============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 13 0.840 -5.762 32.754 74.318 -99.200 -91.000 TYR 16 0.840 -9.904 26.152 87.777 -99.200 -91.000 TYR 24 0.840 -14.484 15.845 91.152 -99.200 -91.000 PHE 29 1.000 -9.024 22.616 83.262 -99.200 -91.000 TYR 32 0.840 -9.039 30.075 69.956 -99.200 -91.000 PHE 46 1.000 -6.069 14.555 69.890 -99.200 -91.000 TYR 48 0.840 -9.383 16.437 74.612 -99.200 -91.000 TYR 58 0.840 1.839 31.185 79.071 -99.200 -91.000 TRP 67 1.040 14.455 25.349 77.617 -99.200 -91.000 TRP6 67 1.020 13.311 27.188 76.649 -99.200 -91.000 HIS 77 0.900 9.532 12.524 74.944 -99.200 -91.000 TYR 90 0.840 17.062 31.438 67.442 -99.200 -91.000 PHE 98 1.000 6.028 26.464 69.700 -99.200 -91.000 PHE 102 1.000 -3.452 28.184 68.734 -99.200 -91.000 TYR 111 0.840 -0.827 55.495 78.684 -99.200 -91.000 TYR 131 0.840 8.715 52.359 78.630 -99.200 -91.000 PHE 142 1.000 10.660 42.698 69.761 -99.200 -91.000 PHE 143 1.000 9.877 45.785 74.062 -99.200 -91.000 TYR 151 0.840 11.105 48.222 68.981 -99.200 -91.000 TRP 155 1.040 16.623 44.805 78.199 -99.200 -91.000 TRP6 155 1.020 15.038 43.621 79.498 -99.200 -91.000 PHE 157 1.000 11.198 53.271 82.341 -99.200 -91.000 TYR 182 0.840 3.082 49.416 83.944 -99.200 -91.000 TYR 193 0.840 -10.887 38.372 77.258 -99.200 -91.000 TYR 213 0.840 -0.835 33.409 71.227 -99.200 -91.000 TYR 223 0.840 -0.483 12.192 68.321 -99.200 -91.000 HIS 241 0.900 -13.718 35.518 61.561 -99.200 -91.000 TRP 247 1.040 -14.253 30.694 73.314 -99.200 -91.000 TRP6 247 1.020 -15.211 30.226 75.459 -99.200 -91.000 TRP 248 1.040 -10.141 37.837 71.650 -99.200 -91.000 TRP6 248 1.020 -9.447 35.568 71.827 -99.200 -91.000