============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 2 1.000 8.820 63.897 78.714 -99.200 -91.000 PHE 6 1.000 17.628 66.745 83.892 -99.200 -91.000 TYR 9 0.840 14.184 68.993 93.290 -99.200 -91.000 PHE 11 1.000 23.242 68.183 86.345 -99.200 -91.000 TYR 12 0.840 22.196 64.946 94.799 -99.200 -91.000 TRP 26 1.040 33.064 68.452 80.123 -99.200 -91.000 TRP6 26 1.020 31.411 66.925 79.392 -99.200 -91.000 TYR 42 0.840 24.602 69.314 62.029 -99.200 -91.000 PHE 46 1.000 28.565 81.140 62.903 -99.200 -91.000 PHE 50 1.000 30.214 92.114 63.265 -99.200 -91.000 PHE 62 1.000 17.223 74.292 67.482 -99.200 -91.000 PHE 66 1.000 17.901 68.522 70.340 -99.200 -91.000 TYR 75 0.840 33.449 66.784 84.693 -99.200 -91.000 HIS 80 0.900 35.954 65.415 90.071 -99.200 -91.000 TYR 85 0.840 20.485 67.260 80.086 -99.200 -91.000 TRP 91 1.040 13.269 67.567 70.219 -99.200 -91.000 TRP6 91 1.020 13.316 69.712 69.221 -99.200 -91.000 PHE 101 1.000 10.830 87.267 82.327 -99.200 -91.000 PHE 139 1.000 25.796 98.188 96.652 -99.200 -91.000 HIS 143 0.900 23.873 99.532 92.752 -99.200 -91.000 TYR 146 0.840 24.136 101.965 86.435 -99.200 -91.000 TYR 174 0.840 31.105 90.712 108.864 -99.200 -91.000 HIS 227 0.900 15.071 85.584 92.529 -99.200 -91.000 HIS 247 0.900 16.058 80.023 97.852 -99.200 -91.000 TYR 248 0.840 17.768 81.493 92.543 -99.200 -91.000 PHE 263 1.000 37.565 83.777 69.339 -99.200 -91.000 TYR 266 0.840 38.662 74.395 79.128 -99.200 -91.000 HIS 281 0.900 21.690 81.211 74.388 -99.200 -91.000 TRP 292 1.040 15.723 86.446 82.382 -99.200 -91.000 TRP6 292 1.020 17.632 87.759 81.871 -99.200 -91.000 HIS 293 0.900 21.786 81.135 78.830 -99.200 -91.000 HIS 299 0.900 39.835 87.504 72.207 -99.200 -91.000 TRP 302 1.040 41.790 91.118 72.725 -99.200 -91.000 TRP6 302 1.020 43.905 92.032 73.276 -99.200 -91.000 TRP 316 1.040 26.329 84.034 62.815 -99.200 -91.000 TRP6 316 1.020 25.539 82.689 61.033 -99.200 -91.000 PHE 324 1.000 15.777 77.455 63.148 -99.200 -91.000 TYR 333 0.840 25.541 95.222 76.386 -99.200 -91.000 TYR 334 0.840 31.642 91.328 82.282 -99.200 -91.000 TYR 411 0.840 35.265 98.383 69.515 -99.200 -91.000 TYR 415 0.840 39.675 94.521 71.141 -99.200 -91.000 PHE 424 1.000 28.549 107.785 91.165 -99.200 -91.000 TYR 428 0.840 27.323 109.947 86.851 -99.200 -91.000 TYR 439 0.840 30.680 109.277 81.283 -99.200 -91.000 TYR 443 0.840 25.730 109.627 75.877 -99.200 -91.000 PHE 457 1.000 22.208 107.507 68.635 -99.200 -91.000