============================================================================= 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 12 1.000 -20.177 72.524 8.822 -99.200 -91.000 PHE 44 1.000 -23.224 70.084 13.722 -99.200 -91.000 PHE 52 1.000 -35.115 72.966 -1.621 -99.200 -91.000 PHE 105 1.000 -6.504 72.850 21.703 -99.200 -91.000 TYR 120 0.840 0.126 50.274 10.641 -99.200 -91.000 HIS 147 0.900 -12.449 67.665 24.941 -99.200 -91.000 TRP 186 1.040 -16.572 45.364 4.180 -99.200 -91.000 TRP6 186 1.020 -17.337 46.433 6.151 -99.200 -91.000