============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 3 1.000 14.648 13.542 28.860 -99.200 -91.000 TYR 11 0.840 7.696 32.301 21.405 -99.200 -91.000 TRP 14 1.040 18.616 30.041 19.596 -99.200 -91.000 TRP6 14 1.020 17.119 31.827 19.171 -99.200 -91.000 TRP 37 1.040 18.417 18.667 19.715 -99.200 -91.000 TRP6 37 1.020 18.959 19.873 21.714 -99.200 -91.000 TRP 51 1.040 17.354 26.856 30.118 -99.200 -91.000 TRP6 51 1.020 19.051 25.367 30.764 -99.200 -91.000 TYR 57 0.840 19.881 38.876 18.273 -99.200 -91.000 PHE 58 1.000 23.429 31.641 21.152 -99.200 -91.000 PHE 80 1.000 21.320 23.375 36.270 -99.200 -91.000 PHE 90 1.000 16.087 15.661 32.647 -99.200 -91.000 TYR 95 0.840 18.624 4.363 45.672 -99.200 -91.000 TYR 99 0.840 11.860 9.581 42.023 -99.200 -91.000 PHE 108 1.000 5.433 30.572 32.033 -99.200 -91.000 PHE 114 1.000 9.922 16.384 31.852 -99.200 -91.000 PHE 152 1.000 10.892 41.940 45.642 -99.200 -91.000 TYR 157 0.840 9.844 37.278 48.660 -99.200 -91.000 TYR 169 0.840 5.994 39.304 45.081 -99.200 -91.000 PHE 172 1.000 1.448 35.406 38.730 -99.200 -91.000 PHE 173 1.000 5.852 32.740 39.328 -99.200 -91.000 PHE 181 1.000 8.554 20.818 43.219 -99.200 -91.000 TYR 183 0.840 6.595 27.421 49.131 -99.200 -91.000 TYR 199 0.840 10.777 10.891 30.994 -99.200 -91.000 PHE 203 1.000 10.908 24.246 25.001 -99.200 -91.000