============================================================================= 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. HIS 3 0.900 34.036 10.030 55.315 -99.200 -91.000 HIS 19 0.900 36.190 1.699 53.890 -99.200 -91.000 HIS 41 0.900 51.258 -8.129 43.602 -99.200 -91.000 PHE 43 1.000 45.662 0.602 45.403 -99.200 -91.000 HIS 44 0.900 49.032 1.868 38.753 -99.200 -91.000 HIS 46 0.900 44.190 1.532 35.622 -99.200 -91.000 PHE 48 1.000 37.492 6.043 30.233 -99.200 -91.000 HIS 61 0.900 48.442 3.616 35.269 -99.200 -91.000 PHE 62 1.000 41.404 11.259 36.798 -99.200 -91.000 HIS 65 0.900 46.059 17.886 36.750 -99.200 -91.000 HIS 69 0.900 53.255 4.900 36.266 -99.200 -91.000 HIS 78 0.900 50.212 8.355 34.213 -99.200 -91.000 HIS 118 0.900 48.085 -2.716 37.123 -99.200 -91.000 HIS 129 0.900 61.290 -3.510 31.558 -99.200 -91.000