============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. TRP 3 1.040 15.177 17.941 9.420 -99.200 -91.000 TRP6 3 1.020 15.216 20.260 8.999 -99.200 -91.000 TYR 7 0.840 13.336 21.407 15.373 -99.200 -91.000 TYR 19 0.840 11.032 19.111 20.156 -99.200 -91.000 PHE 23 1.000 3.416 18.218 12.918 -99.200 -91.000 TYR 30 0.840 3.885 19.165 3.671 -99.200 -91.000 TYR 54 0.840 -11.142 22.870 -27.019 -99.200 -91.000 TYR 61 0.840 -4.230 20.395 -29.972 -99.200 -91.000 TYR 68 0.840 0.670 20.467 -21.024 -99.200 -91.000 TYR 80 0.840 5.968 24.309 -9.455 -99.200 -91.000 HIS 86 0.900 10.253 26.302 2.636 -99.200 -91.000 HIS 96 0.900 13.859 14.706 14.133 -99.200 -91.000 TYR 104 0.840 8.119 13.602 26.746 -99.200 -91.000