============================================================================= 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 20 1.000 28.831 42.834 29.862 -99.200 -91.000 PHE 25 1.000 32.504 42.825 24.370 -99.200 -91.000 TYR 32 0.840 34.079 43.419 13.234 -99.200 -91.000 PHE 43 1.000 29.573 45.289 21.312 -99.200 -91.000 TRP 47 1.040 30.185 36.751 26.249 -99.200 -91.000 TRP6 47 1.020 31.392 37.950 27.871 -99.200 -91.000 PHE 54 1.000 39.124 30.626 30.660 -99.200 -91.000 HIS 84 0.900 46.272 42.050 24.724 -99.200 -91.000 HIS 105 0.900 25.164 37.096 13.701 -99.200 -91.000