============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. PHE 5 1.000 29.221 4.264 -23.960 -99.200 -91.000 PHE 18 1.000 39.557 11.540 -31.234 -99.200 -91.000 TRP 40 1.040 32.497 1.280 -25.163 -99.200 -91.000 TRP6 40 1.020 32.482 2.552 -27.149 -99.200 -91.000 TRP 54 1.040 41.383 18.576 -22.245 -99.200 -91.000 TRP6 54 1.020 39.556 18.098 -20.827 -99.200 -91.000