============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. HIS 1 0.900 11.284 0.139 39.350 -99.200 -91.000 PHE 2 1.000 4.213 3.991 40.056 -99.200 -91.000 PHE 31 1.000 -17.243 -13.283 42.903 -99.200 -91.000 TYR 40 0.840 -19.396 -21.709 42.380 -99.200 -91.000 PHE 80 1.000 -14.373 -13.124 54.376 -99.200 -91.000 PHE 81 1.000 -7.286 -17.136 51.072 -99.200 -91.000 TYR 82 0.840 -13.415 -20.525 45.713 -99.200 -91.000 PHE 83 1.000 -17.528 -18.119 47.067 -99.200 -91.000 PHE 84 1.000 -11.230 -9.855 50.912 -99.200 -91.000 HIS 86 0.900 -11.551 -17.659 42.667 -99.200 -91.000 PHE 87 1.000 -15.804 -8.014 44.698 -99.200 -91.000 PHE 89 1.000 -7.211 -13.733 42.542 -99.200 -91.000 TYR 90 0.840 -16.744 -9.976 38.887 -99.200 -91.000 TYR 98 0.840 -12.635 -0.255 29.565 -99.200 -91.000 TYR 102 0.840 -6.856 -2.627 38.889 -99.200 -91.000 PHE 106 1.000 -3.207 -2.584 56.272 -99.200 -91.000 PHE 108 1.000 -12.637 -0.514 52.303 -99.200 -91.000 TYR 109 0.840 -7.621 -5.546 50.485 -99.200 -91.000 TYR 112 0.840 -12.558 -9.248 56.714 -99.200 -91.000 PHE 124 1.000 -0.566 -4.317 46.568 -99.200 -91.000 TYR 126 0.840 -4.888 -12.124 38.971 -99.200 -91.000 TYR 150 0.840 3.336 1.515 59.197 -99.200 -91.000 PHE 153 1.000 1.918 -4.830 54.618 -99.200 -91.000 PHE 155 1.000 6.831 1.743 48.808 -99.200 -91.000 TYR 157 0.840 4.343 -9.995 52.638 -99.200 -91.000 TYR 168 0.840 -0.654 17.614 62.520 -99.200 -91.000 PHE 179 1.000 18.022 6.631 49.802 -99.200 -91.000 TYR 181 0.840 23.461 4.597 52.403 -99.200 -91.000 TYR 186 0.840 16.406 7.282 45.624 -99.200 -91.000 TYR 187 0.840 11.124 1.308 47.783 -99.200 -91.000 TYR 190 0.840 0.175 9.626 44.028 -99.200 -91.000 PHE 201 1.000 -14.724 22.912 57.753 -99.200 -91.000 PHE 203 1.000 -7.656 19.560 63.092 -99.200 -91.000 TYR 215 0.840 -4.750 24.083 50.298 -99.200 -91.000 PHE 237 1.000 4.727 9.529 41.700 -99.200 -91.000 PHE 240 1.000 2.161 17.934 46.358 -99.200 -91.000 PHE 247 1.000 -15.296 20.957 42.292 -99.200 -91.000 PHE 257 1.000 3.681 22.662 45.356 -99.200 -91.000 TYR 261 0.840 4.244 11.799 38.589 -99.200 -91.000 TYR 270 0.840 -15.092 20.812 32.161 -99.200 -91.000 TYR 277 0.840 -4.601 19.020 30.533 -99.200 -91.000 TYR 281 0.840 -4.453 12.350 28.957 -99.200 -91.000 TYR 305 0.840 -17.235 6.428 36.806 -99.200 -91.000 TYR 306 0.840 -10.750 4.239 28.193 -99.200 -91.000 PHE 313 1.000 -7.756 13.897 30.190 -99.200 -91.000