============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 5 rings ring int. center anis. iso. TRP 4 1.040 1.954 36.702 5.236 -99.200 -91.000 TRP6 4 1.020 4.166 37.330 5.771 -99.200 -91.000 TRP 13 1.040 -7.870 15.592 -13.082 -99.200 -91.000 TRP6 13 1.020 -6.292 14.020 -12.279 -99.200 -91.000 PHE 36 1.000 -10.111 37.750 -16.462 -99.200 -91.000