============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 5 1.000 4.084 10.403 19.725 -99.200 -91.000 PHE 7 1.000 9.614 12.226 18.713 -99.200 -91.000 PHE 10 1.000 12.037 15.869 20.820 -99.200 -91.000 PHE 19 1.000 10.422 20.637 13.549 -99.200 -91.000 PHE 51 1.000 4.080 11.254 15.961 -99.200 -91.000 HIS 56 0.900 -10.728 7.169 16.305 -99.200 -91.000 TRP 58 1.040 -14.323 12.393 20.803 -99.200 -91.000 TRP6 58 1.020 -16.587 12.492 20.124 -99.200 -91.000 PHE 68 1.000 -4.793 12.449 26.816 -99.200 -91.000 PHE 72 1.000 5.236 17.664 28.967 -99.200 -91.000 PHE 74 1.000 8.782 22.616 31.014 -99.200 -91.000 PHE 89 1.000 0.343 17.218 25.820 -99.200 -91.000 PHE 90 1.000 -0.772 22.775 20.717 -99.200 -91.000 PHE 110 1.000 -6.297 29.668 24.300 -99.200 -91.000 PHE 128 1.000 4.068 22.656 32.755 -99.200 -91.000 PHE 131 1.000 5.695 39.150 32.157 -99.200 -91.000 TYR 132 0.840 10.527 38.817 34.301 -99.200 -91.000 TRP 139 1.040 -4.191 35.473 30.748 -99.200 -91.000 TRP6 139 1.020 -4.036 36.928 28.892 -99.200 -91.000 TYR 143 0.840 -0.445 32.199 42.567 -99.200 -91.000 HIS 145 0.900 -0.397 30.633 36.537 -99.200 -91.000 TRP 161 1.040 6.329 25.096 38.011 -99.200 -91.000 TRP6 161 1.020 6.978 26.293 36.079 -99.200 -91.000 PHE 175 1.000 -9.744 12.191 29.584 -99.200 -91.000 TYR 188 0.840 11.564 22.257 39.018 -99.200 -91.000 TYR 194 0.840 6.119 22.476 41.628 -99.200 -91.000 TYR 198 0.840 -11.825 21.328 34.895 -99.200 -91.000 TRP 209 1.040 -10.099 10.397 13.551 -99.200 -91.000 TRP6 209 1.020 -8.408 8.741 13.596 -99.200 -91.000 PHE 214 1.000 5.231 18.970 24.367 -99.200 -91.000 TYR 222 0.840 15.220 38.332 26.334 -99.200 -91.000 HIS 225 0.900 9.690 29.511 26.287 -99.200 -91.000 TRP 230 1.040 5.524 14.255 23.741 -99.200 -91.000 TRP6 230 1.020 4.932 14.934 21.551 -99.200 -91.000 PHE 232 1.000 -0.303 10.981 22.995 -99.200 -91.000 TYR 238 0.840 -15.468 -1.423 23.624 -99.200 -91.000