============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 3 1.000 42.085 -4.101 14.784 -99.200 -91.000 TYR 21 0.840 22.180 1.328 -2.626 -99.200 -91.000 TRP 31 1.040 30.662 10.060 1.288 -99.200 -91.000 TRP6 31 1.020 29.819 11.065 -0.668 -99.200 -91.000 TRP 41 1.040 36.081 -0.263 5.836 -99.200 -91.000 TRP6 41 1.020 35.271 -1.823 4.273 -99.200 -91.000 PHE 43 1.000 41.266 -3.412 9.312 -99.200 -91.000 PHE 70 1.000 30.483 -11.854 -4.041 -99.200 -91.000 TRP 82 1.040 41.599 -7.643 1.518 -99.200 -91.000 TRP6 82 1.020 42.221 -6.563 -0.469 -99.200 -91.000 TYR 117 0.840 56.953 0.327 -2.451 -99.200 -91.000 TRP 123 1.040 45.144 2.700 1.163 -99.200 -91.000 TRP6 123 1.020 43.216 3.830 0.391 -99.200 -91.000 TYR 139 0.840 72.679 18.405 12.464 -99.200 -91.000 TRP 154 1.040 64.870 26.822 4.842 -99.200 -91.000 TRP6 154 1.020 64.339 27.487 2.635 -99.200 -91.000 TRP 167 1.040 55.953 20.189 8.882 -99.200 -91.000 TRP6 167 1.020 56.218 20.699 6.611 -99.200 -91.000 TYR 170 0.840 45.681 15.661 4.770 -99.200 -91.000 TYR 190 0.840 60.731 8.765 -7.435 -99.200 -91.000 TRP 209 1.040 57.502 12.101 2.266 -99.200 -91.000 TRP6 209 1.020 59.806 11.998 1.793 -99.200 -91.000 PHE 210 1.000 57.575 3.021 7.544 -99.200 -91.000 PHE 211 1.000 56.757 10.942 9.850 -99.200 -91.000 PHE 241 1.000 73.851 10.232 1.513 -99.200 -91.000 TRP 251 1.040 64.253 13.546 10.077 -99.200 -91.000 TRP6 251 1.020 64.455 15.823 9.599 -99.200 -91.000