============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 5 1.000 17.274 27.182 26.878 -99.200 -91.000 HIS 15 0.900 12.862 15.768 15.681 -99.200 -91.000 HIS 61 0.900 7.910 7.740 35.398 -99.200 -91.000 PHE 68 1.000 -3.607 5.564 29.593 -99.200 -91.000 HIS 82 0.900 -2.164 26.277 30.664 -99.200 -91.000 PHE 84 1.000 1.923 21.207 29.422 -99.200 -91.000 PHE 87 1.000 10.808 12.582 28.910 -99.200 -91.000 PHE 92 1.000 9.183 3.152 24.530 -99.200 -91.000 TYR 103 0.840 7.212 5.816 20.264 -99.200 -91.000 PHE 108 1.000 0.097 2.442 29.845 -99.200 -91.000 TRP 113 1.040 -0.498 9.165 25.091 -99.200 -91.000 TRP6 113 1.020 1.150 9.466 26.729 -99.200 -91.000 HIS 120 0.900 17.689 3.110 30.708 -99.200 -91.000 HIS 139 0.900 5.735 14.493 10.986 -99.200 -91.000 TYR 159 0.840 24.898 2.786 29.337 -99.200 -91.000 HIS 170 0.900 20.506 5.853 15.152 -99.200 -91.000 PHE 173 1.000 12.301 8.605 17.433 -99.200 -91.000 PHE 177 1.000 22.491 13.122 24.260 -99.200 -91.000 PHE 189 1.000 21.917 15.676 19.029 -99.200 -91.000 HIS 191 0.900 23.142 18.143 26.622 -99.200 -91.000 TYR 209 0.840 16.223 14.702 44.916 -99.200 -91.000 TYR 243 0.840 12.494 22.947 42.402 -99.200 -91.000 TRP 248 1.040 14.822 32.405 31.981 -99.200 -91.000 TRP6 248 1.020 14.588 31.221 29.974 -99.200 -91.000 TYR 251 0.840 19.013 30.029 28.732 -99.200 -91.000