============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. PHE 6 1.000 37.743 28.367 93.757 -99.200 -91.000 PHE 14 1.000 31.312 30.086 73.879 -99.200 -91.000 PHE 34 1.000 14.646 22.863 71.669 -99.200 -91.000 HIS 37 0.900 8.388 13.493 81.313 -99.200 -91.000 TYR 38 0.840 15.231 16.272 80.594 -99.200 -91.000 TYR 41 0.840 18.268 10.924 91.543 -99.200 -91.000 TRP 46 1.040 16.847 9.611 86.900 -99.200 -91.000 TRP6 46 1.020 16.800 11.975 86.815 -99.200 -91.000 TRP 84 1.040 13.940 14.370 107.726 -99.200 -91.000 TRP6 84 1.020 15.476 15.371 109.223 -99.200 -91.000 PHE 87 1.000 21.070 14.539 109.184 -99.200 -91.000 TRP 90 1.040 25.445 13.392 103.056 -99.200 -91.000 TRP6 90 1.020 27.014 12.660 101.440 -99.200 -91.000 TRP 93 1.040 28.899 8.828 103.585 -99.200 -91.000 TRP6 93 1.020 29.689 8.758 101.359 -99.200 -91.000 TYR 122 0.840 18.820 25.940 71.509 -99.200 -91.000 TRP 128 1.040 26.291 31.144 71.515 -99.200 -91.000 TRP6 128 1.020 27.788 30.367 69.857 -99.200 -91.000 PHE 141 1.000 27.987 29.148 93.915 -99.200 -91.000 TYR 144 0.840 35.078 29.067 98.386 -99.200 -91.000 TYR 145 0.840 29.587 26.591 98.489 -99.200 -91.000 TYR 152 0.840 32.900 25.590 108.421 -99.200 -91.000 TYR 154 0.840 35.544 14.524 116.120 -99.200 -91.000 TYR 162 0.840 38.097 23.551 134.598 -99.200 -91.000 PHE 170 1.000 31.401 16.880 118.185 -99.200 -91.000 TYR 171 0.840 31.501 24.322 113.691 -99.200 -91.000 TRP 183 1.040 12.923 33.056 86.406 -99.200 -91.000 TRP6 183 1.020 13.964 34.713 85.071 -99.200 -91.000 PHE 185 1.000 23.245 34.205 86.701 -99.200 -91.000 PHE 190 1.000 18.525 22.800 90.929 -99.200 -91.000 PHE 220 1.000 18.787 16.775 91.806 -99.200 -91.000 PHE 223 1.000 23.798 17.601 92.120 -99.200 -91.000 HIS 224 0.900 21.732 7.870 89.032 -99.200 -91.000 PHE 228 1.000 26.533 14.221 95.606 -99.200 -91.000 PHE 235 1.000 14.773 17.912 88.864 -99.200 -91.000 TYR 246 0.840 3.138 19.135 101.921 -99.200 -91.000 HIS 250 0.900 6.429 18.011 106.352 -99.200 -91.000 PHE 255 1.000 18.936 22.593 105.214 -99.200 -91.000 PHE 258 1.000 13.047 32.402 97.848 -99.200 -91.000 TYR 269 0.840 13.670 35.735 108.029 -99.200 -91.000 TRP 281 1.040 13.231 21.657 112.993 -99.200 -91.000 TRP6 281 1.020 13.338 19.329 112.592 -99.200 -91.000 PHE 282 1.000 13.024 27.998 118.610 -99.200 -91.000 TYR 286 0.840 20.658 30.155 106.551 -99.200 -91.000 PHE 303 1.000 32.974 61.829 82.394 -99.200 -91.000 TYR 315 0.840 20.533 48.171 78.833 -99.200 -91.000 PHE 317 1.000 19.349 35.666 81.674 -99.200 -91.000 TYR 335 0.840 21.696 64.064 82.961 -99.200 -91.000 TYR 375 0.840 7.628 47.313 87.741 -99.200 -91.000 TYR 397 0.840 7.817 34.836 75.805 -99.200 -91.000 PHE 398 1.000 13.441 37.685 70.573 -99.200 -91.000 PHE 404 1.000 11.238 54.628 81.342 -99.200 -91.000 PHE 419 1.000 15.519 39.366 87.879 -99.200 -91.000 PHE 431 1.000 30.936 59.595 95.769 -99.200 -91.000 TYR 443 0.840