============================================================================= 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 24.640 11.173 19.677 -99.200 -91.000 TRP6 6 1.020 26.978 11.329 19.407 -99.200 -91.000 TRP 42 1.040 -0.457 40.930 13.278 -99.200 -91.000 TRP6 42 1.020 1.002 42.080 11.825 -99.200 -91.000 PHE 53 1.000 18.636 41.901 11.705 -99.200 -91.000 TYR 59 0.840 0.403 36.703 15.968 -99.200 -91.000 HIS 69 0.900 7.771 19.374 30.329 -99.200 -91.000 PHE 99 1.000 29.374 22.013 29.109 -99.200 -91.000