============================================================================= 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. HIS 22 0.900 51.936 36.628 11.199 -99.200 -91.000 PHE 24 1.000 45.222 35.315 19.304 -99.200 -91.000 PHE 29 1.000 43.554 30.950 11.673 -99.200 -91.000 PHE 46 1.000 46.373 33.540 1.948 -99.200 -91.000 TYR 59 0.840 43.050 42.105 20.395 -99.200 -91.000 TRP 71 1.040 41.813 42.448 33.768 -99.200 -91.000 TRP6 71 1.020 41.667 43.794 35.707 -99.200 -91.000 HIS 93 0.900 50.532 26.753 47.987 -99.200 -91.000 TYR 95 0.840 51.097 34.170 39.002 -99.200 -91.000 TYR 96 0.840 55.390 27.973 37.633 -99.200 -91.000 PHE 99 1.000 47.993 34.158 28.756 -99.200 -91.000 TYR 101 0.840 45.862 28.821 20.162 -99.200 -91.000 HIS 103 0.900 56.174 33.854 23.230 -99.200 -91.000 PHE 124 1.000 42.161 27.010 39.055 -99.200 -91.000 TYR 127 0.840 38.979 29.127 28.381 -99.200 -91.000 TYR 130 0.840 36.711 19.687 29.040 -99.200 -91.000 TYR 143 0.840 49.542 12.880 25.012 -99.200 -91.000 TYR 145 0.840 57.159 20.477 27.760 -99.200 -91.000 TYR 146 0.840 55.594 16.684 30.862 -99.200 -91.000 TRP 157 1.040 52.226 17.572 35.132 -99.200 -91.000 TRP6 157 1.020 51.508 19.778 34.678 -99.200 -91.000 TRP 163 1.040 37.037 26.470 37.380 -99.200 -91.000 TRP6 163 1.020 36.845 28.777 37.866 -99.200 -91.000 HIS 166 0.900 34.353 27.673 44.329 -99.200 -91.000 HIS 167 0.900 31.454 28.236 47.886 -99.200 -91.000 PHE 173 1.000 30.307 34.743 36.434 -99.200 -91.000 HIS 176 0.900 31.949 41.826 39.507 -99.200 -91.000 HIS 183 0.900 26.569 51.031 38.278 -99.200 -91.000 PHE 184 1.000 20.167 48.397 33.559 -99.200 -91.000 PHE 196 1.000 22.776 35.015 33.364 -99.200 -91.000 HIS 199 0.900 33.711 31.986 21.107 -99.200 -91.000 TYR 212 0.840 31.055 26.859 26.182 -99.200 -91.000 TYR 229 0.840 15.003 31.347 39.881 -99.200 -91.000 TYR 233 0.840 17.054 33.111 33.867 -99.200 -91.000 TRP 237 1.040 24.347 30.077 23.236 -99.200 -91.000 TRP6 237 1.020 25.600 28.889 24.855 -99.200 -91.000 TRP 246 1.040 29.501 29.085 14.278 -99.200 -91.000 TRP6 246 1.020 31.291 29.656 15.713 -99.200 -91.000 PHE 273 1.000 38.239 34.806 29.150 -99.200 -91.000 HIS 277 0.900 37.171 37.746 26.879 -99.200 -91.000 TYR 282 0.840 35.658 45.284 18.056 -99.200 -91.000 TYR 288 0.840 27.481 41.838 19.706 -99.200 -91.000 PHE 313 1.000 38.041 34.753 39.319 -99.200 -91.000 HIS 322 0.900 42.588 24.469 51.666 -99.200 -91.000 HIS 324 0.900 43.036 19.300 41.998 -99.200 -91.000 PHE 353 1.000 50.347 14.126 31.433 -99.200 -91.000 PHE 354 1.000 46.141 16.312 32.950 -99.200 -91.000