============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. TRP 5 1.040 17.294 -11.801 18.739 -99.200 -91.000 TRP6 5 1.020 18.837 -11.089 17.105 -99.200 -91.000 TYR 8 0.840 17.641 -10.261 11.946 -99.200 -91.000 HIS 35 0.900 10.556 -7.470 -11.815 -99.200 -91.000 PHE 40 1.000 14.324 2.424 -1.909 -99.200 -91.000 HIS 44 0.900 13.545 1.884 3.630 -99.200 -91.000 PHE 46 1.000 18.457 -8.361 5.440 -99.200 -91.000 HIS 63 0.900 22.664 3.859 3.896 -99.200 -91.000 PHE 89 1.000 29.550 -11.056 -3.756 -99.200 -91.000