============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 5 rings ring int. center anis. iso. TYR 3 0.840 9.457 9.278 -11.289 -99.200 -91.000 PHE 6 1.000 10.149 0.390 -15.457 -99.200 -91.000 PHE 11 1.000 1.947 3.915 -14.384 -99.200 -91.000 PHE 24 1.000 1.202 17.398 4.248 -99.200 -91.000 TYR 40 0.840 16.106 7.581 4.488 -99.200 -91.000