============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 6 1.000 25.605 46.904 46.301 -99.200 -91.000 HIS 12 0.900 17.489 57.045 48.911 -99.200 -91.000 PHE 13 1.000 22.688 50.420 50.867 -99.200 -91.000 TYR 32 0.840 33.221 56.351 43.702 -99.200 -91.000 PHE 33 1.000 26.910 51.626 46.390 -99.200 -91.000 PHE 49 1.000 29.163 39.528 50.923 -99.200 -91.000 HIS 54 0.900 26.534 54.602 53.718 -99.200 -91.000 PHE 62 1.000 29.077 56.528 58.753 -99.200 -91.000 TRP 77 1.040 21.637 42.758 41.125 -99.200 -91.000 TRP6 77 1.020 23.113 40.994 41.644 -99.200 -91.000 TYR 84 0.840 23.836 48.203 59.676 -99.200 -91.000 TRP 118 1.040 41.718 50.659 60.144 -99.200 -91.000 TRP6 118 1.020 41.439 49.218 58.293 -99.200 -91.000 TRP 125 1.040 46.645 49.115 54.765 -99.200 -91.000 TRP6 125 1.020 46.548 46.776 55.083 -99.200 -91.000 TYR 128 0.840 47.201 55.199 61.572 -99.200 -91.000 TRP 137 1.040 43.391 45.554 61.682 -99.200 -91.000 TRP6 137 1.020 43.861 43.666 63.019 -99.200 -91.000 TYR 142 0.840 29.429 40.771 60.834 -99.200 -91.000 PHE 151 1.000 25.796 37.538 54.575 -99.200 -91.000 HIS 159 0.900 42.810 42.151 68.092 -99.200 -91.000 PHE 188 1.000 38.147 34.689 54.405 -99.200 -91.000 PHE 206 1.000 48.153 29.841 53.493 -99.200 -91.000 TYR 208 0.840 46.293 26.867 58.479 -99.200 -91.000 TRP 215 1.040 39.349 31.799 60.923 -99.200 -91.000 TRP6 215 1.020 39.212 31.416 58.588 -99.200 -91.000 TYR 221 0.840 55.594 36.771 57.811 -99.200 -91.000 PHE 225 1.000 56.200 41.228 44.576 -99.200 -91.000 PHE 234 1.000 48.277 23.557 38.414 -99.200 -91.000 PHE 251 1.000 56.850 35.309 44.296 -99.200 -91.000 PHE 256 1.000 47.965 24.885 54.523 -99.200 -91.000 TRP 260 1.040 54.441 32.024 50.202 -99.200 -91.000 TRP6 260 1.020 52.380 31.672 49.097 -99.200 -91.000 PHE 263 1.000 51.856 28.441 38.902 -99.200 -91.000 HIS 275 0.900 49.875 55.092 40.186 -99.200 -91.000 HIS 294 0.900 44.182 38.362 36.706 -99.200 -91.000 TYR 304 0.840 46.373 55.925 41.681 -99.200 -91.000 TYR 312 0.840 44.047 39.916 30.614 -99.200 -91.000 HIS 314 0.900 47.099 34.167 33.770 -99.200 -91.000 TYR 317 0.840 47.732 21.801 32.972 -99.200 -91.000 PHE 327 1.000 35.364 42.259 32.996 -99.200 -91.000 TYR 328 0.840 33.524 49.963 33.016 -99.200 -91.000 TYR 339 0.840 40.543 47.598 43.976 -99.200 -91.000 TYR 344 0.840 33.273 27.019 36.934 -99.200 -91.000 TYR 354 0.840 26.636 34.156 37.357 -99.200 -91.000 TYR 357 0.840 31.944 45.537 35.305 -99.200 -91.000 PHE 365 1.000 25.834 39.141 37.277 -99.200 -91.000 HIS 371 0.900 33.382 35.826 26.773 -99.200 -91.000 TYR 378 0.840 45.035 29.993 26.359 -99.200 -91.000