============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. TRP 6 1.040 0.084 36.657 -9.025 -99.200 -91.000 TRP6 6 1.020 -1.456 38.223 -8.219 -99.200 -91.000 TRP 42 1.040 33.749 52.375 -23.426 -99.200 -91.000 TRP6 42 1.020 35.140 51.183 -21.939 -99.200 -91.000 PHE 53 1.000 32.474 43.995 -4.905 -99.200 -91.000 TYR 59 0.840 28.835 52.700 -23.723 -99.200 -91.000 HIS 69 0.900 5.642 56.222 -20.973 -99.200 -91.000 PHE 99 1.000 3.084 48.836 -0.264 -99.200 -91.000