============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 8 1.000 22.166 35.428 9.517 -99.200 -91.000 TYR 10 0.840 12.576 30.168 10.440 -99.200 -91.000 PHE 17 1.000 14.223 18.207 10.340 -99.200 -91.000 PHE 23 1.000 14.144 11.506 17.023 -99.200 -91.000 HIS 27 0.900 14.450 2.028 12.071 -99.200 -91.000 PHE 28 1.000 18.971 1.796 9.815 -99.200 -91.000 HIS 34 0.900 21.107 12.597 26.381 -99.200 -91.000 PHE 35 1.000 16.526 7.854 20.864 -99.200 -91.000 TRP 48 1.040 6.917 9.250 17.744 -99.200 -91.000 TRP6 48 1.020 9.147 10.012 17.965 -99.200 -91.000 PHE 69 1.000 22.795 18.524 -2.316 -99.200 -91.000 TYR 86 0.840 24.646 10.994 15.103 -99.200 -91.000 PHE 87 1.000 24.242 4.741 12.168 -99.200 -91.000 TYR 102 0.840 28.949 14.887 12.360 -99.200 -91.000 PHE 106 1.000 24.675 19.115 12.375 -99.200 -91.000 PHE 109 1.000 23.061 17.083 3.843 -99.200 -91.000 PHE 111 1.000 24.409 28.652 3.131 -99.200 -91.000 PHE 119 1.000 14.187 22.283 7.269 -99.200 -91.000 TYR 121 0.840 8.789 19.594 8.402 -99.200 -91.000