============================================================================= 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. PHE 12 1.000 73.705 64.511 3.756 -99.200 -91.000 TYR 26 0.840 56.628 57.375 -5.591 -99.200 -91.000 TYR 42 0.840 49.398 58.719 8.431 -99.200 -91.000 PHE 100 1.000 64.389 45.392 5.117 -99.200 -91.000 PHE 105 1.000 67.992 57.258 3.129 -99.200 -91.000