000 HIS 43 0.900 37.098 12.683 20.842 -99.200 -91.000 TYR 47 0.840 33.380 6.601 21.608 -99.200 -91.000 TRP 49 1.040 28.740 6.255 19.763 -99.200 -91.000 TRP6 49 1.020 28.815 8.600 19.894 -99.200 -91.000 PHE 53 1.000 35.893 8.597 10.195 -99.200 -91.000 HIS 65 0.900 37.101 34.076 8.846 -99.200 -91.000 TYR 70 0.840 38.552 25.111 -2.956 -99.200 -91.000 TYR 84 0.840 52.527 7.707 13.129 -99.200 -91.000 HIS 86 0.900 49.524 7.121 24.519 -99.200 -91.000 TYR 89 0.840 41.264 6.632 22.306 -99.200 -91.000 TRP 91 1.040 38.777 2.269 22.550 -99.200 -91.000 TRP6 91 1.020 36.985 0.775 22.647 -99.200 -91.000 PHE 110 1.000 54.918 26.409 8.250 -99.200 -91.000 TYR 113 0.840 45.323 34.779 5.009 -99.200 -91.000 HIS 115 0.900 53.992 30.981 11.837 -99.200 -91.000 TYR 132 0.840 47.866 32.081 35.730 -99.200 -91.000 TRP 139 1.040 35.316 26.494 11.240 -99.200 -91.000 TRP6 139 1.020 37.483 25.629 11.028 -99.200 -91.000 TRP 146 1.040 19.859 23.592 16.229 -99.200 -91.000 TRP6 146 1.020 21.972 22.577 16.502 -99.200 -91.000 PHE 184 1.000 44.002 21.791 30.375 -99.200 -91.000 TYR 188 0.840 34.268 32.410 32.120 -99.200 -91.000 PHE 207 1.000 42.537 25.850 27.449 -99.200 -91.000 PHE 213 1.000 57.240 37.337 31.839 -99.200 -91.000 TRP 217 1.040 49.194 33.300 20.306 -99.200 -91.000 TRP6 217 1.020 47.298 33.560 21.642 -99.200 -91.000 TYR 218 0.840 54.808 28.564 24.454 -99.200 -91.000 TRP 225 1.040 36.523 13.685 28.734 -99.200 -91.000 TRP6 225 1.020 35.146 13.990 30.614 -99.200 -91.000 TYR 235 0.840 33.435 23.520 35.995 -99.200 -91.000 PHE 237 1.000 36.718 17.028 33.012 -99.200 -91.000 TYR 238 0.840 39.517 22.114 27.113 -99.200 -91.000 HIS 240 0.900 48.825 18.518 31.489 -99.200 -91.000 PHE 242 1.000 55.617 19.431 29.933 -99.200 -91.000 TRP 247 1.040 52.640 8.487 21.563 -99.200 -91.000 TRP6 247 1.020 51.072 9.763 20.355 -99.200 -91.000 PHE 255 1.000 66.820 16.822 16.363 -99.200 -91.000