============================================================================= 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 16 1.000 11.777 24.372 56.350 -99.200 -91.000 PHE 19 1.000 13.347 21.130 63.713 -99.200 -91.000 PHE 61 1.000 29.841 1.366 78.095 -99.200 -91.000 PHE 64 1.000 37.722 12.480 71.611 -99.200 -91.000 PHE 67 1.000 31.480 13.903 70.524 -99.200 -91.000 PHE 70 1.000 26.740 12.735 65.391 -99.200 -91.000 PHE 85 1.000 22.825 24.539 73.496 -99.200 -91.000