============================================================================= 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 17 1.040 179.840 -71.645 22.992 -99.200 -91.000 TRP6 17 1.020 179.425 -73.860 22.281 -99.200 -91.000 TRP 39 1.040 165.345 -43.694 34.485 -99.200 -91.000 TRP6 39 1.020 166.308 -45.848 34.651 -99.200 -91.000 TRP 50 1.040 155.189 -29.818 43.454 -99.200 -91.000 TRP6 50 1.020 157.115 -28.424 43.627 -99.200 -91.000