============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. PHE 6 1.000 23.063 -11.211 10.822 -99.200 -91.000 PHE 14 1.000 30.597 -12.883 5.166 -99.200 -91.000 PHE 19 1.000 35.162 -6.154 18.239 -99.200 -91.000 PHE 40 1.000 36.757 -15.217 13.408 -99.200 -91.000 PHE 89 1.000 28.165 -0.741 9.898 -99.200 -91.000 TYR 102 0.840 21.621 -11.014 25.898 -99.200 -91.000 TRP 111 1.040 26.723 -6.709 2.616 -99.200 -91.000 TRP6 111 1.020 25.615 -7.448 4.568 -99.200 -91.000