============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. PHE 6 1.000 15.000 7.520 20.961 -99.200 -91.000 TYR 25 0.840 10.942 8.831 36.002 -99.200 -91.000 TRP 28 1.040 8.834 11.292 32.412 -99.200 -91.000 TRP6 28 1.020 7.079 12.497 31.392 -99.200 -91.000 HIS 37 0.900 24.379 24.136 31.930 -99.200 -91.000 HIS 39 0.900 28.659 21.867 34.619 -99.200 -91.000 PHE 44 1.000 29.717 11.500 39.964 -99.200 -91.000 PHE 48 1.000 32.333 5.846 37.155 -99.200 -91.000 PHE 49 1.000 31.612 10.023 44.437 -99.200 -91.000 TYR 56 0.840 41.509 5.339 41.845 -99.200 -91.000 TYR 70 0.840 33.515 13.408 53.396 -99.200 -91.000 TYR 71 0.840 33.934 11.894 48.622 -99.200 -91.000 PHE 73 1.000 24.668 20.754 47.141 -99.200 -91.000 PHE 83 1.000 27.086 21.970 42.227 -99.200 -91.000 PHE 94 1.000 37.321 14.539 38.583 -99.200 -91.000 HIS 95 0.900 44.775 7.618 42.254 -99.200 -91.000 TYR 97 0.840 46.263 11.347 32.860 -99.200 -91.000 HIS 106 0.900 30.767 2.821 33.197 -99.200 -91.000 PHE 109 1.000 25.329 1.555 27.933 -99.200 -91.000 TYR 112 0.840 22.078 3.485 23.454 -99.200 -91.000 PHE 120 1.000 28.063 14.031 28.661 -99.200 -91.000 TYR 122 0.840 37.001 18.356 29.599 -99.200 -91.000 PHE 126 1.000 35.568 20.009 39.454 -99.200 -91.000 PHE 129 1.000 40.806 20.722 42.427 -99.200 -91.000 TYR 131 0.840 44.064 12.381 43.142 -99.200 -91.000 HIS 139 0.900 40.329 17.551 24.690 -99.200 -91.000 HIS 155 0.900 29.509 7.264 15.131 -99.200 -91.000 HIS 158 0.900 24.532 11.523 15.857 -99.200 -91.000 HIS 168 0.900 39.133 24.632 39.777 -99.200 -91.000 PHE 179 1.000 42.870 21.737 27.066 -99.200 -91.000 HIS 183 0.900 43.625 20.145 22.758 -99.200 -91.000 PHE 187 1.000 37.297 21.349 24.487 -99.200 -91.000 PHE 190 1.000 36.128 29.326 27.289 -99.200 -91.000 HIS 192 0.900 32.950 31.748 34.990 -99.200 -91.000 HIS 195 0.900 32.870 30.626 44.154 -99.200 -91.000 TYR 202 0.840 37.762 37.023 34.087 -99.200 -91.000 PHE 206 1.000 34.272 34.534 28.713 -99.200 -91.000 TYR 208 0.840 42.406 34.429 21.203 -99.200 -91.000 HIS 219 0.900 27.399 27.227 34.172 -99.200 -91.000 TYR 233 0.840 20.616 44.145 32.005 -99.200 -91.000 HIS 246 0.900 21.941 26.717 36.042 -99.200 -91.000 HIS 284 0.900 12.882 26.302 37.407 -99.200 -91.000 TYR 290 0.840 6.783 26.369 26.714 -99.200 -91.000 PHE 305 1.000 22.428 18.873 41.201 -99.200 -91.000 TYR 313 0.840 12.605 16.079 29.225 -99.200 -91.000 TYR 317 0.840 2.669 14.698 33.695 -99.200 -91.000 HIS 319 0.900 6.473 19.134 41.856 -99.200 -91.000 PHE 322 1.000 6.998 23.383 31.170 -99.200 -91.000 PHE 327 1.000 8.183 17.583 29.126 -99.200 -91.000 TRP 331 1.040 12.121 26.396 20.410 -99.200 -91.000 TRP6 331 1.020 10.820 26.887 22.314 -99.200 -91.000 PHE 337 1.000 27.068 26.672 21.394 -99.200 -91.000 TYR 349 0.840 16.073 10.170 16.766 -99.200 -91.000 PHE 350 1.000 13.582 16.449 17.548 -99.200 -91.000