============================================================================= 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 36 1.040 -6.210 70.651 47.367 -99.200 -91.000 TRP6 36 1.020 -4.614 72.147 48.272 -99.200 -91.000 TRP 46 1.040 11.394 73.341 42.145 -99.200 -91.000 TRP6 46 1.020 11.770 73.883 44.409 -99.200 -91.000 TRP 48 1.040 11.278 64.595 46.536 -99.200 -91.000 TRP6 48 1.020 12.265 65.373 48.523 -99.200 -91.000