============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. PHE 9 1.000 20.440 57.528 17.673 -99.200 -91.000 PHE 14 1.000 28.050 47.239 19.254 -99.200 -91.000 TRP 16 1.040 17.229 47.676 20.294 -99.200 -91.000 TRP6 16 1.020 17.107 46.675 18.152 -99.200 -91.000 HIS 17 0.900 23.847 44.413 16.044 -99.200 -91.000 PHE 22 1.000 20.372 37.640 26.247 -99.200 -91.000 PHE 32 1.000 17.090 41.096 26.713 -99.200 -91.000 TRP 67 1.040 39.147 54.111 22.922 -99.200 -91.000 TRP6 67 1.020 39.106 54.747 25.205 -99.200 -91.000