============================================================================= 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 95.392 -6.134 58.652 -99.200 -91.000 PHE 29 1.000 101.386 -6.019 56.476 -99.200 -91.000 PHE 32 1.000 94.871 -11.392 59.454 -99.200 -91.000 HIS 35 0.900 94.575 -12.477 48.242 -99.200 -91.000 TRP 36 1.040 99.461 -5.542 45.840 -99.200 -91.000 TRP6 36 1.020 98.741 -3.271 45.826 -99.200 -91.000 TRP 47 1.040 94.740 -12.875 43.190 -99.200 -91.000 TRP6 47 1.020 96.422 -14.221 42.284 -99.200 -91.000 TYR 50 0.840 98.326 -15.405 49.517 -99.200 -91.000 TYR 58 0.840 100.027 -19.038 45.673 -99.200 -91.000 TYR 59 0.840 104.574 -12.688 41.527 -99.200 -91.000 PHE 67 1.000 102.273 -5.849 37.262 -99.200 -91.000 PHE 79 1.000 106.545 -1.492 50.137 -99.200 -91.000 TYR 93 0.840 97.407 -2.062 39.193 -99.200 -91.000 TYR 94 0.840 90.302 -0.884 43.929 -99.200 -91.000 TYR 100 0.840 89.871 -10.992 48.350 -99.200 -91.000 TYR 101 0.840 87.106 -7.051 58.436 -99.200 -91.000 TYR 107 0.840 88.697 12.128 56.333 -99.200 -91.000 TRP 108 1.040 93.241 8.771 49.130 -99.200 -91.000 TRP6 108 1.020 94.972 9.338 50.647 -99.200 -91.000 TYR 126 0.840 87.375 27.155 30.885 -99.200 -91.000 TYR 149 0.840 90.939 15.847 33.769 -99.200 -91.000 PHE 150 1.000 96.732 11.159 29.816 -99.200 -91.000 TRP 158 1.040 80.880 21.536 43.901 -99.200 -91.000 TRP6 158 1.020 80.738 23.368 42.418 -99.200 -91.000 HIS 168 0.900 73.584 14.848 40.874 -99.200 -91.000 PHE 170 1.000 76.811 15.264 35.749 -99.200 -91.000 TYR 179 0.840 90.980 11.068 31.075 -99.200 -91.000 TRP 192 1.040 75.785 31.581 43.756 -99.200 -91.000 TRP6 192 1.020 75.005 32.268 41.638 -99.200 -91.000 HIS 203 0.900 95.798 16.691 36.218 -99.200 -91.000