============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. PHE 8 1.000 7.684 -0.106 15.758 -99.200 -91.000 TYR 12 0.840 1.862 9.333 7.036 -99.200 -91.000 PHE 14 1.000 12.494 9.461 6.757 -99.200 -91.000 TYR 35 0.840 11.972 2.800 20.480 -99.200 -91.000 HIS 37 0.900 16.835 12.280 23.842 -99.200 -91.000 TRP 41 1.040 14.386 11.451 14.739 -99.200 -91.000 TRP6 41 1.020 14.331 11.220 12.375 -99.200 -91.000 TRP 52 1.040 19.644 7.119 13.355 -99.200 -91.000 TRP6 52 1.020 18.816 6.702 15.518 -99.200 -91.000 TYR 57 0.840 7.318 10.569 8.089 -99.200 -91.000