============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 16 1.000 -49.668 13.428 -28.445 -99.200 -91.000 PHE 27 1.000 -44.386 -3.983 -25.403 -99.200 -91.000 TYR 31 0.840 -43.512 7.357 -23.192 -99.200 -91.000 TRP 35 1.040 -55.681 14.558 -27.926 -99.200 -91.000 TRP6 35 1.020 -57.694 13.549 -28.682 -99.200 -91.000 TYR 68 0.840 -57.400 -1.288 -41.952 -99.200 -91.000 HIS 77 0.900 -67.869 -4.715 -22.444 -99.200 -91.000 PHE 99 1.000 -58.559 1.065 -11.423 -99.200 -91.000 TYR 105 0.840 -57.909 -5.234 -10.668 -99.200 -91.000 HIS 109 0.900 -55.815 -5.383 -6.911 -99.200 -91.000 TYR 117 0.840 -65.739 -6.543 -9.061 -99.200 -91.000 TRP 121 1.040 -63.529 -8.265 -14.510 -99.200 -91.000 TRP6 121 1.020 -62.046 -8.953 -12.813 -99.200 -91.000 TYR 131 0.840 -67.611 -4.367 -32.439 -99.200 -91.000 HIS 139 0.900 -56.831 -10.181 -29.851 -99.200 -91.000 HIS 154 0.900 -66.294 -0.558 -19.477 -99.200 -91.000 PHE 160 1.000 -57.871 -5.041 -31.239 -99.200 -91.000 TYR 173 0.840 -53.644 -14.827 -41.368 -99.200 -91.000 HIS 174 0.900 -55.247 -21.211 -44.830 -99.200 -91.000 TRP 184 1.040 -53.047 -17.387 -23.382 -99.200 -91.000 TRP6 184 1.020 -50.881 -17.400 -22.442 -99.200 -91.000 HIS 192 0.900 -53.147 -29.137 -39.640 -99.200 -91.000 TYR 195 0.840 -53.406 -18.406 -36.117 -99.200 -91.000 HIS 197 0.900 -64.797 -14.856 -36.585 -99.200 -91.000 TRP 202 1.040 -57.319 -23.765 -27.199 -99.200 -91.000 TRP6 202 1.020 -57.517 -26.034 -27.810 -99.200 -91.000 TYR 204 0.840 -64.374 -16.303 -23.240 -99.200 -91.000 TRP 209 1.040 -56.812 -23.074 -16.293 -99.200 -91.000 TRP6 209 1.020 -54.663 -22.269 -15.710 -99.200 -91.000 PHE 214 1.000 -58.395 -15.865 -7.597 -99.200 -91.000 TYR 219 0.840 -51.222 -25.818 -21.419 -99.200 -91.000 TYR 248 0.840 -62.054 -28.146 -15.912 -99.200 -91.000 TRP 255 1.040 -59.393 -24.857 -23.496 -99.200 -91.000 TRP6 255 1.020 -59.243 -25.181 -21.184 -99.200 -91.000 PHE 265 1.000 -65.341 -15.432 -28.882 -99.200 -91.000 PHE 272 1.000 -68.201 -17.877 -18.725 -99.200 -91.000 TYR 282 0.840 -73.962 -21.167 -11.847 -99.200 -91.000 TYR 303 0.840 -63.298 14.243 -27.845 -99.200 -91.000