============================================================================= 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. HIS 43 0.900 15.496 52.995 53.668 -99.200 -91.000 TYR 46 0.840 15.072 64.225 40.877 -99.200 -91.000 TYR 64 0.840 13.408 49.566 59.170 -99.200 -91.000 TRP 67 1.040 27.319 52.163 57.620 -99.200 -91.000 TRP6 67 1.020 28.026 51.833 55.390 -99.200 -91.000