============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 10 0.840 17.477 -9.803 38.992 -99.200 -91.000 TRP 12 1.040 26.322 -5.957 44.648 -99.200 -91.000 TRP6 12 1.020 24.880 -4.106 44.831 -99.200 -91.000 TRP 17 1.040 16.234 -7.039 51.150 -99.200 -91.000 TRP6 17 1.020 15.492 -5.643 49.394 -99.200 -91.000 TRP 24 1.040 13.008 0.671 46.814 -99.200 -91.000 TRP6 24 1.020 11.030 0.845 48.085 -99.200 -91.000 TYR 32 0.840 15.775 4.297 42.123 -99.200 -91.000 PHE 37 1.000 21.561 -1.456 40.890 -99.200 -91.000 PHE 40 1.000 19.212 -6.007 34.767 -99.200 -91.000 TYR 52 0.840 11.983 -1.832 29.196 -99.200 -91.000 PHE 55 1.000 5.898 0.239 34.054 -99.200 -91.000 PHE 60 1.000 11.510 -0.099 42.418 -99.200 -91.000 PHE 70 1.000 9.582 -3.388 51.456 -99.200 -91.000 PHE 81 1.000 14.593 -4.584 33.723 -99.200 -91.000 PHE 93 1.000 6.930 0.495 28.981 -99.200 -91.000 PHE 116 1.000 12.998 -11.963 39.948 -99.200 -91.000 TYR 118 0.840 10.380 -15.528 46.757 -99.200 -91.000 PHE 154 1.000 -4.875 2.230 36.174 -99.200 -91.000 TYR 164 0.840 -16.203 -2.935 40.916 -99.200 -91.000