============================================================================= 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. HIS 5 0.900 -4.375 -17.509 61.927 -99.200 -91.000 PHE 6 1.000 1.947 -20.867 64.121 -99.200 -91.000 PHE 9 1.000 7.811 -26.247 69.692 -99.200 -91.000 PHE 14 1.000 10.712 -18.201 68.294 -99.200 -91.000 PHE 27 1.000 4.323 -9.947 48.017 -99.200 -91.000 PHE 41 1.000 -1.356 -21.887 47.474 -99.200 -91.000 TYR 44 0.840 0.840 -27.127 48.074 -99.200 -91.000