============================================================================= 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 -14.645 -0.987 22.907 -99.200 -91.000 PHE 14 1.000 -20.310 6.429 25.267 -99.200 -91.000 PHE 19 1.000 -23.954 1.226 11.420 -99.200 -91.000 PHE 40 1.000 -28.651 1.988 20.484 -99.200 -91.000 PHE 89 1.000 -13.628 6.793 14.081 -99.200 -91.000 TYR 102 0.840 -17.177 -13.200 14.522 -99.200 -91.000 TRP 111 1.040 -13.346 9.027 23.016 -99.200 -91.000 TRP6 111 1.020 -13.314 6.665 22.735 -99.200 -91.000