============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 1 0.900 -20.861 -49.411 -5.820 -99.200 -91.000 HIS 2 0.900 -14.218 -46.972 1.914 -99.200 -91.000 TYR 6 0.840 -8.137 -36.050 1.198 -99.200 -91.000 TYR 40 0.840 17.834 -46.649 8.439 -99.200 -91.000 TRP 43 1.040 7.734 -49.953 8.140 -99.200 -91.000 TRP6 43 1.020 6.793 -47.835 8.693 -99.200 -91.000 PHE 47 1.000 14.789 -45.563 4.670 -99.200 -91.000 TYR 65 0.840 3.311 -50.719 6.088 -99.200 -91.000 HIS 69 0.900 11.715 -45.082 0.975 -99.200 -91.000 PHE 75 1.000 9.741 -25.263 -0.831 -99.200 -91.000 TYR 78 0.840 14.883 -28.048 -5.387 -99.200 -91.000 TYR 91 0.840 2.175 -33.738 -1.095 -99.200 -91.000 TYR 116 0.840 14.186 -32.388 2.502 -99.200 -91.000 HIS 129 0.900 1.662 -27.951 -4.498 -99.200 -91.000 PHE 131 1.000 -6.860 -31.440 1.308 -99.200 -91.000 TYR 144 0.840 -0.559 -41.154 10.748 -99.200 -91.000 TRP 150 1.040 1.501 -26.886 11.695 -99.200 -91.000 TRP6 150 1.020 2.819 -27.652 9.891 -99.200 -91.000