============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 9 1.000 -5.855 -21.989 22.028 -99.200 -91.000 PHE 12 1.000 -10.357 -22.542 16.078 -99.200 -91.000 PHE 54 1.000 -20.731 -13.388 15.732 -99.200 -91.000 PHE 58 1.000 -23.734 -15.745 18.683 -99.200 -91.000 PHE 74 1.000 -8.750 -3.285 18.587 -99.200 -91.000 TYR 88 0.840 -3.602 -7.772 4.375 -99.200 -91.000 TYR 91 0.840 -8.512 -4.884 1.449 -99.200 -91.000 HIS 95 0.900 -9.203 -1.301 -0.804 -99.200 -91.000 TYR 126 0.840 -6.011 -7.134 -8.854 -99.200 -91.000 TYR 130 0.840 -10.175 -6.939 -5.894 -99.200 -91.000 TYR 145 0.840 14.052 3.307 -18.110 -99.200 -91.000 TYR 146 0.840 7.213 2.024 -9.554 -99.200 -91.000 PHE 177 1.000 32.982 -0.668 -11.682 -99.200 -91.000 TRP 184 1.040 27.304 12.007 -19.277 -99.200 -91.000 TRP6 184 1.020 25.616 12.454 -20.871 -99.200 -91.000 PHE 191 1.000 22.238 -0.516 -12.256 -99.200 -91.000 HIS 202 0.900 23.954 -15.061 -11.144 -99.200 -91.000 PHE 207 1.000 22.770 -8.082 -4.802 -99.200 -91.000 TYR 210 0.840 28.551 -2.671 -8.151 -99.200 -91.000 PHE 216 1.000 31.211 3.692 -5.617 -99.200 -91.000 TYR 247 0.840 11.827 -4.053 1.273 -99.200 -91.000 TYR 253 0.840 14.706 2.798 12.079 -99.200 -91.000 TYR 254 0.840 14.391 4.083 7.168 -99.200 -91.000 HIS 264 0.900 -2.018 1.350 3.848 -99.200 -91.000 PHE 279 1.000 12.048 -15.875 16.282 -99.200 -91.000 PHE 285 1.000 12.767 -2.756 14.221 -99.200 -91.000 PHE 289 1.000 16.680 -0.555 11.449 -99.200 -91.000 TYR 294 0.840 6.613 -5.445 23.713 -99.200 -91.000 TYR 305 0.840 -2.675 0.881 15.732 -99.200 -91.000