============================================================================= 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. TRP 11 1.040 14.894 63.254 -21.749 -99.200 -91.000 TRP6 11 1.020 13.782 64.901 -20.456 -99.200 -91.000 TYR 29 0.840 36.142 44.015 -6.227 -99.200 -91.000 TYR 33 0.840 24.547 49.190 -14.790 -99.200 -91.000 HIS 37 0.900 32.413 51.886 -29.089 -99.200 -91.000 HIS 41 0.900 34.318 59.868 -15.306 -99.200 -91.000 HIS 53 0.900 34.255 58.333 -25.426 -99.200 -91.000 TYR 109 0.840 31.336 40.894 -37.790 -99.200 -91.000 HIS 110 0.900 28.942 42.975 -34.709 -99.200 -91.000 TYR 137 0.840 23.566 45.788 -26.511 -99.200 -91.000 PHE 152 1.000 39.778 31.977 -22.187 -99.200 -91.000 PHE 157 1.000 37.393 35.434 -33.205 -99.200 -91.000 TYR 167 0.840 22.353 37.078 -41.429 -99.200 -91.000 HIS 168 0.900 26.354 40.253 -39.434 -99.200 -91.000 PHE 170 1.000 22.300 37.480 -49.480 -99.200 -91.000 TYR 175 0.840 17.705 46.031 -47.300 -99.200 -91.000 TYR 176 0.840 21.620 47.588 -45.179 -99.200 -91.000 TYR 183 0.840 37.585 35.098 -42.384 -99.200 -91.000 PHE 217 1.000 32.207 50.355 1.753 -99.200 -91.000 PHE 220 1.000 27.016 46.690 -8.990 -99.200 -91.000 HIS 232 0.900 10.640 49.577 -18.509 -99.200 -91.000 TYR 235 0.840 9.809 52.467 -29.572 -99.200 -91.000 TYR 237 0.840 11.386 61.202 -31.419 -99.200 -91.000 TYR 258 0.840 22.701 38.960 -2.977 -99.200 -91.000 TYR 261 0.840 22.030 55.472 -1.537 -99.200 -91.000 TYR 269 0.840 20.077 73.587 -16.064 -99.200 -91.000 PHE 278 1.000 13.468 69.531 -22.456 -99.200 -91.000 PHE 283 1.000 9.671 76.099 -27.409 -99.200 -91.000 PHE 289 1.000 19.569 83.486 -16.412 -99.200 -91.000 PHE 297 1.000 29.144 77.022 -24.096 -99.200 -91.000 TRP 309 1.040 10.606 76.834 -15.489 -99.200 -91.000 TRP6 309 1.020 12.435 78.048 -14.610 -99.200 -91.000 PHE 327 1.000 15.922 62.606 -6.752 -99.200 -91.000 TYR 347 0.840 4.056 66.110 -18.059 -99.200 -91.000 TRP 365 1.040 5.577 61.475 -24.795 -99.200 -91.000 TRP6 365 1.020 6.059 62.500 -22.700 -99.200 -91.000 TYR 372 0.840 5.946 74.794 -16.376 -99.200 -91.000 TRP 378 1.040 19.061 80.904 -5.518 -99.200 -91.000 TRP6 378 1.020 17.411 79.311 -6.094 -99.200 -91.000 PHE 383 1.000 31.185 77.331 -9.492 -99.200 -91.000 TYR 398 0.840 14.548 74.275 -7.512 -99.200 -91.000 PHE 429 1.000 30.351 53.072 -1.885 -99.200 -91.000