============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 7 0.840 13.590 15.381 0.205 -99.200 -91.000 TRP 8 1.040 11.829 16.701 -4.070 -99.200 -91.000 TRP6 8 1.020 11.133 15.222 -5.753 -99.200 -91.000 HIS 10 0.900 10.309 12.174 2.845 -99.200 -91.000 PHE 16 1.000 5.934 6.169 13.360 -99.200 -91.000 HIS 43 0.900 6.187 20.868 -8.932 -99.200 -91.000 HIS 46 0.900 15.605 21.278 -5.787 -99.200 -91.000 TYR 51 0.840 11.345 13.724 -11.155 -99.200 -91.000 TYR 55 0.840 5.516 7.924 -0.859 -99.200 -91.000 HIS 56 0.900 8.538 -0.633 -2.393 -99.200 -91.000 TYR 79 0.840 -12.797 5.385 -4.315 -99.200 -91.000 PHE 81 1.000 -5.545 -1.666 -0.947 -99.200 -91.000 PHE 82 1.000 -1.776 -2.006 -5.526 -99.200 -91.000 HIS 84 0.900 -6.467 4.276 1.364 -99.200 -91.000 TRP 89 1.040 0.454 0.536 0.923 -99.200 -91.000 TRP6 89 1.020 -0.478 -1.091 -0.498 -99.200 -91.000 PHE 98 1.000 4.643 1.957 9.412 -99.200 -91.000 HIS 99 0.900 11.407 0.242 12.540 -99.200 -91.000