============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 14 1.000 37.219 10.548 20.673 -99.200 -91.000 TYR 31 0.840 33.164 -0.026 0.374 -99.200 -91.000 TYR 37 0.840 37.067 4.666 -1.510 -99.200 -91.000 HIS 42 0.900 24.996 9.185 -2.074 -99.200 -91.000 HIS 43 0.900 27.758 10.420 -10.208 -99.200 -91.000 HIS 48 0.900 28.763 16.068 5.636 -99.200 -91.000 PHE 55 1.000 37.060 4.360 7.527 -99.200 -91.000 TRP 63 1.040 45.387 -2.481 6.760 -99.200 -91.000 TRP6 63 1.020 46.105 -4.623 7.457 -99.200 -91.000 PHE 76 1.000 38.306 9.787 10.348 -99.200 -91.000 TYR 83 0.840 27.723 12.638 9.108 -99.200 -91.000 PHE 87 1.000 32.483 12.597 17.922 -99.200 -91.000 TYR 90 0.840 42.243 19.196 18.813 -99.200 -91.000 PHE 98 1.000 35.188 8.621 15.855 -99.200 -91.000 PHE 101 1.000 26.729 11.354 16.493 -99.200 -91.000 HIS 107 0.900 23.793 3.413 5.534 -99.200 -91.000 HIS 126 0.900 -1.687 -9.280 5.522 -99.200 -91.000 TRP 137 1.040 16.596 -7.236 6.063 -99.200 -91.000 TRP6 137 1.020 17.764 -6.176 7.825 -99.200 -91.000 TYR 140 0.840 17.229 -0.285 8.134 -99.200 -91.000 PHE 152 1.000 30.346 -2.498 11.157 -99.200 -91.000 TYR 167 0.840 -1.925 -9.050 18.958 -99.200 -91.000 PHE 172 1.000 9.772 -8.898 12.994 -99.200 -91.000 PHE 175 1.000 21.253 -6.337 15.756 -99.200 -91.000 TRP 176 1.040 22.976 0.148 11.470 -99.200 -91.000 TRP6 176 1.020 24.350 0.653 9.614 -99.200 -91.000 TYR 187 0.840 29.702 -18.933 42.682 -99.200 -91.000 PHE 199 1.000 19.548 -6.265 23.658 -99.200 -91.000 PHE 226 1.000 14.857 -5.737 22.277 -99.200 -91.000 PHE 231 1.000 21.862 -14.404 15.068 -99.200 -91.000 HIS 238 0.900 27.965 0.789 24.307 -99.200 -91.000 PHE 242 1.000 27.354 3.403 30.078 -99.200 -91.000 PHE 255 1.000 37.228 -11.077 33.123 -99.200 -91.000 PHE 258 1.000 36.326 -9.953 25.993 -99.200 -91.000 PHE 268 1.000 21.670 -15.048 23.885 -99.200 -91.000 HIS 275 0.900 22.638 -21.513 15.843 -99.200 -91.000 TYR 278 0.840 28.373 -13.286 15.103 -99.200 -91.000 TYR 281 0.840 36.672 -7.758 13.843 -99.200 -91.000 HIS 286 0.900 37.105 4.676 29.866 -99.200 -91.000 HIS 294 0.900 45.459 6.371 26.910 -99.200 -91.000 TYR 295 0.840 37.730 5.004 24.863 -99.200 -91.000 TYR 298 0.840 44.039 -5.213 24.661 -99.200 -91.000 TRP 307 1.040 44.373 -11.794 19.282 -99.200 -91.000 TRP6 307 1.020 42.404 -10.480 19.325 -99.200 -91.000 HIS 308 0.900 50.376 -7.164 16.080 -99.200 -91.000 PHE 310 1.000 46.794 -2.041 16.214 -99.200 -91.000 TYR 329 0.840 32.401 1.647 26.475 -99.200 -91.000 PHE 332 1.000 34.612 -3.000 17.097 -99.200 -91.000 TYR 333 0.840 32.684 -11.632 19.985 -99.200 -91.000