============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 67 rings ring int. center anis. iso. HIS 2 0.900 58.307 52.053 -46.157 -99.200 -91.000 PHE 10 1.000 29.322 45.052 -48.139 -99.200 -91.000 PHE 12 1.000 40.931 41.648 -50.591 -99.200 -91.000 HIS 36 0.900 53.429 52.407 -47.844 -99.200 -91.000 PHE 41 1.000 39.459 45.565 -39.761 -99.200 -91.000 HIS 45 0.900 30.150 39.535 -48.862 -99.200 -91.000 PHE 48 1.000 37.592 33.146 -47.208 -99.200 -91.000 PHE 59 1.000 19.968 46.838 -37.959 -99.200 -91.000 TYR 69 0.840 46.006 37.082 -39.657 -99.200 -91.000 TYR 78 0.840 42.793 40.892 -39.412 -99.200 -91.000 TYR 91 0.840 27.951 44.381 -53.842 -99.200 -91.000 TRP 95 1.040 17.334 49.836 -50.547 -99.200 -91.000 TRP6 95 1.020 19.419 50.600 -51.364 -99.200 -91.000 PHE 105 1.000 32.941 45.841 -43.343 -99.200 -91.000 HIS 127 0.900 41.901 53.857 -50.040 -99.200 -91.000 PHE 128 1.000 35.115 55.855 -45.892 -99.200 -91.000 HIS 129 0.900 38.795 51.266 -51.472 -99.200 -91.000 TRP 131 1.040 26.174 52.398 -51.478 -99.200 -91.000 TRP6 131 1.020 24.783 51.371 -49.873 -99.200 -91.000 HIS 132 0.900 27.760 48.764 -51.416 -99.200 -91.000 PHE 135 1.000 25.405 52.571 -42.664 -99.200 -91.000 TYR 143 0.840 32.491 56.037 -31.333 -99.200 -91.000 PHE 144 1.000 38.809 53.036 -32.768 -99.200 -91.000 PHE 150 1.000 33.048 57.481 -49.975 -99.200 -91.000 HIS 153 0.900 36.727 51.217 -56.275 -99.200 -91.000 PHE 163 1.000 15.495 50.806 -38.304 -99.200 -91.000 TYR 164 0.840 17.869 50.300 -42.581 -99.200 -91.000 PHE 165 1.000 23.291 57.130 -42.524 -99.200 -91.000 HIS 166 0.900 17.791 57.933 -35.888 -99.200 -91.000 TYR 176 0.840 18.298 67.077 -44.432 -99.200 -91.000 HIS 183 0.900 26.344 65.502 -49.292 -99.200 -91.000 TYR 187 0.840 29.682 66.871 -43.308 -99.200 -91.000 TYR 199 0.840 31.889 57.487 -62.442 -99.200 -91.000 TRP 204 1.040 32.168 69.606 -61.358 -99.200 -91.000 TRP6 204 1.020 33.932 69.205 -59.842 -99.200 -91.000 PHE 206 1.000 28.412 62.429 -54.933 -99.200 -91.000 PHE 207 1.000 32.790 62.021 -58.096 -99.200 -91.000 PHE 210 1.000 31.344 65.264 -51.181 -99.200 -91.000 TYR 216 0.840 43.007 62.171 -62.194 -99.200 -91.000 PHE 218 1.000 43.567 57.778 -64.959 -99.200 -91.000 PHE 225 1.000 45.572 36.012 -63.752 -99.200 -91.000 TRP 226 1.040 44.181 40.269 -65.920 -99.200 -91.000 TRP6 226 1.020 42.338 38.948 -66.584 -99.200 -91.000 TYR 230 0.840 50.572 33.278 -66.534 -99.200 -91.000 PHE 246 1.000 32.448 28.614 -76.825 -99.200 -91.000 PHE 254 1.000 33.456 42.101 -84.270 -99.200 -91.000 PHE 256 1.000 28.361 42.760 -72.772 -99.200 -91.000 PHE 260 1.000 23.270 39.388 -70.490 -99.200 -91.000 PHE 283 1.000 24.747 38.255 -87.674 -99.200 -91.000 PHE 288 1.000 28.428 39.736 -83.115 -99.200 -91.000 TRP 301 1.040 16.758 40.684 -77.570 -99.200 -91.000 TRP6 301 1.020 17.370 42.950 -77.302 -99.200 -91.000 HIS 309 0.900 20.832 35.410 -85.920 -99.200 -91.000 PHE 323 1.000 37.254 29.323 -71.062 -99.200 -91.000 TYR 328 0.840 39.594 39.841 -71.469 -99.200 -91.000 PHE 333 1.000 38.370 44.231 -84.065 -99.200 -91.000 TYR 339 0.840 22.741 52.691 -71.885 -99.200 -91.000 PHE 340 1.000 26.851 54.000 -65.077 -99.200 -91.000 PHE 343 1.000 40.566 51.784 -64.798 -99.200 -91.000 PHE 403 1.000 43.982 50.436 -84.361 -99.200 -91.000 PHE 414 1.000 45.895 53.821 -68.053 -99.200 -91.000 TRP 416 1.040 46.330 46.798 -60.412 -99.200 -91.000 TRP6 416 1.020 44.415 47.998 -59.730 -99.200 -91.000 TYR 423 0.840 43.937 54.637 -54.383 -99.200 -91.000 TYR 427 0.840 46.250 55.659 -48.391 -99.200 -91.000 PHE 435 1.000 41.609 73.297 -55.021 -99.200 -91.000 PHE 437 1.000 40.173 78.179 -56.632 -99.200 -91.000