============================================================================= 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. TRP 42 1.040 15.189 76.622 49.135 -99.200 -91.000 TRP6 42 1.020 13.588 74.880 49.293 -99.200 -91.000 TRP 52 1.040 -2.387 76.654 42.631 -99.200 -91.000 TRP6 52 1.020 -2.828 75.082 44.331 -99.200 -91.000 TRP 54 1.040 -2.259 82.499 50.679 -99.200 -91.000 TRP6 54 1.020 -3.468 80.986 52.050 -99.200 -91.000