============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 13 1.000 20.829 -15.117 75.234 -99.200 -91.000 HIS 29 0.900 30.703 -7.171 79.266 -99.200 -91.000 PHE 35 1.000 17.768 -14.285 78.556 -99.200 -91.000 TYR 67 0.840 19.413 3.870 77.190 -99.200 -91.000 TYR 74 0.840 22.290 1.748 87.659 -99.200 -91.000 PHE 77 1.000 16.533 -6.593 86.113 -99.200 -91.000 PHE 81 1.000 21.876 -1.842 84.820 -99.200 -91.000 TYR 88 0.840 30.668 4.288 78.445 -99.200 -91.000 HIS 89 0.900 31.437 4.580 83.845 -99.200 -91.000 PHE 92 1.000 33.374 1.630 89.937 -99.200 -91.000 HIS 98 0.900 31.697 7.913 92.653 -99.200 -91.000 TRP 103 1.040 28.664 19.800 97.102 -99.200 -91.000 TRP6 103 1.020 28.135 19.118 94.904 -99.200 -91.000 PHE 118 1.000 46.553 30.933 76.521 -99.200 -91.000 TYR 133 0.840 8.408 11.057 91.429 -99.200 -91.000 PHE 135 1.000 16.549 5.953 87.567 -99.200 -91.000 TYR 144 0.840 7.664 11.092 82.092 -99.200 -91.000 TYR 166 0.840 9.414 23.909 84.716 -99.200 -91.000 TYR 167 0.840 10.944 29.997 80.073 -99.200 -91.000 HIS 184 0.900 22.787 28.049 70.611 -99.200 -91.000 PHE 185 1.000 19.772 28.736 77.988 -99.200 -91.000 PHE 187 1.000 14.100 18.815 77.389 -99.200 -91.000 PHE 193 1.000 20.982 4.242 68.908 -99.200 -91.000 TYR 202 0.840 3.129 7.533 78.958 -99.200 -91.000 TRP 203 1.040 8.308 15.319 74.074 -99.200 -91.000 TRP6 203 1.020 10.360 14.797 75.109 -99.200 -91.000 PHE 210 1.000 14.897 27.846 87.200 -99.200 -91.000 HIS 211 0.900 16.430 31.103 81.034 -99.200 -91.000 PHE 217 1.000 20.670 26.334 88.041 -99.200 -91.000 TRP 220 1.040 17.797 21.116 79.049 -99.200 -91.000 TRP6 220 1.020 18.919 19.982 77.311 -99.200 -91.000 HIS 226 0.900 13.758 10.794 88.021 -99.200 -91.000 TYR 242 0.840 32.821 22.395 92.173 -99.200 -91.000 PHE 258 1.000 19.427 15.636 94.463 -99.200 -91.000 HIS 260 0.900 25.415 8.317 97.085 -99.200 -91.000 PHE 264 1.000 27.176 0.201 90.325 -99.200 -91.000 PHE 266 1.000 24.973 12.081 94.001 -99.200 -91.000 PHE 269 1.000 17.204 6.530 80.161 -99.200 -91.000 HIS 283 0.900 34.610 26.320 72.384 -99.200 -91.000 PHE 303 1.000 47.354 17.642 85.047 -99.200 -91.000 TYR 312 0.840 42.378 21.077 70.576 -99.200 -91.000 TYR 325 0.840 38.965 19.940 95.955 -99.200 -91.000