============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 4 1.000 46.934 11.327 21.060 -99.200 -91.000 PHE 16 1.000 37.964 11.618 22.751 -99.200 -91.000 TRP 31 1.040 33.532 10.382 16.968 -99.200 -91.000 TRP6 31 1.020 35.741 10.262 17.791 -99.200 -91.000 TYR 39 0.840 25.799 7.063 14.065 -99.200 -91.000 HIS 55 0.900 23.660 4.978 25.892 -99.200 -91.000 TYR 58 0.840 29.151 9.093 25.723 -99.200 -91.000 TYR 59 0.840 19.882 11.361 24.385 -99.200 -91.000 HIS 63 0.900 29.431 20.344 22.787 -99.200 -91.000 TYR 69 0.840 34.381 16.363 9.755 -99.200 -91.000 TYR 84 0.840 35.232 7.681 24.599 -99.200 -91.000 TYR 95 0.840 35.782 4.206 -1.242 -99.200 -91.000 TYR 101 0.840 40.904 9.220 19.081 -99.200 -91.000 TYR 106 0.840 43.891 11.769 35.515 -99.200 -91.000