============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. PHE 4 1.000 31.582 11.185 28.067 -99.200 -91.000 HIS 6 0.900 28.050 10.169 31.860 -99.200 -91.000 TYR 25 0.840 24.136 2.419 24.558 -99.200 -91.000 TRP 29 1.040 13.464 5.001 29.719 -99.200 -91.000 TRP6 29 1.020 15.680 4.237 29.785 -99.200 -91.000 PHE 32 1.000 4.937 8.344 38.594 -99.200 -91.000