============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 -3.786 -5.830 58.601 -99.200 -91.000 PHE 29 1.000 2.087 -5.750 56.162 -99.200 -91.000 PHE 32 1.000 -4.427 -11.192 59.327 -99.200 -91.000 HIS 35 0.900 -5.010 -12.280 48.075 -99.200 -91.000 TRP 36 1.040 0.092 -5.377 45.559 -99.200 -91.000 TRP6 36 1.020 -0.626 -3.124 45.649 -99.200 -91.000 TRP 47 1.040 -4.843 -12.778 43.136 -99.200 -91.000 TRP6 47 1.020 -3.242 -14.228 42.201 -99.200 -91.000 TYR 50 0.840 -1.237 -15.190 49.419 -99.200 -91.000 TYR 58 0.840 0.207 -19.040 45.390 -99.200 -91.000 TYR 59 0.840 4.937 -12.590 41.363 -99.200 -91.000 PHE 67 1.000 2.590 -5.800 37.040 -99.200 -91.000 PHE 79 1.000 7.264 -1.423 49.778 -99.200 -91.000 TYR 93 0.840 -2.240 -2.033 38.989 -99.200 -91.000 TYR 94 0.840 -9.181 -0.848 43.801 -99.200 -91.000 TYR 100 0.840 -9.680 -10.737 48.278 -99.200 -91.000 TYR 101 0.840 -12.102 -6.685 58.444 -99.200 -91.000 TYR 107 0.840 -10.393 12.424 56.120 -99.200 -91.000 TRP 108 1.040 -6.054 8.980 48.889 -99.200 -91.000 TRP6 108 1.020 -4.260 9.597 50.307 -99.200 -91.000 TYR 126 0.840 -12.077 27.177 30.647 -99.200 -91.000 TYR 149 0.840 -8.619 15.959 33.502 -99.200 -91.000 PHE 150 1.000 -2.904 11.120 29.390 -99.200 -91.000 TRP 158 1.040 -18.501 21.738 43.764 -99.200 -91.000 TRP6 158 1.020 -18.749 23.570 42.291 -99.200 -91.000 HIS 168 0.900 -25.846 15.157 40.915 -99.200 -91.000 PHE 170 1.000 -22.720 15.515 35.707 -99.200 -91.000 TYR 179 0.840 -8.673 11.112 30.744 -99.200 -91.000 TRP 192 1.040 -23.450 31.947 43.556 -99.200 -91.000 TRP6 192 1.020 -24.292 32.630 41.465 -99.200 -91.000 HIS 203 0.900 -3.637 16.695 35.846 -99.200 -91.000