============================================================================= 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 0.911 18.092 20.051 -99.200 -91.000 TRP6 6 1.020 -1.438 17.872 19.875 -99.200 -91.000 TRP 42 1.040 26.375 -11.571 13.236 -99.200 -91.000 TRP6 42 1.020 24.862 -12.833 11.929 -99.200 -91.000 PHE 53 1.000 7.168 -13.196 11.948 -99.200 -91.000 TYR 59 0.840 25.561 -7.141 15.909 -99.200 -91.000 HIS 69 0.900 17.934 10.035 30.888 -99.200 -91.000 PHE 99 1.000 -3.906 7.212 29.512 -99.200 -91.000