============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. PHE 36 1.000 27.763 -20.813 39.023 -99.200 -91.000 TRP 53 1.040 22.742 -7.664 45.523 -99.200 -91.000 TRP6 53 1.020 22.948 -9.394 43.916 -99.200 -91.000 TRP 82 1.040 24.569 -25.994 52.371 -99.200 -91.000 TRP6 82 1.020 26.234 -24.387 51.842 -99.200 -91.000 TRP 87 1.040 22.576 -21.418 48.828 -99.200 -91.000 TRP6 87 1.020 24.403 -19.948 48.508 -99.200 -91.000 PHE 90 1.000 22.204 -19.691 37.854 -99.200 -91.000 TYR 112 0.840 25.827 3.238 42.626 -99.200 -91.000 TYR 121 0.840 23.410 -29.039 43.953 -99.200 -91.000