============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 5 0.840 1.059 11.284 -24.347 -99.200 -91.000 PHE 23 1.000 -1.259 -15.467 -7.443 -99.200 -91.000 TYR 33 0.840 12.211 -11.512 -18.517 -99.200 -91.000 TYR 43 0.840 -4.643 -16.955 -16.631 -99.200 -91.000 PHE 47 1.000 -12.138 -17.772 -9.938 -99.200 -91.000 PHE 49 1.000 -14.498 -14.341 -13.237 -99.200 -91.000 TRP 59 1.040 -15.495 -7.012 2.773 -99.200 -91.000 TRP6 59 1.020 -14.648 -6.419 4.901 -99.200 -91.000 PHE 86 1.000 -4.009 -14.327 -12.226 -99.200 -91.000 HIS 95 0.900 11.433 1.629 -17.535 -99.200 -91.000 TRP 130 1.040 -1.315 -1.327 -26.071 -99.200 -91.000 TRP6 130 1.020 -1.172 -2.947 -27.794 -99.200 -91.000 HIS 133 0.900 -8.496 -5.167 -28.104 -99.200 -91.000 PHE 137 1.000 -16.250 -9.960 -14.056 -99.200 -91.000 PHE 151 1.000 -15.417 -6.551 -5.152 -99.200 -91.000 HIS 162 0.900 8.075 7.962 -18.200 -99.200 -91.000 HIS 163 0.900 6.327 9.190 -22.518 -99.200 -91.000 TYR 168 0.840 -9.360 -0.582 -29.651 -99.200 -91.000 TYR 170 0.840 -17.641 -4.525 -21.194 -99.200 -91.000 TYR 172 0.840 -18.784 -6.416 -16.974 -99.200 -91.000 TYR 174 0.840 -13.361 -2.417 -10.818 -99.200 -91.000 TYR 182 0.840 0.103 8.419 -3.430 -99.200 -91.000 TYR 196 0.840 -6.651 6.889 -19.105 -99.200 -91.000 HIS 197 0.900 -6.699 4.198 -28.447 -99.200 -91.000 HIS 198 0.900 -10.976 3.549 -30.649 -99.200 -91.000 PHE 201 1.000 -13.604 3.914 -19.418 -99.200 -91.000 PHE 213 1.000 -0.005 16.559 -8.967 -99.200 -91.000 HIS 217 0.900 -5.619 12.203 -27.639 -99.200 -91.000 TYR 219 0.840 -7.824 8.577 -29.430 -99.200 -91.000 TYR 222 0.840 -21.273 3.321 -24.890 -99.200 -91.000 PHE 223 1.000 -16.368 8.181 -20.657 -99.200 -91.000 TYR 245 0.840 -22.666 7.516 -28.290 -99.200 -91.000 PHE 246 1.000 -18.148 12.073 -22.452 -99.200 -91.000 TYR 263 0.840 -6.642 24.457 -15.152 -99.200 -91.000 TRP 264 1.040 -12.791 20.800 -19.068 -99.200 -91.000 TRP6 264 1.020 -13.054 20.426 -16.750 -99.200 -91.000 TYR 270 0.840 -23.852 11.167 -30.021 -99.200 -91.000 TRP 277 1.040 -23.907 18.487 -16.112 -99.200 -91.000 TRP6 277 1.020 -21.577 18.220 -16.409 -99.200 -91.000 TYR 286 0.840 -18.512 22.959 -8.066 -99.200 -91.000 TRP 292 1.040 -20.868 18.897 -22.836 -99.200 -91.000 TRP6 292 1.020 -19.630 16.926 -22.435 -99.200 -91.000 PHE 298 1.000 -2.330 17.638 -24.538 -99.200 -91.000 TYR 304 0.840 -0.363 10.208 -29.113 -99.200 -91.000 TYR 306 0.840 -5.131 11.689 -32.284 -99.200 -91.000