============================================================================= 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 5 1.040 38.029 21.042 -3.945 -99.200 -91.000 TRP6 5 1.020 38.119 20.129 -6.123 -99.200 -91.000 TRP 14 1.040 34.641 48.883 4.190 -99.200 -91.000 TRP6 14 1.020 32.760 49.340 2.836 -99.200 -91.000 PHE 37 1.000 16.577 38.933 -10.504 -99.200 -91.000