============================================================================= 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 24.942 11.331 19.882 -99.200 -91.000 TRP6 6 1.020 27.232 11.548 19.368 -99.200 -91.000 TRP 42 1.040 -0.763 40.317 13.067 -99.200 -91.000 TRP6 42 1.020 0.779 41.413 11.657 -99.200 -91.000 PHE 53 1.000 18.181 41.992 11.757 -99.200 -91.000 TYR 59 0.840 0.054 36.035 15.716 -99.200 -91.000 HIS 69 0.900 7.903 19.019 30.661 -99.200 -91.000 PHE 99 1.000 29.433 22.043 29.160 -99.200 -91.000