============================================================================= 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 -14.233 41.655 28.783 -99.200 -91.000 TYR 11 0.840 -21.206 60.343 21.390 -99.200 -91.000 TRP 14 1.040 -10.284 57.947 19.291 -99.200 -91.000 TRP6 14 1.020 -11.763 59.715 18.827 -99.200 -91.000 TRP 37 1.040 -10.639 46.696 19.193 -99.200 -91.000 TRP6 37 1.020 -9.901 47.891 21.095 -99.200 -91.000 TRP 51 1.040 -11.559 54.917 29.845 -99.200 -91.000 TRP6 51 1.020 -9.843 53.406 30.513 -99.200 -91.000 TYR 57 0.840 -8.999 66.740 17.904 -99.200 -91.000 PHE 58 1.000 -5.420 59.514 20.756 -99.200 -91.000 PHE 80 1.000 -7.517 51.456 36.040 -99.200 -91.000 PHE 90 1.000 -12.886 43.909 32.529 -99.200 -91.000 TYR 95 0.840 -10.056 32.916 45.603 -99.200 -91.000 TYR 99 0.840 -17.119 37.592 41.811 -99.200 -91.000 PHE 108 1.000 -23.258 58.715 31.866 -99.200 -91.000 PHE 114 1.000 -18.886 44.505 31.748 -99.200 -91.000 PHE 152 1.000 -17.771 70.155 45.266 -99.200 -91.000 TYR 157 0.840 -18.797 65.368 48.274 -99.200 -91.000 TYR 169 0.840 -22.608 67.521 44.734 -99.200 -91.000 PHE 172 1.000 -27.206 63.480 38.393 -99.200 -91.000 PHE 173 1.000 -22.782 60.961 39.128 -99.200 -91.000 PHE 181 1.000 -20.361 49.011 43.078 -99.200 -91.000 TYR 183 0.840 -22.101 55.676 48.906 -99.200 -91.000 TYR 199 0.840 -18.079 39.135 30.864 -99.200 -91.000 PHE 203 1.000 -18.028 52.379 24.863 -99.200 -91.000