============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. HIS 22 0.900 18.129 18.660 75.082 -99.200 -91.000 PHE 25 1.000 14.808 28.998 81.034 -99.200 -91.000 TRP 35 1.040 19.177 17.542 90.813 -99.200 -91.000 TRP6 35 1.020 21.518 17.248 91.061 -99.200 -91.000 TYR 42 0.840 16.385 17.083 82.989 -99.200 -91.000 PHE 45 1.000 25.781 9.836 78.486 -99.200 -91.000 HIS 56 0.900 27.366 20.854 84.481 -99.200 -91.000 HIS 58 0.900 37.549 18.102 89.905 -99.200 -91.000 HIS 74 0.900 39.077 43.344 83.250 -99.200 -91.000 PHE 77 1.000 49.212 39.187 80.559 -99.200 -91.000 TYR 82 0.840 45.632 38.683 84.496 -99.200 -91.000 TYR 85 0.840 47.455 36.232 79.298 -99.200 -91.000 PHE 100 1.000 57.235 23.427 66.737 -99.200 -91.000 PHE 133 1.000 40.745 20.610 55.031 -99.200 -91.000 TYR 137 0.840 30.558 26.032 64.607 -99.200 -91.000 HIS 138 0.900 37.451 25.963 61.536 -99.200 -91.000 HIS 142 0.900 30.166 39.897 59.788 -99.200 -91.000 TYR 143 0.840 38.865 35.149 57.936 -99.200 -91.000 TYR 154 0.840 26.256 26.353 62.355 -99.200 -91.000 HIS 164 0.900 40.013 37.639 48.498 -99.200 -91.000 TYR 166 0.840 40.374 31.340 48.037 -99.200 -91.000 TYR 170 0.840 38.050 16.559 58.215 -99.200 -91.000 HIS 175 0.900 28.464 10.411 54.740 -99.200 -91.000 HIS 187 0.900 48.318 19.594 45.414 -99.200 -91.000 PHE 190 1.000 47.787 25.111 47.346 -99.200 -91.000 PHE 213 1.000 31.828 14.256 68.323 -99.200 -91.000 TYR 214 0.840 31.721 12.402 59.414 -99.200 -91.000 PHE 220 1.000 43.766 14.967 54.978 -99.200 -91.000 HIS 231 0.900 52.837 24.362 47.965 -99.200 -91.000 PHE 251 1.000 45.864 20.892 73.045 -99.200 -91.000 PHE 265 1.000 44.770 27.139 74.545 -99.200 -91.000 PHE 273 1.000 34.669 28.576 86.356 -99.200 -91.000 TYR 297 0.840 34.917 41.081 79.483 -99.200 -91.000 PHE 314 1.000 41.872 16.503 81.249 -99.200 -91.000 HIS 341 0.900 17.048 -0.649 67.729 -99.200 -91.000 PHE 359 1.000 24.453 6.561 57.222 -99.200 -91.000 HIS 364 0.900 26.662 3.272 55.224 -99.200 -91.000 TYR 392 0.840 24.273 15.862 54.328 -99.200 -91.000 TYR 393 0.840 20.764 19.663 59.702 -99.200 -91.000 PHE 420 1.000 19.138 4.357 68.300 -99.200 -91.000