============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 10 1.040 18.494 -25.916 24.313 -99.200 -91.000 TRP6 10 1.020 16.269 -26.266 23.589 -99.200 -91.000 TYR 15 0.840 34.994 -21.644 34.480 -99.200 -91.000 TYR 42 0.840 28.638 -21.169 45.684 -99.200 -91.000 TRP 66 1.040 14.801 -42.335 60.538 -99.200 -91.000 TRP6 66 1.020 14.747 -44.574 61.289 -99.200 -91.000 PHE 80 1.000 20.641 -47.453 50.814 -99.200 -91.000 TYR 111 0.840 29.179 -30.465 61.637 -99.200 -91.000 PHE 119 1.000 22.744 -26.192 53.554 -99.200 -91.000 TYR 126 0.840 26.890 -18.362 49.625 -99.200 -91.000 PHE 137 1.000 18.288 -23.380 45.006 -99.200 -91.000 HIS 141 0.900 15.073 -32.574 50.455 -99.200 -91.000 PHE 149 1.000 10.571 -19.954 41.264 -99.200 -91.000 HIS 164 0.900 36.021 -17.905 39.877 -99.200 -91.000 TYR 170 0.840 33.284 -29.048 38.631 -99.200 -91.000 HIS 173 0.900 29.873 -31.656 42.444 -99.200 -91.000 PHE 178 1.000 30.413 -42.158 49.423 -99.200 -91.000 PHE 180 1.000 28.153 -44.598 54.161 -99.200 -91.000 TRP 193 1.040 31.968 -44.512 34.044 -99.200 -91.000 TRP6 193 1.020 30.426 -43.699 35.642 -99.200 -91.000 TYR 212 0.840 14.086 -39.282 33.521 -99.200 -91.000 PHE 239 1.000 22.897 -39.290 31.902 -99.200 -91.000 TRP 248 1.040 26.415 -26.977 17.411 -99.200 -91.000 TRP6 248 1.020 26.140 -24.946 18.569 -99.200 -91.000 PHE 250 1.000 34.316 -28.804 24.527 -99.200 -91.000 PHE 252 1.000 29.820 -26.924 13.973 -99.200 -91.000 PHE 253 1.000 30.110 -21.523 18.473 -99.200 -91.000 PHE 265 1.000 40.945 -2.067 24.502 -99.200 -91.000 TRP 271 1.040 40.326 16.066 33.172 -99.200 -91.000 TRP6 271 1.020 41.224 18.140 32.490 -99.200 -91.000 PHE 272 1.000 40.414 19.029 38.300 -99.200 -91.000 TYR 302 0.840 38.678 2.893 23.747 -99.200 -91.000 PHE 324 1.000 36.312 -8.563 23.408 -99.200 -91.000