============================================================================= 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 24.815 11.083 19.508 -99.200 -91.000 TRP6 6 1.020 27.120 11.211 19.008 -99.200 -91.000 TRP 42 1.040 -0.732 40.662 13.650 -99.200 -91.000 TRP6 42 1.020 0.663 41.912 12.213 -99.200 -91.000 PHE 53 1.000 18.281 41.799 11.588 -99.200 -91.000 TYR 59 0.840 0.049 36.393 15.975 -99.200 -91.000 HIS 69 0.900 7.377 18.735 30.192 -99.200 -91.000 PHE 99 1.000 29.076 21.902 29.279 -99.200 -91.000