============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 4 1.000 46.707 21.651 -3.847 -99.200 -91.000 PHE 6 1.000 52.734 30.775 -4.186 -99.200 -91.000 PHE 21 1.000 41.048 36.365 -7.278 -99.200 -91.000 PHE 29 1.000 45.202 29.606 -13.087 -99.200 -91.000 PHE 60 1.000 26.197 29.547 -1.721 -99.200 -91.000 PHE 67 1.000 15.211 26.009 -4.699 -99.200 -91.000 HIS 91 0.900 27.993 27.004 8.806 -99.200 -91.000 HIS 92 0.900 27.516 20.320 1.245 -99.200 -91.000 HIS 94 0.900 33.897 27.736 5.738 -99.200 -91.000 HIS 99 0.900 36.911 16.163 4.601 -99.200 -91.000 TYR 100 0.840 33.729 16.912 -3.335 -99.200 -91.000 HIS 107 0.900 31.890 36.852 -4.823 -99.200 -91.000 HIS 110 0.900 25.763 40.661 -10.404 -99.200 -91.000 TRP 118 1.040 22.072 37.827 1.146 -99.200 -91.000 TRP6 118 1.020 22.980 37.724 -1.041 -99.200 -91.000 HIS 129 0.900 33.414 30.639 10.460 -99.200 -91.000 PHE 130 1.000 38.749 37.241 12.202 -99.200 -91.000 PHE 138 1.000 29.204 33.380 2.256 -99.200 -91.000 HIS 141 0.900 29.698 38.678 1.867 -99.200 -91.000 TYR 160 0.840 28.071 47.317 3.337 -99.200 -91.000 HIS 189 0.900 15.669 57.151 -21.429 -99.200 -91.000 TYR 196 0.840 28.746 49.472 -20.763 -99.200 -91.000 TYR 204 0.840 36.252 58.499 -7.234 -99.200 -91.000 TYR 206 0.840 44.979 51.193 -7.188 -99.200 -91.000 PHE 216 1.000 40.647 47.679 -4.652 -99.200 -91.000 PHE 222 1.000 34.745 43.097 -20.713 -99.200 -91.000 HIS 226 0.900 26.199 42.248 -16.061 -99.200 -91.000 TYR 229 0.840 16.190 44.470 -23.622 -99.200 -91.000 TYR 247 0.840 44.297 56.902 -16.236 -99.200 -91.000 HIS 252 0.900 47.395 55.198 -8.678 -99.200 -91.000 HIS 256 0.900 50.896 43.765 -18.543 -99.200 -91.000 PHE 261 1.000 40.038 45.230 -14.771 -99.200 -91.000 PHE 263 1.000 33.758 38.203 -19.879 -99.200 -91.000 HIS 264 0.900 29.832 40.671 -12.777 -99.200 -91.000 TYR 280 0.840 43.601 42.807 -23.147 -99.200 -91.000 TRP 293 1.040 20.919 23.357 -21.813 -99.200 -91.000 TRP6 293 1.020 18.659 22.756 -22.201 -99.200 -91.000 TRP 296 1.040 15.623 20.558 -18.699 -99.200 -91.000 TRP6 296 1.020 14.115 19.243 -17.431 -99.200 -91.000 TYR 302 0.840 17.341 8.566 -15.358 -99.200 -91.000 TYR 303 0.840 10.405 11.784 -19.458 -99.200 -91.000 TYR 309 0.840 12.087 0.462 -17.877 -99.200 -91.000 TYR 327 0.840 14.484 1.670 -14.506 -99.200 -91.000 TYR 328 0.840 9.962 5.387 -7.923 -99.200 -91.000 TRP 333 1.040 15.056 11.602 -10.446 -99.200 -91.000 TRP6 333 1.020 14.542 13.782 -9.687 -99.200 -91.000 PHE 349 1.000 37.011 24.384 -13.446 -99.200 -91.000