============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 1 1.000 -16.829 90.020 13.280 -99.200 -91.000 PHE 10 1.000 -26.695 83.632 12.074 -99.200 -91.000 PHE 26 1.000 -23.172 60.676 35.333 -99.200 -91.000 TRP 39 1.040 -26.864 47.754 34.262 -99.200 -91.000 TRP6 39 1.020 -25.593 46.415 32.786 -99.200 -91.000 PHE 40 1.000 -30.407 50.871 37.456 -99.200 -91.000 TYR 42 0.840 -25.140 50.527 26.735 -99.200 -91.000 TYR 96 0.840 -11.935 56.294 30.217 -99.200 -91.000 TRP 99 1.040 -7.166 54.751 25.747 -99.200 -91.000 TRP6 99 1.020 -8.502 53.211 26.925 -99.200 -91.000 PHE 107 1.000 -12.321 50.583 29.684 -99.200 -91.000 TRP 108 1.040 -16.636 53.404 30.184 -99.200 -91.000 TRP6 108 1.020 -16.887 52.349 32.279 -99.200 -91.000 TYR 109 0.840 -20.356 47.476 21.914 -99.200 -91.000 PHE 119 1.000 -18.289 35.341 30.831 -99.200 -91.000 TYR 127 0.840 -26.795 51.046 43.386 -99.200 -91.000 PHE 161 1.000 -5.287 62.779 37.725 -99.200 -91.000 TYR 192 0.840 -17.920 72.638 8.258 -99.200 -91.000 PHE 201 1.000 -11.266 64.073 8.771 -99.200 -91.000 PHE 208 1.000 -12.167 75.634 9.863 -99.200 -91.000 PHE 218 1.000 -24.749 71.169 24.382 -99.200 -91.000 PHE 231 1.000 -13.449 68.288 17.343 -99.200 -91.000 PHE 232 1.000 -12.139 69.606 10.933 -99.200 -91.000 PHE 255 1.000 -14.537 88.898 9.021 -99.200 -91.000 TRP 268 1.040 -19.704 55.794 18.526 -99.200 -91.000 TRP6 268 1.020 -18.923 53.728 19.365 -99.200 -91.000 PHE 269 1.000 -26.247 55.409 19.426 -99.200 -91.000 TRP 279 1.040 -23.007 72.470 10.678 -99.200 -91.000 TRP6 279 1.020 -24.947 71.231 10.131 -99.200 -91.000 PHE 281 1.000 -20.503 77.098 8.255 -99.200 -91.000 PHE 290 1.000 -12.157 85.247 13.442 -99.200 -91.000 PHE 291 1.000 -17.306 80.734 16.528 -99.200 -91.000