============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 8 1.040 18.834 14.530 -7.029 -99.200 -91.000 TRP6 8 1.020 17.705 12.625 -7.815 -99.200 -91.000 PHE 12 1.000 19.200 12.472 1.656 -99.200 -91.000 PHE 21 1.000 13.515 11.097 -3.879 -99.200 -91.000 TYR 43 0.840 18.068 0.960 5.753 -99.200 -91.000 PHE 49 1.000 4.129 -6.697 4.908 -99.200 -91.000 HIS 67 0.900 -17.402 0.647 -1.229 -99.200 -91.000 PHE 70 1.000 -10.602 -3.319 7.700 -99.200 -91.000 TRP 72 1.040 -11.890 0.726 19.357 -99.200 -91.000 TRP6 72 1.020 -12.915 2.249 20.829 -99.200 -91.000 TRP 82 1.040 -3.913 4.062 14.779 -99.200 -91.000 TRP6 82 1.020 -2.056 2.937 15.697 -99.200 -91.000 PHE 100 1.000 -3.601 -2.689 6.947 -99.200 -91.000 TYR 115 0.840 -1.171 -14.059 -1.914 -99.200 -91.000 PHE 119 1.000 2.231 -9.392 -3.614 -99.200 -91.000 TYR 121 0.840 7.494 -5.934 0.646 -99.200 -91.000 PHE 133 1.000 5.332 -10.125 8.448 -99.200 -91.000 TRP 134 1.040 4.109 -4.609 9.697 -99.200 -91.000 TRP6 134 1.020 2.669 -6.388 10.215 -99.200 -91.000 PHE 149 1.000 4.697 -4.176 -3.548 -99.200 -91.000 TYR 154 0.840 1.415 3.862 -13.046 -99.200 -91.000 TYR 180 0.840 1.955 16.859 -8.590 -99.200 -91.000 HIS 183 0.900 -2.235 6.506 -6.681 -99.200 -91.000 PHE 188 1.000 9.438 7.325 13.483 -99.200 -91.000 TRP 201 1.040 10.965 2.469 4.942 -99.200 -91.000 TRP6 201 1.020 12.064 1.846 2.959 -99.200 -91.000 TRP 202 1.040 5.901 10.084 1.535 -99.200 -91.000 TRP6 202 1.020 6.073 12.093 0.335 -99.200 -91.000 TRP 205 1.040 1.814 5.821 -8.562 -99.200 -91.000 TRP6 205 1.020 1.441 3.824 -7.406 -99.200 -91.000 TYR 213 0.840 8.627 12.378 -12.994 -99.200 -91.000 PHE 214 1.000 6.541 3.999 -11.276 -99.200 -91.000 PHE 215 1.000 7.483 9.297 -3.660 -99.200 -91.000 PHE 217 1.000 13.864 10.393 2.678 -99.200 -91.000