============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 4 0.840 65.185 -39.072 -81.204 -99.200 -91.000 TYR 9 0.840 68.490 -46.972 -75.847 -99.200 -91.000 PHE 14 1.000 68.820 -33.164 -72.006 -99.200 -91.000 HIS 16 0.900 67.716 -29.207 -73.025 -99.200 -91.000 TYR 19 0.840 76.455 -36.600 -70.728 -99.200 -91.000 TRP 21 1.040 78.098 -39.178 -74.683 -99.200 -91.000 TRP6 21 1.020 77.497 -40.919 -73.196 -99.200 -91.000 HIS 24 0.900 79.901 -38.142 -68.280 -99.200 -91.000 TRP 40 1.040 83.474 -42.156 -96.836 -99.200 -91.000 TRP6 40 1.020 83.293 -44.509 -96.689 -99.200 -91.000 PHE 42 1.000 89.652 -42.362 -90.575 -99.200 -91.000 TYR 52 0.840 80.830 -52.899 -80.055 -99.200 -91.000 PHE 72 1.000 82.360 -54.493-102.658 -99.200 -91.000 TYR 75 0.840 80.748 -43.970-105.462 -99.200 -91.000 PHE 86 1.000 76.440 -45.602 -88.863 -99.200 -91.000 TYR 100 0.840 90.993 -54.576 -93.880 -99.200 -91.000 TYR 102 0.840 93.172 -44.849 -93.147 -99.200 -91.000 TYR 119 0.840 84.690 -56.350 -81.620 -99.200 -91.000 TYR 124 0.840 71.406 -46.641 -90.675 -99.200 -91.000 PHE 138 1.000 68.467 -38.610 -71.619 -99.200 -91.000 PHE 152 1.000 85.362 -27.232 -89.288 -99.200 -91.000 PHE 154 1.000 94.304 -21.918 -92.616 -99.200 -91.000 TYR 155 0.840 88.717 -24.834 -83.241 -99.200 -91.000 PHE 160 1.000 84.398 -22.136 -87.046 -99.200 -91.000 HIS 170 0.900 85.496 -33.602 -92.759 -99.200 -91.000 PHE 177 1.000 74.581 -31.125 -74.378 -99.200 -91.000 HIS 192 0.900 79.688 -16.131 -75.548 -99.200 -91.000 TYR 193 0.840 73.751 -22.016 -73.311 -99.200 -91.000 TYR 194 0.840 81.423 -25.347 -75.692 -99.200 -91.000 TYR 195 0.840 75.149 -28.923 -80.681 -99.200 -91.000 TRP 201 1.040 90.448 -33.332 -91.174 -99.200 -91.000 TRP6 201 1.020 89.810 -31.077 -91.450 -99.200 -91.000 TRP 205 1.040 92.029 -29.002 -87.638 -99.200 -91.000 TRP6 205 1.020 89.875 -29.363 -86.735 -99.200 -91.000 PHE 210 1.000 88.039 -34.542 -79.136 -99.200 -91.000 PHE 231 1.000 72.066 -40.948 -91.298 -99.200 -91.000