============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. TRP 30 1.040 8.599 9.737 32.877 -99.200 -91.000 TRP6 30 1.020 10.758 10.565 33.416 -99.200 -91.000 HIS 39 0.900 12.165 1.722 15.496 -99.200 -91.000 PHE 45 1.000 1.676 -2.701 29.073 -99.200 -91.000 PHE 49 1.000 12.280 -0.668 39.007 -99.200 -91.000 TYR 55 0.840 8.278 4.548 31.134 -99.200 -91.000 PHE 57 1.000 13.551 5.446 26.664 -99.200 -91.000 TYR 69 0.840 31.244 21.395 17.078 -99.200 -91.000 PHE 80 1.000 9.349 8.344 28.572 -99.200 -91.000 TYR 82 0.840 10.091 14.213 37.112 -99.200 -91.000 TYR 84 0.840 5.733 17.452 31.525 -99.200 -91.000 PHE 90 1.000 2.842 29.022 29.743 -99.200 -91.000 TYR 98 0.840 1.931 28.425 24.825 -99.200 -91.000 TYR 108 0.840 12.996 23.808 29.060 -99.200 -91.000 HIS 109 0.900 13.480 28.386 30.827 -99.200 -91.000 HIS 110 0.900 6.783 30.530 31.578 -99.200 -91.000 TYR 123 0.840 18.316 14.787 40.572 -99.200 -91.000 PHE 125 1.000 19.168 6.641 36.355 -99.200 -91.000 TYR 128 0.840 16.642 -6.109 31.896 -99.200 -91.000 PHE 141 1.000 22.879 4.667 31.763 -99.200 -91.000 TRP 144 1.040 20.617 14.749 37.002 -99.200 -91.000 TRP6 144 1.020 21.555 12.597 36.592 -99.200 -91.000 HIS 145 0.900 20.137 19.950 28.223 -99.200 -91.000 PHE 168 1.000 15.071 35.983 21.477 -99.200 -91.000 PHE 176 1.000 16.889 30.653 9.759 -99.200 -91.000 PHE 177 1.000 17.979 34.415 17.062 -99.200 -91.000 HIS 183 0.900 23.701 32.766 10.419 -99.200 -91.000 TYR 205 0.840 10.481 34.661 6.975 -99.200 -91.000 TRP 213 1.040 21.794 41.173 17.197 -99.200 -91.000 TRP6 213 1.020 21.353 42.151 19.295 -99.200 -91.000 TYR 220 0.840 30.439 20.245 25.939 -99.200 -91.000 PHE 225 1.000 24.820 8.363 36.346 -99.200 -91.000 PHE 227 1.000 26.547 1.480 29.034 -99.200 -91.000 PHE 232 1.000 28.129 3.614 34.354 -99.200 -91.000 TYR 233 0.840 30.528 8.477 29.552 -99.200 -91.000 TRP 242 1.040 25.735 36.727 32.818 -99.200 -91.000 TRP6 242 1.020 24.277 35.620 34.300 -99.200 -91.000 TYR 267 0.840 35.709 32.473 31.037 -99.200 -91.000 TYR 274 0.840 32.292 3.767 38.526 -99.200 -91.000 PHE 278 1.000 28.846 -2.904 27.161 -99.200 -91.000 PHE 281 1.000 26.016 -0.780 33.631 -99.200 -91.000 TRP 286 1.040 14.498 -4.055 35.929 -99.200 -91.000 TRP6 286 1.020 14.289 -2.085 34.631 -99.200 -91.000 PHE 289 1.000 23.515 3.572 37.800 -99.200 -91.000 HIS 292 0.900 22.830 15.244 47.774 -99.200 -91.000 TRP 295 1.040 22.083 20.885 40.822 -99.200 -91.000 TRP6 295 1.020 22.873 19.938 38.802 -99.200 -91.000 TYR 298 0.840 28.555 27.639 38.115 -99.200 -91.000 TYR 317 0.840 25.331 -4.749 40.630 -99.200 -91.000 HIS 321 0.900 29.523 5.929 48.574 -99.200 -91.000 TYR 338 0.840 21.837 23.078 36.946 -99.200 -91.000 TYR 339 0.840 15.715 19.552 30.855 -99.200 -91.000 PHE 340 1.000 16.835 11.556 35.134 -99.200 -91.000 PHE 342 1.000 14.022 7.308 32.577 -99.200 -91.000 TYR 345 0.840 22.313 13.841 22.969 -99.200 -91.000 TYR 356 0.840 19.889 2.359 26.940 -99.200 -91.000 TYR 361 0.840 13.525 11.025 37.784 -99.200 -91.000