============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. PHE 7 1.000 15.008 17.605 12.869 -99.200 -91.000 PHE 10 1.000 22.174 13.404 17.848 -99.200 -91.000 PHE 52 1.000 31.984 -12.951 14.641 -99.200 -91.000 PHE 55 1.000 31.357 -7.506 0.201 -99.200 -91.000 PHE 58 1.000 29.706 -3.106 4.147 -99.200 -91.000 PHE 61 1.000 23.408 -0.268 6.650 -99.200 -91.000 PHE 76 1.000 35.083 4.076 7.708 -99.200 -91.000