============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. HIS 7 0.900 39.387 -20.422 2.556 -99.200 -91.000 TYR 8 0.840 42.159 -14.303 0.251 -99.200 -91.000 TYR 10 0.840 35.524 -22.158 -5.316 -99.200 -91.000 HIS 19 0.900 46.155 -8.823 -7.978 -99.200 -91.000 PHE 30 1.000 58.812 -11.216 1.948 -99.200 -91.000 TYR 37 0.840 64.602 -13.472 4.091 -99.200 -91.000 HIS 40 0.900 73.389 -18.481 0.866 -99.200 -91.000 PHE 46 1.000 84.005 -3.819 -4.953 -99.200 -91.000 TRP 55 1.040 69.312 -7.928 -5.799 -99.200 -91.000 TRP6 55 1.020 69.911 -10.170 -5.359 -99.200 -91.000 HIS 56 0.900 71.360 -10.990 -14.746 -99.200 -91.000 HIS 59 0.900 72.230 -16.436 -12.214 -99.200 -91.000 TRP 75 1.040 80.085 -13.045 -5.601 -99.200 -91.000 TRP6 75 1.020 79.131 -12.559 -3.492 -99.200 -91.000 TYR 77 0.840 73.441 -14.964 -3.893 -99.200 -91.000 PHE 85 1.000 87.602 -5.920 -10.147 -99.200 -91.000 PHE 100 1.000 73.022 -6.099 -14.066 -99.200 -91.000 PHE 103 1.000 65.977 -3.456 -25.732 -99.200 -91.000 PHE 109 1.000 72.064 1.658 -20.468 -99.200 -91.000 PHE 122 1.000 79.107 -6.838 -15.906 -99.200 -91.000 PHE 130 1.000 74.489 6.624 -23.261 -99.200 -91.000 TRP 136 1.040 89.745 16.684 -14.180 -99.200 -91.000 TRP6 136 1.020 90.753 15.017 -12.823 -99.200 -91.000 TYR 138 0.840 80.501 19.129 -15.186 -99.200 -91.000 TRP 139 1.040 80.704 14.333 -8.450 -99.200 -91.000 TRP6 139 1.020 81.799 16.158 -7.423 -99.200 -91.000 TYR 140 0.840 77.226 14.212 -16.196 -99.200 -91.000 HIS 169 0.900 68.715 12.595 -29.625 -99.200 -91.000 PHE 172 1.000 65.566 19.875 -19.910 -99.200 -91.000 HIS 177 0.900 66.351 19.294 -7.640 -99.200 -91.000 HIS 183 0.900 67.191 7.559 -7.936 -99.200 -91.000 PHE 186 1.000 63.836 8.096 -18.008 -99.200 -91.000 TRP 192 1.040 53.348 11.512 -19.178 -99.200 -91.000 TRP6 192 1.020 52.609 12.664 -17.242 -99.200 -91.000 TRP 206 1.040 61.513 17.463 -12.608 -99.200 -91.000 TRP6 206 1.020 61.964 19.785 -12.670 -99.200 -91.000 TYR 217 0.840 58.725 23.489 -9.203 -99.200 -91.000 HIS 223 0.900 61.766 15.346 1.204 -99.200 -91.000 TYR 231 0.840 65.502 4.222 -4.670 -99.200 -91.000 PHE 232 1.000 57.755 7.530 -9.468 -99.200 -91.000 TYR 252 0.840 56.303 13.158 -0.376 -99.200 -91.000 TYR 255 0.840 46.321 9.076 -1.950 -99.200 -91.000 TRP 257 1.040 52.105 12.682 -7.689 -99.200 -91.000 TRP6 257 1.020 53.315 10.828 -6.848 -99.200 -91.000 HIS 266 0.900 65.990 4.082 9.555 -99.200 -91.000 HIS 268 0.900 67.521 8.085 7.355 -99.200 -91.000 PHE 271 1.000 81.555 9.896 9.023 -99.200 -91.000 HIS 273 0.900 85.795 10.177 5.369 -99.200 -91.000 TRP 281 1.040 59.372 1.625 -3.240 -99.200 -91.000 TRP6 281 1.020 57.551 1.997 -1.785 -99.200 -91.000 HIS 282 0.900 59.330 -7.958 -1.309 -99.200 -91.000 TYR 285 0.840 54.491 -9.562 -0.590 -99.200 -91.000 TYR 293 0.840 75.768 6.870 11.694 -99.200 -91.000 TYR 309 0.840 60.782 1.448 9.608 -99.200 -91.000 HIS 318 0.900 62.886 -9.714 11.019 -99.200 -91.000 PHE 334 1.000 63.537 -7.363 0.681 -99.200 -91.000 PHE 347 1.000 86.998 -0.875 2.443 -99.200 -91.000 TRP 352 1.040 71.226 -9.590 4.891 -99.200 -91.000 TRP6 352 1.020 71.585 -9.981 7.190 -99.200 -91.000