============================================================================= 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 24.593 17.747 10.629 -99.200 -91.000 TRP6 6 1.020 26.929 17.404 10.673 -99.200 -91.000 TRP 42 1.040 -0.475 -10.878 19.800 -99.200 -91.000 TRP6 42 1.020 1.096 -12.004 21.155 -99.200 -91.000 PHE 53 1.000 18.522 -13.224 19.159 -99.200 -91.000 TYR 59 0.840 0.242 -6.775 16.957 -99.200 -91.000 HIS 69 0.900 7.153 9.912 1.146 -99.200 -91.000 PHE 99 1.000 28.941 6.795 1.671 -99.200 -91.000