============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 14 1.040 50.362 40.245 34.062 -99.200 -91.000 TRP6 14 1.020 48.681 39.546 35.576 -99.200 -91.000 PHE 19 1.000 56.377 39.878 14.674 -99.200 -91.000 TRP 37 1.040 48.556 55.171 28.880 -99.200 -91.000 TRP6 37 1.020 50.428 56.404 28.099 -99.200 -91.000 HIS 43 0.900 66.754 46.761 26.925 -99.200 -91.000 TYR 47 0.840 65.839 51.273 15.120 -99.200 -91.000 TRP 49 1.040 76.196 51.985 14.484 -99.200 -91.000 TRP6 49 1.020 77.050 51.775 16.675 -99.200 -91.000 PHE 53 1.000 68.020 59.637 17.002 -99.200 -91.000 HIS 65 0.900 50.425 29.239 26.029 -99.200 -91.000 TYR 70 0.840 46.194 36.328 14.020 -99.200 -91.000 TYR 84 0.840 54.277 59.277 25.550 -99.200 -91.000 HIS 86 0.900 63.365 58.594 32.958 -99.200 -91.000 TYR 89 0.840 68.105 53.242 28.637 -99.200 -91.000 TRP 91 1.040 71.651 54.901 25.174 -99.200 -91.000 TRP6 91 1.020 73.347 55.513 23.644 -99.200 -91.000 PHE 110 1.000 41.214 45.601 30.125 -99.200 -91.000 TYR 113 0.840 41.838 33.354 26.285 -99.200 -91.000 HIS 115 0.900 42.011 41.721 34.251 -99.200 -91.000 TYR 132 0.840 59.119 38.406 51.449 -99.200 -91.000 TRP 139 1.040 55.951 34.128 23.852 -99.200 -91.000 TRP6 139 1.020 54.801 36.108 24.467 -99.200 -91.000 TRP 146 1.040 77.254 35.701 22.565 -99.200 -91.000 TRP6 146 1.020 77.623 33.623 23.633 -99.200 -91.000 PHE 183 1.000 63.428 44.022 41.270 -99.200 -91.000 TYR 187 0.840 65.956 29.923 42.702 -99.200 -91.000 PHE 206 1.000 60.830 39.871 39.992 -99.200 -91.000 PHE 212 1.000 49.685 40.843 53.725 -99.200 -91.000 TRP 216 1.040 48.818 37.369 40.170 -99.200 -91.000 TRP6 216 1.020 50.790 36.080 40.415 -99.200 -91.000 TYR 217 0.840 49.599 45.069 43.832 -99.200 -91.000 TRP 224 1.040 71.181 45.669 33.767 -99.200 -91.000 TRP6 224 1.020 73.138 44.996 34.909 -99.200 -91.000 TYR 234 0.840 72.855 36.821 42.065 -99.200 -91.000 PHE 236 1.000 71.964 43.474 38.416 -99.200 -91.000 TYR 237 0.840 64.448 40.898 36.850 -99.200 -91.000 HIS 239 0.900 62.356 49.478 43.381 -99.200 -91.000 PHE 241 1.000 56.866 52.884 45.582 -99.200 -91.000 TRP 246 1.040 59.207 59.212 33.385 -99.200 -91.000 TRP6 246 1.020 58.675 57.364 31.993 -99.200 -91.000