============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 6 1.000 37.816 38.481 77.096 -99.200 -91.000 TYR 25 0.840 37.772 31.841 85.783 -99.200 -91.000 HIS 38 0.900 36.353 35.888 73.099 -99.200 -91.000 TRP 43 1.040 43.269 45.079 63.984 -99.200 -91.000 TRP6 43 1.020 44.040 43.909 62.067 -99.200 -91.000 TYR 51 0.840 29.652 40.990 66.516 -99.200 -91.000 PHE 58 1.000 19.167 40.483 75.751 -99.200 -91.000 PHE 59 1.000 25.383 38.989 80.079 -99.200 -91.000 PHE 65 1.000 27.838 44.041 79.841 -99.200 -91.000 TYR 70 0.840 43.718 48.608 73.898 -99.200 -91.000 TRP 96 1.040 12.384 46.737 81.487 -99.200 -91.000 TRP6 96 1.020 14.617 47.545 81.424 -99.200 -91.000 PHE 103 1.000 14.881 38.292 84.820 -99.200 -91.000 TYR 110 0.840 23.669 46.081 83.587 -99.200 -91.000 TYR 112 0.840 29.121 48.179 77.880 -99.200 -91.000 HIS 127 0.900 22.763 50.726 76.623 -99.200 -91.000 TYR 129 0.840 29.635 59.326 79.624 -99.200 -91.000 TYR 133 0.840 35.768 57.626 87.073 -99.200 -91.000 PHE 149 1.000 47.093 39.021 74.920 -99.200 -91.000 TYR 150 0.840 48.970 48.584 75.725 -99.200 -91.000 HIS 161 0.900 42.909 44.306 89.787 -99.200 -91.000 PHE 166 1.000 40.930 49.568 92.196 -99.200 -91.000 HIS 178 0.900 37.507 67.295 75.582 -99.200 -91.000 PHE 183 1.000 31.370 53.520 65.872 -99.200 -91.000 HIS 204 0.900 28.287 35.641 58.391 -99.200 -91.000 PHE 206 1.000 20.518 31.694 62.004 -99.200 -91.000 TRP 210 1.040 20.237 40.963 60.938 -99.200 -91.000 TRP6 210 1.020 21.375 40.785 63.010 -99.200 -91.000 HIS 214 0.900 15.390 51.066 65.630 -99.200 -91.000 TYR 225 0.840 5.709 43.647 62.478 -99.200 -91.000 PHE 239 1.000 15.984 40.668 47.244 -99.200 -91.000 PHE 247 1.000 13.710 34.591 60.186 -99.200 -91.000 TYR 259 0.840 13.840 39.278 59.377 -99.200 -91.000 TYR 265 0.840 19.142 48.637 63.832 -99.200 -91.000 TYR 277 0.840 25.712 32.614 54.415 -99.200 -91.000 TYR 279 0.840 20.723 34.311 45.109 -99.200 -91.000 HIS 280 0.900 29.347 34.243 46.621 -99.200 -91.000