============================================================================= 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 17 1.040 16.746 25.366 59.576 -99.200 -91.000 TRP6 17 1.020 18.080 24.054 58.151 -99.200 -91.000 PHE 39 1.000 18.625 10.492 45.626 -99.200 -91.000 HIS 64 0.900 11.187 2.724 50.209 -99.200 -91.000 HIS 67 0.900 8.630 8.090 52.482 -99.200 -91.000 TYR 72 0.840 18.377 9.730 57.215 -99.200 -91.000