============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. PHE 9 1.000 23.092 55.427 82.363 -99.200 -91.000 PHE 13 1.000 13.035 50.630 82.126 -99.200 -91.000 PHE 16 1.000 16.343 50.705 74.412 -99.200 -91.000 PHE 62 1.000 15.660 53.201 85.900 -99.200 -91.000 PHE 65 1.000 18.237 50.670 80.031 -99.200 -91.000 PHE 86 1.000 26.634 63.254 63.031 -99.200 -91.000 PHE 89 1.000 19.668 61.100 67.182 -99.200 -91.000 TYR 96 0.840 28.284 70.650 59.562 -99.200 -91.000 HIS 104 0.900 11.156 64.261 60.154 -99.200 -91.000 TYR 135 0.840 31.284 61.531 64.809 -99.200 -91.000 PHE 138 1.000 26.001 62.268 68.139 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================