============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 2 1.000 -14.629 21.744 37.724 -99.200 -91.000 HIS 3 0.900 -19.026 18.801 42.541 -99.200 -91.000 HIS 17 0.900 -1.439 10.346 46.445 -99.200 -91.000 TRP 23 1.040 6.937 19.573 46.993 -99.200 -91.000 TRP6 23 1.020 9.054 20.424 47.680 -99.200 -91.000 HIS 24 0.900 8.170 11.864 45.966 -99.200 -91.000 HIS 25 0.900 5.925 15.101 36.740 -99.200 -91.000 TYR 27 0.840 10.231 21.347 44.050 -99.200 -91.000 PHE 39 1.000 8.462 21.479 51.947 -99.200 -91.000 PHE 43 1.000 4.761 23.816 55.960 -99.200 -91.000 TYR 44 0.840 2.619 19.942 51.995 -99.200 -91.000 HIS 50 0.900 -5.158 16.242 61.432 -99.200 -91.000 PHE 58 1.000 -4.072 24.115 53.642 -99.200 -91.000 PHE 70 1.000 -2.247 20.983 48.634 -99.200 -91.000 PHE 73 1.000 -6.716 30.486 47.811 -99.200 -91.000 PHE 86 1.000 -3.142 26.364 42.089 -99.200 -91.000 TYR 87 0.840 2.313 21.935 46.005 -99.200 -91.000 PHE 108 1.000 -11.302 29.315 52.061 -99.200 -91.000 HIS 109 0.900 -16.088 36.456 50.989 -99.200 -91.000 PHE 114 1.000 2.485 40.510 46.722 -99.200 -91.000 HIS 126 0.900 2.598 28.607 29.258 -99.200 -91.000 PHE 127 1.000 -2.279 27.974 36.808 -99.200 -91.000 TYR 128 0.840 1.388 30.168 39.859 -99.200 -91.000 PHE 133 1.000 -0.864 34.618 40.030 -99.200 -91.000 PHE 139 1.000 13.082 35.230 46.851 -99.200 -91.000 PHE 143 1.000 13.624 23.411 50.300 -99.200 -91.000 TYR 144 0.840 15.392 20.744 54.041 -99.200 -91.000 TYR 146 0.840 20.963 20.412 48.055 -99.200 -91.000 PHE 153 1.000 5.807 34.893 38.364 -99.200 -91.000 HIS 157 0.900 -5.687 40.799 36.188 -99.200 -91.000