============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 1 0.900 -10.568 148.258 -30.243 -99.200 -91.000 HIS 2 0.900 -8.987 144.752 -22.626 -99.200 -91.000 HIS 3 0.900 -4.679 150.757 -26.611 -99.200 -91.000 HIS 4 0.900 -2.028 149.365 -19.948 -99.200 -91.000 HIS 5 0.900 1.625 142.533 -21.915 -99.200 -91.000 HIS 6 0.900 -5.858 143.694 -18.880 -99.200 -91.000 TYR 10 0.840 -12.816 130.022 -26.145 -99.200 -91.000 PHE 11 1.000 -14.981 128.458 -18.293 -99.200 -91.000 TYR 15 0.840 -22.545 119.987 -24.888 -99.200 -91.000 PHE 22 1.000 -16.826 98.676 -17.732 -99.200 -91.000 PHE 48 1.000 -14.613 119.240 -13.512 -99.200 -91.000 HIS 51 0.900 -20.727 113.664 -16.848 -99.200 -91.000 HIS 61 0.900 -7.381 106.536 -31.033 -99.200 -91.000 PHE 76 1.000 -8.151 100.010 -8.686 -99.200 -91.000 TRP 83 1.040 -17.312 97.277 -5.304 -99.200 -91.000 TRP6 83 1.020 -15.457 97.278 -3.844 -99.200 -91.000 HIS 85 0.900 -23.337 104.040 -5.340 -99.200 -91.000 HIS 93 0.900 -18.924 99.135 -12.543 -99.200 -91.000 HIS 95 0.900 -20.600 106.471 -8.386 -99.200 -91.000 PHE 100 1.000 -8.030 104.058 -6.428 -99.200 -91.000 PHE 107 1.000 -2.983 117.170 -21.841 -99.200 -91.000 TRP 119 1.040 3.153 107.759 -30.600 -99.200 -91.000 TRP6 119 1.020 5.461 108.192 -30.689 -99.200 -91.000 PHE 123 1.000 -7.806 107.921 -25.490 -99.200 -91.000 HIS 135 0.900 -20.613 120.099 -19.979 -99.200 -91.000