============================================================================= 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 5 1.000 32.937 -11.846 3.434 -99.200 -91.000 PHE 17 1.000 30.368 2.586 18.478 -99.200 -91.000 HIS 20 0.900 42.584 -1.925 15.024 -99.200 -91.000 TRP 26 1.040 28.761 -9.021 -4.223 -99.200 -91.000 TRP6 26 1.020 26.762 -8.687 -5.450 -99.200 -91.000 TRP 31 1.040 30.798 -11.167 -1.269 -99.200 -91.000 TRP6 31 1.020 30.070 -9.459 0.220 -99.200 -91.000 PHE 39 1.000 34.336 3.387 14.956 -99.200 -91.000 HIS 45 0.900 26.396 8.561 -5.600 -99.200 -91.000 HIS 52 0.900 18.280 8.182 -1.632 -99.200 -91.000 TYR 53 0.840 14.496 3.795 -3.123 -99.200 -91.000 PHE 58 1.000 19.867 -4.422 13.738 -99.200 -91.000 PHE 64 1.000 28.533 -13.382 26.869 -99.200 -91.000 PHE 74 1.000 24.493 -18.178 23.990 -99.200 -91.000 TRP 77 1.040 28.823 -21.877 14.552 -99.200 -91.000 TRP6 77 1.020 29.045 -22.315 16.876 -99.200 -91.000 PHE 94 1.000 26.781 -13.020 4.707 -99.200 -91.000 TRP 113 1.040 39.571 -1.537 22.597 -99.200 -91.000 TRP6 113 1.020 38.510 0.510 23.197 -99.200 -91.000 PHE 145 1.000 28.786 -0.620 8.655 -99.200 -91.000 TYR 154 0.840 18.663 -4.398 30.026 -99.200 -91.000 PHE 155 1.000 18.435 -6.925 34.858 -99.200 -91.000 PHE 171 1.000 0.953 3.237 19.509 -99.200 -91.000 TRP 175 1.040 3.170 -6.342 7.473 -99.200 -91.000 TRP6 175 1.020 4.285 -4.375 8.215 -99.200 -91.000 TYR 182 0.840 13.266 -12.556 6.736 -99.200 -91.000 TYR 188 0.840 14.803 -3.617 14.700 -99.200 -91.000 TRP 208 1.040 6.664 -4.026 19.844 -99.200 -91.000 TRP6 208 1.020 5.955 -2.060 18.706 -99.200 -91.000 TYR 210 0.840 -0.130 -10.044 13.420 -99.200 -91.000 HIS 214 0.900 -6.561 -6.504 21.118 -99.200 -91.000 PHE 225 1.000 11.071 -17.701 25.918 -99.200 -91.000 TYR 227 0.840 7.765 -21.834 35.011 -99.200 -91.000 TRP 228 1.040 0.865 -20.303 30.569 -99.200 -91.000 TRP6 228 1.020 -0.560 -18.669 29.594 -99.200 -91.000 HIS 230 0.900 -2.747 -23.330 27.798 -99.200 -91.000 TRP 262 1.040 16.902 -27.599 32.266 -99.200 -91.000 TRP6 262 1.020 15.979 -25.488 32.830 -99.200 -91.000 PHE 265 1.000 9.707 -26.000 32.730 -99.200 -91.000 PHE 290 1.000 11.230 -15.963 30.932 -99.200 -91.000 HIS 302 0.900 6.966 -3.996 37.868 -99.200 -91.000 TYR 306 0.840 -5.614 -5.490 26.543 -99.200 -91.000 HIS 312 0.900 2.173 -7.127 40.387 -99.200 -91.000 PHE 326 1.000 15.054 -20.610 30.948 -99.200 -91.000 TYR 335 0.840 30.396 -13.803 31.757 -99.200 -91.000 HIS 340 0.900 26.368 -26.342 26.237 -99.200 -91.000 TRP 342 1.040 24.166 -24.344 22.742 -99.200 -91.000 TRP6 342 1.020 22.561 -23.795 24.409 -99.200 -91.000 PHE 344 1.000 34.241 -19.568 16.320 -99.200 -91.000