============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 4 rings ring int. center anis. iso. TRP 2 1.040 7.511 10.683 6.664 -99.200 -91.000 TRP6 2 1.020 6.031 10.453 4.855 -99.200 -91.000 PHE 25 1.000 11.190 -0.948 10.535 -99.200 -91.000 TYR 46 0.840 4.533 8.215 7.664 -99.200 -91.000