============================================================================= 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. TRP 14 1.040 36.563 20.266 12.863 -99.200 -91.000 TRP6 14 1.020 34.779 18.710 12.802 -99.200 -91.000 PHE 16 1.000 39.429 22.893 8.177 -99.200 -91.000 PHE 24 1.000 44.058 38.500 9.738 -99.200 -91.000 HIS 25 0.900 40.292 44.958 5.528 -99.200 -91.000 HIS 63 0.900 42.176 33.814 10.976 -99.200 -91.000