============================================================================= 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. TYR 2 0.840 102.741 2.904 93.020 -99.200 -91.000 TYR 31 0.840 103.423 -6.375 83.551 -99.200 -91.000 TRP 34 1.040 109.229 -9.947 94.218 -99.200 -91.000 TRP6 34 1.020 109.037 -9.190 96.455 -99.200 -91.000 TYR 35 0.840 115.456 -5.736 90.630 -99.200 -91.000 TYR 36 0.840 120.427 -12.471 97.621 -99.200 -91.000 TYR 48 0.840 111.032 -11.467 83.526 -99.200 -91.000 PHE 51 1.000 103.602 -15.246 85.774 -99.200 -91.000 TYR 85 0.840 115.456 -12.206 99.277 -99.200 -91.000 TYR 86 0.840 116.490 -3.530 98.632 -99.200 -91.000 TRP 90 1.040 108.688 0.177 85.945 -99.200 -91.000 TRP6 90 1.020 110.265 1.400 84.681 -99.200 -91.000 PHE 105 1.000 114.657 -0.014 92.980 -99.200 -91.000 PHE 126 1.000 138.198 -2.360 128.161 -99.200 -91.000 PHE 147 1.000 125.795 -9.132 118.683 -99.200 -91.000 TYR 148 0.840 122.581 -16.561 114.621 -99.200 -91.000 TRP 156 1.040 125.868 4.013 125.671 -99.200 -91.000 TRP6 156 1.020 128.099 3.646 126.369 -99.200 -91.000 TYR 180 0.840 125.767 -11.808 112.446 -99.200 -91.000 TYR 185 0.840 133.744 3.477 120.006 -99.200 -91.000 TRP 193 1.040 135.231 10.051 133.854 -99.200 -91.000 TRP6 193 1.020 134.346 7.867 134.072 -99.200 -91.000 HIS 196 0.900 127.453 12.881 135.930 -99.200 -91.000 TYR 199 0.840 128.565 9.071 132.728 -99.200 -91.000 HIS 205 0.900 120.863 -11.260 121.319 -99.200 -91.000