============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TYR 13 0.840 -3.920 8.626 -2.236 -99.200 -91.000 TYR 18 0.840 4.770 -4.181 -2.742 -99.200 -91.000 TYR 22 0.840 -3.961 -11.935 -8.090 -99.200 -91.000 TYR 29 0.840 -8.328 -11.855 -10.849 -99.200 -91.000 TYR 33 0.840 -9.287 -2.539 -7.957 -99.200 -91.000 PHE 44 1.000 3.933 9.524 -24.248 -99.200 -91.000 PHE 56 1.000 -18.563 -3.850 -14.711 -99.200 -91.000 TYR 57 0.840 -14.010 -0.491 -8.782 -99.200 -91.000 TYR 62 0.840 -0.960 8.217 -15.284 -99.200 -91.000 PHE 73 1.000 14.795 20.805 -26.783 -99.200 -91.000 TYR 87 0.840 8.634 9.974 -12.943 -99.200 -91.000 PHE 90 1.000 2.416 9.848 -13.077 -99.200 -91.000 TYR 104 0.840 -21.223 18.971 -8.878 -99.200 -91.000 TYR 115 0.840 7.305 3.976 -3.985 -99.200 -91.000 TYR 119 0.840 -1.503 -0.907 -12.993 -99.200 -91.000 TYR 122 0.840 -9.169 8.185 -12.033 -99.200 -91.000 TYR 124 0.840 -17.040 1.583 -17.362 -99.200 -91.000 PHE 133 1.000 -12.631 14.636 -33.882 -99.200 -91.000 TYR 136 0.840 -18.089 12.643 -38.556 -99.200 -91.000 PHE 137 1.000 -15.724 16.858 -31.240 -99.200 -91.000 PHE 138 1.000 -18.594 8.839 -33.032 -99.200 -91.000 TYR 144 0.840 -28.828 4.806 -37.457 -99.200 -91.000 PHE 147 1.000 -26.666 17.875 -34.851 -99.200 -91.000 PHE 164 1.000 -14.814 25.098 -15.759 -99.200 -91.000 TYR 166 0.840 -12.990 20.174 -5.310 -99.200 -91.000 HIS 168 0.900 -11.795 27.309 -12.522 -99.200 -91.000 HIS 175 0.900 -9.449 19.738 -17.041 -99.200 -91.000 PHE 196 1.000 -8.850 16.713 -12.703 -99.200 -91.000 TYR 201 0.840 -2.005 22.463 -6.985 -99.200 -91.000 TYR 214 0.840 -1.237 22.284 -30.875 -99.200 -91.000 PHE 216 1.000 -11.636 21.536 -27.476 -99.200 -91.000 PHE 221 1.000 -3.431 29.794 -23.527 -99.200 -91.000 PHE 222 1.000 -3.682 31.665 -30.348 -99.200 -91.000 TYR 228 0.840 -1.747 33.263 -21.102 -99.200 -91.000 TRP 236 1.040 -12.180 31.230 -25.767 -99.200 -91.000 TRP6 236 1.020 -11.426 29.840 -27.525 -99.200 -91.000 TYR 243 0.840 -19.184 26.354 -32.950 -99.200 -91.000 PHE 246 1.000 -25.548 25.319 -28.345 -99.200 -91.000 TYR 247 0.840 -23.553 25.307 -34.295 -99.200 -91.000 PHE 252 1.000 -12.148 30.072 -33.401 -99.200 -91.000 PHE 262 1.000 -2.404 27.632 -33.192 -99.200 -91.000 TYR 272 0.840 -21.855 31.747 -32.449 -99.200 -91.000 HIS 278 0.900 -20.531 24.675 -39.220 -99.200 -91.000 PHE 279 1.000 -21.648 15.767 -38.502 -99.200 -91.000 TYR 281 0.840 -21.209 20.464 -45.631 -99.200 -91.000 PHE 286 1.000 -34.700 24.548 -36.976 -99.200 -91.000 PHE 294 1.000 -25.211 29.912 -20.863 -99.200 -91.000 PHE 298 1.000 -20.313 29.727 -21.221 -99.200 -91.000 HIS 315 0.900 -27.655 34.048 -19.356 -99.200 -91.000 TRP 317 1.040 -29.480 28.986 -22.833 -99.200 -91.000 TRP6 317 1.020 -28.095 27.069 -22.722 -99.200 -91.000 PHE 329 1.000 -28.581 12.244 -24.058 -99.200 -91.000 TYR 334 0.840 -25.708 0.952 -18.889 -99.200 -91.000