============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 8 1.000 15.729 35.935 11.054 -99.200 -91.000 HIS 12 0.900 13.461 30.075 6.965 -99.200 -91.000 PHE 49 1.000 15.759 14.451 -8.767 -99.200 -91.000 TRP 59 1.040 22.057 25.751 -10.354 -99.200 -91.000 TRP6 59 1.020 21.937 23.545 -9.513 -99.200 -91.000 PHE 61 1.000 22.221 28.845 1.047 -99.200 -91.000 PHE 73 1.000 12.327 15.341 1.457 -99.200 -91.000 PHE 74 1.000 14.560 10.692 -5.042 -99.200 -91.000 HIS 81 0.900 13.052 1.409 1.297 -99.200 -91.000 HIS 83 0.900 20.103 -1.471 -0.370 -99.200 -91.000 HIS 113 0.900 19.305 21.136 2.992 -99.200 -91.000 TRP 117 1.040 15.932 26.589 3.442 -99.200 -91.000 TRP6 117 1.020 18.197 25.929 3.649 -99.200 -91.000 TYR 128 0.840 12.943 11.619 4.194 -99.200 -91.000 HIS 136 0.900 -0.884 16.568 10.679 -99.200 -91.000 PHE 159 1.000 27.302 38.682 25.603 -99.200 -91.000 PHE 168 1.000 18.874 42.206 30.796 -99.200 -91.000 TYR 178 0.840 10.072 37.701 18.027 -99.200 -91.000 TYR 188 0.840 0.352 21.485 14.069 -99.200 -91.000 TYR 190 0.840 1.382 14.762 24.190 -99.200 -91.000 PHE 192 1.000 -3.406 19.010 14.740 -99.200 -91.000 PHE 198 1.000 9.232 10.217 15.202 -99.200 -91.000 TYR 199 0.840 10.309 3.003 17.713 -99.200 -91.000 PHE 205 1.000 11.154 6.436 5.038 -99.200 -91.000 TYR 206 0.840 13.036 11.363 9.905 -99.200 -91.000 TYR 216 0.840 28.732 14.545 6.775 -99.200 -91.000 PHE 227 1.000 23.378 23.696 18.381 -99.200 -91.000 HIS 231 0.900 28.108 28.250 23.210 -99.200 -91.000 TRP 234 1.040 20.927 28.011 29.336 -99.200 -91.000 TRP6 234 1.020 21.970 25.922 29.795 -99.200 -91.000 TYR 243 0.840 25.131 22.763 27.427 -99.200 -91.000 PHE 246 1.000 22.254 18.913 22.610 -99.200 -91.000 TYR 250 0.840 22.681 17.478 17.509 -99.200 -91.000 TYR 253 0.840 24.567 17.535 11.020 -99.200 -91.000 TYR 258 0.840 21.273 31.204 12.796 -99.200 -91.000 TYR 262 0.840 28.882 26.563 19.960 -99.200 -91.000 PHE 265 1.000 27.907 36.027 21.832 -99.200 -91.000 HIS 288 0.900 15.113 51.178 34.980 -99.200 -91.000 PHE 300 1.000 17.422 31.087 31.916 -99.200 -91.000 PHE 306 1.000 11.715 22.637 23.087 -99.200 -91.000 HIS 310 0.900 11.853 17.428 22.628 -99.200 -91.000 TYR 318 0.840 12.976 7.264 20.217 -99.200 -91.000 TYR 327 0.840 23.449 13.112 22.350 -99.200 -91.000 TYR 340 0.840 13.203 22.053 35.764 -99.200 -91.000