============================================================================= 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. TYR 3 0.840 31.187 34.573 13.768 -99.200 -91.000 PHE 14 1.000 39.971 23.188 22.851 -99.200 -91.000 PHE 54 1.000 26.936 22.941 17.882 -99.200 -91.000 PHE 61 1.000 23.277 21.804 21.751 -99.200 -91.000 PHE 67 1.000 9.154 25.164 13.863 -99.200 -91.000 TYR 69 0.840 13.603 34.849 11.080 -99.200 -91.000 PHE 70 1.000 13.255 30.020 9.888 -99.200 -91.000 HIS 73 0.900 11.008 36.148 7.599 -99.200 -91.000 PHE 92 1.000 22.806 24.525 11.205 -99.200 -91.000 PHE 96 1.000 26.505 20.961 12.181 -99.200 -91.000 PHE 99 1.000 34.060 21.095 10.556 -99.200 -91.000 TRP 126 1.040 31.957 13.793 24.940 -99.200 -91.000 TRP6 126 1.020 34.009 14.998 25.097 -99.200 -91.000 TRP 132 1.040 14.477 17.870 28.725 -99.200 -91.000 TRP6 132 1.020 13.169 18.581 26.895 -99.200 -91.000 PHE 133 1.000 20.019 14.774 24.421 -99.200 -91.000 TYR 137 0.840 11.569 16.263 13.236 -99.200 -91.000 PHE 140 1.000 8.885 21.225 16.238 -99.200 -91.000 PHE 152 1.000 16.995 11.085 15.674 -99.200 -91.000 PHE 186 1.000 30.993 14.397 30.024 -99.200 -91.000 PHE 191 1.000 28.242 18.950 30.356 -99.200 -91.000 TYR 205 0.840 44.265 10.687 21.413 -99.200 -91.000 TRP 240 1.040 7.739 23.843 6.903 -99.200 -91.000 TRP6 240 1.020 10.094 23.728 7.123 -99.200 -91.000 TYR 252 0.840 5.478 24.659 18.079 -99.200 -91.000