============================================================================= 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 2 1.000 28.749 12.254 4.983 -99.200 -91.000 TRP 8 1.040 30.116 17.030 5.421 -99.200 -91.000 TRP6 8 1.020 30.994 19.116 4.725 -99.200 -91.000 TYR 17 0.840 25.568 27.947 5.572 -99.200 -91.000 PHE 21 1.000 30.433 24.300 1.887 -99.200 -91.000 PHE 26 1.000 35.636 25.691 -1.120 -99.200 -91.000 PHE 29 1.000 32.708 14.677 0.725 -99.200 -91.000 HIS 50 0.900 24.669 27.966 11.033 -99.200 -91.000 HIS 60 0.900 35.059 14.016 12.845 -99.200 -91.000