============================================================================= 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. TYR 5 0.840 8.210 6.313 33.096 -99.200 -91.000 TRP 10 1.040 15.283 -4.388 25.100 -99.200 -91.000 TRP6 10 1.020 17.098 -3.521 26.320 -99.200 -91.000 HIS 11 0.900 18.383 -2.485 17.629 -99.200 -91.000 TYR 17 0.840 27.264 -14.713 24.435 -99.200 -91.000 TYR 22 0.840 25.924 -8.566 25.240 -99.200 -91.000 PHE 43 1.000 25.577 -18.840 39.506 -99.200 -91.000 TYR 59 0.840 37.661 -4.152 26.900 -99.200 -91.000 PHE 76 1.000 19.070 -11.086 39.255 -99.200 -91.000 PHE 88 1.000 28.887 -11.997 35.996 -99.200 -91.000 TYR 105 0.840 11.269 -17.879 44.232 -99.200 -91.000 HIS 111 0.900 20.260 -11.479 48.444 -99.200 -91.000 HIS 114 0.900 19.956 -7.949 45.086 -99.200 -91.000 PHE 126 1.000 14.955 -9.096 46.504 -99.200 -91.000 PHE 136 1.000 31.859 -20.376 54.026 -99.200 -91.000 TRP 140 1.040 33.569 -7.543 47.239 -99.200 -91.000 TRP6 140 1.020 34.631 -8.294 45.253 -99.200 -91.000 TYR 144 0.840 28.808 -3.786 48.069 -99.200 -91.000 TRP 157 1.040 25.418 -13.814 54.485 -99.200 -91.000 TRP6 157 1.020 25.682 -15.471 52.822 -99.200 -91.000 PHE 158 1.000 25.187 -15.430 61.762 -99.200 -91.000 TYR 163 0.840 14.787 -11.574 54.887 -99.200 -91.000 TRP 189 1.040 14.917 4.033 38.633 -99.200 -91.000 TRP6 189 1.020 15.873 4.037 40.788 -99.200 -91.000 PHE 226 1.000 49.315 14.246 35.202 -99.200 -91.000 TYR 227 0.840 48.644 8.925 30.763 -99.200 -91.000 PHE 238 1.000 59.298 8.701 22.592 -99.200 -91.000 PHE 246 1.000 56.666 17.351 33.643 -99.200 -91.000 PHE 249 1.000 52.605 22.002 31.850 -99.200 -91.000