============================================================================= 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. TYR 14 0.840 34.156 55.568 -35.634 -99.200 -91.000 PHE 17 1.000 35.840 55.773 -30.172 -99.200 -91.000 TYR 22 0.840 32.203 56.956 -26.781 -99.200 -91.000 TYR 27 0.840 28.886 56.179 -21.687 -99.200 -91.000 TRP 43 1.040 14.845 58.398 -20.648 -99.200 -91.000 TRP6 43 1.020 15.944 57.747 -22.632 -99.200 -91.000 PHE 52 1.000 17.043 43.373 -21.268 -99.200 -91.000 TYR 72 0.840 25.491 52.360 -21.641 -99.200 -91.000 HIS 80 0.900 15.925 39.342 -17.853 -99.200 -91.000 PHE 81 1.000 18.753 37.755 -23.733 -99.200 -91.000 PHE 89 1.000 36.162 49.203 -38.297 -99.200 -91.000 TRP 100 1.040 34.324 46.480 -16.147 -99.200 -91.000 TRP6 100 1.020 32.703 44.783 -16.372 -99.200 -91.000 PHE 108 1.000 34.259 54.726 -17.227 -99.200 -91.000 TRP 110 1.040 32.017 50.430 -17.294 -99.200 -91.000 TRP6 110 1.020 30.774 52.060 -18.487 -99.200 -91.000 TYR 113 0.840 27.243 54.555 -15.895 -99.200 -91.000 HIS 116 0.900 20.514 54.989 -10.822 -99.200 -91.000 TRP 127 1.040 28.581 47.718 -5.942 -99.200 -91.000 TRP6 127 1.020 30.764 47.424 -6.833 -99.200 -91.000 HIS 147 0.900 29.186 50.809 -42.713 -99.200 -91.000 PHE 169 1.000 24.136 56.733 -27.363 -99.200 -91.000 PHE 181 1.000 20.018 54.257 -38.639 -99.200 -91.000 HIS 187 0.900 24.799 45.347 -44.393 -99.200 -91.000 HIS 197 0.900 11.492 40.599 -28.290 -99.200 -91.000 TRP 208 1.040 29.614 68.567 -34.120 -99.200 -91.000 TRP6 208 1.020 30.712 68.797 -32.032 -99.200 -91.000 TYR 209 0.840 31.270 60.238 -31.832 -99.200 -91.000 TYR 235 0.840 14.186 44.615 -36.363 -99.200 -91.000 TYR 243 0.840 17.363 62.640 -21.475 -99.200 -91.000 HIS 248 0.900 24.202 70.209 -15.846 -99.200 -91.000 PHE 260 1.000 17.730 56.036 -31.906 -99.200 -91.000 PHE 261 1.000 14.594 51.091 -25.485 -99.200 -91.000 TRP 263 1.040 11.088 45.429 -27.091 -99.200 -91.000 TRP6 263 1.020 9.500 45.231 -25.354 -99.200 -91.000