============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 9 0.900 23.689 17.252 8.530 -99.200 -91.000 HIS 13 0.900 32.516 18.806 17.769 -99.200 -91.000 PHE 16 1.000 26.076 9.911 25.150 -99.200 -91.000 PHE 18 1.000 19.458 8.003 25.676 -99.200 -91.000 TYR 21 0.840 11.896 3.914 20.595 -99.200 -91.000 TRP 34 1.040 15.406 8.366 28.841 -99.200 -91.000 TRP6 34 1.020 14.905 9.429 26.787 -99.200 -91.000 TRP 47 1.040 23.639 12.098 14.295 -99.200 -91.000 TRP6 47 1.020 21.886 13.024 13.008 -99.200 -91.000 HIS 54 0.900 17.280 10.505 17.716 -99.200 -91.000 TRP 55 1.040 20.542 17.249 14.726 -99.200 -91.000 TRP6 55 1.020 22.855 17.644 15.038 -99.200 -91.000 TYR 67 0.840 9.223 20.165 22.736 -99.200 -91.000 TYR 70 0.840 4.854 28.232 15.233 -99.200 -91.000 HIS 72 0.900 14.075 28.490 12.360 -99.200 -91.000 PHE 73 1.000 14.304 23.440 16.356 -99.200 -91.000 PHE 79 1.000 4.783 10.218 17.675 -99.200 -91.000 TYR 88 0.840 0.189 10.108 15.912 -99.200 -91.000 PHE 90 1.000 -4.562 8.647 17.090 -99.200 -91.000 PHE 103 1.000 -8.464 20.698 13.165 -99.200 -91.000 PHE 142 1.000 -0.945 2.500 41.432 -99.200 -91.000 TYR 146 0.840 -6.075 3.995 41.326 -99.200 -91.000 PHE 150 1.000 -8.263 7.567 38.613 -99.200 -91.000 PHE 155 1.000 -12.153 8.619 25.703 -99.200 -91.000 HIS 168 0.900 -12.985 -4.307 20.624 -99.200 -91.000 TYR 171 0.840 -6.498 -6.836 21.947 -99.200 -91.000 PHE 185 1.000 -0.521 3.445 15.220 -99.200 -91.000 TYR 193 0.840 -9.220 6.832 13.183 -99.200 -91.000 TYR 195 0.840 -16.279 2.372 20.680 -99.200 -91.000 PHE 248 1.000 3.404 11.590 37.448 -99.200 -91.000 PHE 251 1.000 8.208 6.108 35.594 -99.200 -91.000 PHE 255 1.000 9.712 9.366 46.302 -99.200 -91.000 HIS 262 0.900 9.963 11.905 50.385 -99.200 -91.000 PHE 284 1.000 9.739 9.476 40.584 -99.200 -91.000 TYR 297 0.840 17.319 27.838 13.644 -99.200 -91.000 PHE 299 1.000 18.296 25.172 19.011 -99.200 -91.000 HIS 300 0.900 21.285 27.404 22.074 -99.200 -91.000 HIS 329 0.900 19.062 14.596 46.644 -99.200 -91.000 PHE 332 1.000 6.324 14.908 48.332 -99.200 -91.000 HIS 339 0.900 6.657 20.346 35.413 -99.200 -91.000 PHE 342 1.000 1.047 17.803 32.920 -99.200 -91.000 HIS 344 0.900 8.174 26.056 26.986 -99.200 -91.000 HIS 347 0.900 1.640 20.767 18.730 -99.200 -91.000 HIS 353 0.900 -5.371 23.031 33.154 -99.200 -91.000 TRP 366 1.040 -2.695 3.695 47.843 -99.200 -91.000 TRP6 366 1.020 -3.331 2.031 46.285 -99.200 -91.000 PHE 373 1.000 1.644 2.919 49.373 -99.200 -91.000 HIS 383 0.900 11.650 2.556 36.457 -99.200 -91.000 TRP 398 1.040 -2.986 -3.073 51.638 -99.200 -91.000 TRP6 398 1.020 -2.793 -3.054 49.280 -99.200 -91.000