============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 4 rings ring int. center anis. iso. TRP 3 1.040 69.405 57.488 16.383 -99.200 -91.000 TRP6 3 1.020 67.782 55.920 15.672 -99.200 -91.000 TYR 4 0.840 77.144 52.009 20.498 -99.200 -91.000 TYR 13 0.840 74.101 33.038 18.235 -99.200 -91.000