============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. TYR 3 0.840 18.877 -1.094 13.024 -99.200 -91.000 PHE 9 1.000 12.967 -4.663 3.678 -99.200 -91.000 PHE 50 1.000 9.638 4.830 38.201 -99.200 -91.000 HIS 68 0.900 -15.944 -0.151 39.750 -99.200 -91.000 PHE 70 1.000 -10.173 -6.811 40.480 -99.200 -91.000 TRP 98 1.040 -0.981 8.705 32.126 -99.200 -91.000 TRP6 98 1.020 0.185 7.234 30.699 -99.200 -91.000