============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. TRP 4 1.040 34.043 37.518 0.758 -99.200 -91.000 TRP6 4 1.020 33.948 39.478 2.064 -99.200 -91.000 PHE 10 1.000 30.045 32.742 13.941 -99.200 -91.000 TRP 16 1.040 25.326 26.405 25.254 -99.200 -91.000 TRP6 16 1.020 24.530 27.058 23.130 -99.200 -91.000 PHE 34 1.000 24.813 34.627 17.267 -99.200 -91.000 PHE 38 1.000 27.527 37.248 13.047 -99.200 -91.000 PHE 42 1.000 29.492 39.312 6.714 -99.200 -91.000 PHE 55 1.000 35.818 41.068 -1.415 -99.200 -91.000 PHE 60 1.000 28.068 34.973 8.783 -99.200 -91.000 PHE 68 1.000 41.816 25.143 26.466 -99.200 -91.000 PHE 84 1.000 34.622 34.526 15.952 -99.200 -91.000 PHE 95 1.000 47.410 27.580 20.280 -99.200 -91.000 PHE 114 1.000 29.723 38.544 39.241 -99.200 -91.000 PHE 116 1.000 29.856 40.336 43.791 -99.200 -91.000 PHE 123 1.000 45.530 45.735 39.253 -99.200 -91.000 TYR 124 0.840 48.271 40.180 47.985 -99.200 -91.000 PHE 144 1.000 27.357 31.828 49.027 -99.200 -91.000 TYR 149 0.840 23.441 29.689 46.347 -99.200 -91.000 TRP 152 1.040 20.361 34.303 47.921 -99.200 -91.000 TRP6 152 1.020 21.949 34.573 46.201 -99.200 -91.000 HIS 157 0.900 18.700 36.932 46.292 -99.200 -91.000 TRP 159 1.040 16.794 31.012 37.785 -99.200 -91.000 TRP6 159 1.020 19.142 30.729 37.723 -99.200 -91.000 TYR 164 0.840 19.815 32.809 41.877 -99.200 -91.000 TYR 168 0.840 25.171 38.884 36.911 -99.200 -91.000 PHE 176 1.000 36.531 43.760 36.094 -99.200 -91.000 TYR 177 0.840 37.629 35.289 34.042 -99.200 -91.000 TRP 182 1.040 33.936 30.040 46.963 -99.200 -91.000 TRP6 182 1.020 31.993 31.162 47.720 -99.200 -91.000 TRP 197 1.040 44.970 35.756 54.452 -99.200 -91.000 TRP6 197 1.020 45.400 35.060 52.236 -99.200 -91.000 TRP 202 1.040 52.391 26.663 51.680 -99.200 -91.000 TRP6 202 1.020 50.411 27.150 50.495 -99.200 -91.000 PHE 205 1.000 45.291 29.344 53.232 -99.200 -91.000 PHE 208 1.000 42.941 24.836 58.728 -99.200 -91.000 HIS 212 0.900 43.558 21.172 42.182 -99.200 -91.000 PHE 221 1.000 46.685 24.862 39.759 -99.200 -91.000 HIS 231 0.900 48.622 36.795 52.874 -99.200 -91.000 PHE 232 1.000 49.719 31.792 52.976 -99.200 -91.000 PHE 236 1.000 53.064 28.499 47.198 -99.200 -91.000 HIS 246 0.900 53.603 19.242 51.383 -99.200 -91.000 TYR 250 0.840 47.674 21.358 46.974 -99.200 -91.000 PHE 264 1.000 40.459 17.905 50.235 -99.200 -91.000 HIS 265 0.900 38.380 21.914 56.525 -99.200 -91.000 PHE 268 1.000 42.876 27.648 44.606 -99.200 -91.000 PHE 274 1.000 27.688 34.313 44.673 -99.200 -91.000 TRP 276 1.040 27.826 30.644 36.428 -99.200 -91.000 TRP6 276 1.020 29.385 32.393 36.768 -99.200 -91.000 HIS 278 0.900 17.130 27.489 40.169 -99.200 -91.000 PHE 286 1.000 28.348 27.725 45.406 -99.200 -91.000 TYR 305 0.840 33.538 37.289 30.797 -99.200 -91.000 PHE 310 1.000 37.425 36.477 12.490 -99.200 -91.000 PHE 326 1.000 30.094 37.573 17.252 -99.200 -91.000 TYR 337 0.840 26.469 31.271 21.433 -99.200 -91.000 TYR 343 0.840 31.018 34.976 25.703 -99.200 -91.000 TYR 346 0.840 29.491 40.023 21.527 -99.200 -91.000 PHE 352 1.000 46.131 38.905 21.942 -99.200 -91.000 TYR 360 0.840 47.323 35.292 31.538 -99.200 -91.000