============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. HIS 9 0.900 -9.845 2.253 40.336 -99.200 -91.000 TRP 14 1.040 -11.798 -4.486 50.797 -99.200 -91.000 TRP6 14 1.020 -10.600 -2.695 51.769 -99.200 -91.000 PHE 32 1.000 -11.586 3.790 53.603 -99.200 -91.000 TRP 36 1.040 -16.729 14.704 46.222 -99.200 -91.000 TRP6 36 1.020 -16.677 15.365 48.493 -99.200 -91.000 PHE 47 1.000 -2.006 6.355 51.176 -99.200 -91.000 PHE 54 1.000 7.615 3.961 56.584 -99.200 -91.000 PHE 59 1.000 1.819 3.014 52.699 -99.200 -91.000 PHE 74 1.000 -12.830 -0.695 57.570 -99.200 -91.000 PHE 82 1.000 -4.591 9.841 54.705 -99.200 -91.000 PHE 84 1.000 -2.127 4.356 59.864 -99.200 -91.000 HIS 109 0.900 -0.136 1.958 64.392 -99.200 -91.000