============================================================================= 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 20 1.000 24.958 4.195 4.988 -99.200 -91.000 TRP 32 1.040 24.801 1.455 -3.681 -99.200 -91.000 TRP6 32 1.020 26.456 0.664 -2.207 -99.200 -91.000 HIS 43 0.900 12.856 16.175 -0.635 -99.200 -91.000 PHE 45 1.000 20.813 10.647 2.482 -99.200 -91.000 HIS 46 0.900 20.570 16.750 7.725 -99.200 -91.000 HIS 48 0.900 18.955 14.048 12.466 -99.200 -91.000 PHE 50 1.000 21.276 10.619 21.151 -99.200 -91.000 HIS 63 0.900 21.608 17.898 11.460 -99.200 -91.000 PHE 64 1.000 28.211 10.599 14.779 -99.200 -91.000 HIS 71 0.900 23.837 21.584 8.754 -99.200 -91.000 HIS 80 0.900 26.279 19.683 12.782 -99.200 -91.000 HIS 110 0.900 34.978 11.479 12.829 -99.200 -91.000 HIS 120 0.900 15.759 16.697 7.933 -99.200 -91.000