============================================================================= 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. PHE 18 1.000 -2.655 20.592 -25.646 -99.200 -91.000 HIS 22 0.900 4.474 11.466 -15.398 -99.200 -91.000 HIS 24 0.900 0.642 11.212 -11.073 -99.200 -91.000 PHE 32 1.000 -3.264 8.386 3.276 -99.200 -91.000 TRP 36 1.040 -6.353 10.273 7.506 -99.200 -91.000 TRP6 36 1.020 -4.104 10.065 8.225 -99.200 -91.000 PHE 39 1.000 -2.701 13.813 4.095 -99.200 -91.000 PHE 40 1.000 -5.751 12.871 -0.155 -99.200 -91.000 PHE 71 1.000 -1.880 -2.025 -5.242 -99.200 -91.000 HIS 90 0.900 -12.326 11.862 -24.344 -99.200 -91.000 TRP 98 1.040 6.075 6.425 -8.211 -99.200 -91.000 TRP6 98 1.020 5.647 6.984 -5.951 -99.200 -91.000 PHE 99 1.000 9.501 6.583 -5.777 -99.200 -91.000 PHE 116 1.000 -1.660 -5.616 -10.385 -99.200 -91.000 PHE 117 1.000 2.736 -4.618 -14.166 -99.200 -91.000 TYR 123 0.840 -8.734 -10.655 -18.750 -99.200 -91.000 PHE 145 1.000 8.700 -5.693 -7.200 -99.200 -91.000 HIS 167 0.900 10.201 8.862 -10.527 -99.200 -91.000 PHE 182 1.000 11.296 -0.407 -20.304 -99.200 -91.000 HIS 196 0.900 9.034 12.284 -13.563 -99.200 -91.000 TYR 205 0.840 19.519 10.411 -19.815 -99.200 -91.000 TYR 214 0.840 14.335 3.611 -25.633 -99.200 -91.000 HIS 220 0.900 9.078 16.153 -12.816 -99.200 -91.000 HIS 223 0.900 6.681 19.020 -10.995 -99.200 -91.000 TRP 243 1.040 8.215 29.246 -16.382 -99.200 -91.000 TRP6 243 1.020 7.684 29.398 -18.688 -99.200 -91.000 TYR 258 0.840 17.099 13.155 -32.184 -99.200 -91.000 TRP 268 1.040 -0.494 20.966 -10.759 -99.200 -91.000 TRP6 268 1.020 1.629 21.790 -10.121 -99.200 -91.000 PHE 270 1.000 -6.505 18.554 -10.326 -99.200 -91.000 PHE 272 1.000 3.191 14.938 -3.778 -99.200 -91.000 TYR 275 0.840 7.909 15.912 -0.541 -99.200 -91.000 PHE 293 1.000 3.858 26.378 -16.482 -99.200 -91.000 PHE 301 1.000 10.104 29.954 -23.126 -99.200 -91.000 PHE 323 1.000 3.845 6.713 -24.952 -99.200 -91.000