============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 10 0.840 -20.767 30.346 18.541 -99.200 -91.000 TRP 22 1.040 -7.735 32.168 7.298 -99.200 -91.000 TRP6 22 1.020 -8.755 32.390 5.170 -99.200 -91.000 TYR 24 0.840 -6.286 33.868 18.400 -99.200 -91.000 PHE 25 1.000 -3.710 31.185 14.882 -99.200 -91.000 TYR 26 0.840 -2.293 33.579 9.596 -99.200 -91.000 PHE 33 1.000 -10.908 36.574 17.299 -99.200 -91.000 PHE 34 1.000 -9.948 37.123 22.282 -99.200 -91.000 TYR 41 0.840 -20.198 40.743 18.526 -99.200 -91.000 TYR 46 0.840 -16.773 39.104 22.135 -99.200 -91.000 PHE 55 1.000 -10.182 17.815 8.635 -99.200 -91.000 PHE 71 1.000 -10.179 35.453 33.227 -99.200 -91.000 PHE 75 1.000 -9.972 33.130 38.595 -99.200 -91.000 PHE 86 1.000 -2.140 23.235 31.021 -99.200 -91.000 TYR 90 0.840 -5.238 21.706 21.110 -99.200 -91.000 TYR 100 0.840 0.736 7.361 33.288 -99.200 -91.000 TYR 105 0.840 -3.740 18.300 29.380 -99.200 -91.000 HIS 113 0.900 -6.679 18.817 41.263 -99.200 -91.000 PHE 121 1.000 -0.057 22.452 46.600 -99.200 -91.000 PHE 122 1.000 8.353 16.076 49.664 -99.200 -91.000 PHE 132 1.000 15.953 33.407 48.642 -99.200 -91.000 PHE 135 1.000 16.862 33.564 39.951 -99.200 -91.000 TYR 139 0.840 18.257 32.947 36.135 -99.200 -91.000 PHE 143 1.000 21.393 39.004 34.287 -99.200 -91.000 PHE 158 1.000 16.640 37.149 29.511 -99.200 -91.000 PHE 167 1.000 16.114 21.077 32.151 -99.200 -91.000 PHE 169 1.000 16.015 28.495 39.758 -99.200 -91.000 PHE 174 1.000 11.462 22.906 40.769 -99.200 -91.000 TYR 175 0.840 13.553 17.498 39.724 -99.200 -91.000 TRP 195 1.040 6.628 16.953 25.103 -99.200 -91.000 TRP6 195 1.020 6.343 18.031 27.196 -99.200 -91.000 PHE 198 1.000 6.162 17.262 16.993 -99.200 -91.000 HIS 201 0.900 0.382 21.435 15.811 -99.200 -91.000 HIS 218 0.900 -2.312 27.981 12.517 -99.200 -91.000 PHE 220 1.000 -5.337 17.033 8.397 -99.200 -91.000 TYR 231 0.840 7.618 12.511 27.356 -99.200 -91.000 TYR 235 0.840 9.825 8.232 32.154 -99.200 -91.000 PHE 237 1.000 17.665 15.962 34.257 -99.200 -91.000 PHE 238 1.000 12.307 16.228 34.372 -99.200 -91.000 HIS 261 0.900 5.500 9.314 31.491 -99.200 -91.000 PHE 265 1.000 2.222 18.996 30.944 -99.200 -91.000 PHE 269 1.000 2.751 22.792 28.320 -99.200 -91.000 TRP 272 1.040 12.972 25.782 30.214 -99.200 -91.000 TRP6 272 1.020 12.238 25.692 27.956 -99.200 -91.000 PHE 279 1.000 12.686 34.691 35.121 -99.200 -91.000 HIS 291 0.900 18.543 54.462 30.938 -99.200 -91.000 HIS 294 0.900 16.050 50.275 33.723 -99.200 -91.000 TYR 328 0.840 2.484 40.943 43.938 -99.200 -91.000 PHE 333 1.000 1.051 46.748 30.165 -99.200 -91.000 TYR 341 0.840 -10.175 27.790 26.049 -99.200 -91.000 HIS 353 0.900 -16.877 45.796 35.116 -99.200 -91.000 PHE 357 1.000 -23.967 39.513 29.026 -99.200 -91.000 TYR 366 0.840 -10.597 32.593 25.379 -99.200 -91.000 TYR 368 0.840 -6.170 38.066 25.215 -99.200 -91.000 PHE 379 1.000