============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 11 0.840 9.453 12.617 -16.425 -99.200 -91.000 HIS 14 0.900 16.616 16.978 -24.096 -99.200 -91.000 PHE 23 1.000 20.435 16.082 -17.528 -99.200 -91.000 TYR 27 0.840 6.393 15.567 -10.824 -99.200 -91.000 PHE 31 1.000 5.930 13.059 -1.471 -99.200 -91.000 HIS 32 0.900 0.785 16.028 4.217 -99.200 -91.000 HIS 52 0.900 16.907 16.436 -3.448 -99.200 -91.000 PHE 57 1.000 2.953 23.837 0.363 -99.200 -91.000 TRP 61 1.040 -3.674 22.411 1.446 -99.200 -91.000 TRP6 61 1.020 -2.577 24.457 1.891 -99.200 -91.000 PHE 63 1.000 4.918 18.329 1.812 -99.200 -91.000 TYR 64 0.840 5.868 20.186 -6.783 -99.200 -91.000 TYR 67 0.840 14.988 12.165 -5.513 -99.200 -91.000 TYR 68 0.840 18.045 16.995 -11.577 -99.200 -91.000 PHE 71 1.000 18.561 8.028 -19.657 -99.200 -91.000 TYR 79 0.840 19.203 3.518 -17.614 -99.200 -91.000 HIS 85 0.900 4.727 8.745 1.824 -99.200 -91.000 TRP 96 1.040 12.544 5.677 -19.296 -99.200 -91.000 TRP6 96 1.020 14.119 5.130 -20.978 -99.200 -91.000