============================================================================= 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 4 1.000 36.914 -13.743 35.790 -99.200 -91.000 PHE 38 1.000 30.418 -18.725 32.485 -99.200 -91.000 PHE 41 1.000 36.166 -16.665 31.616 -99.200 -91.000 TYR 77 0.840 42.568 -13.362 30.276 -99.200 -91.000 TYR 81 0.840 32.192 -15.373 27.966 -99.200 -91.000 TRP 100 1.040 33.278 -6.750 22.638 -99.200 -91.000 TRP6 100 1.020 35.160 -6.863 21.210 -99.200 -91.000