============================================================================= 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 3 1.000 20.984 30.647 81.636 -99.200 -91.000 TYR 13 0.840 34.366 24.239 91.709 -99.200 -91.000 PHE 37 1.000 38.402 26.586 90.322 -99.200 -91.000 TYR 42 0.840 29.201 23.148 79.511 -99.200 -91.000 PHE 49 1.000 22.726 28.834 86.734 -99.200 -91.000 TYR 53 0.840 18.162 30.941 86.935 -99.200 -91.000 PHE 69 1.000 14.978 19.776 95.592 -99.200 -91.000