============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 2 0.900 -9.331 54.929 -8.524 -99.200 -91.000 HIS 10 0.900 7.663 37.689 -19.005 -99.200 -91.000 TRP 11 1.040 5.978 34.207 -16.693 -99.200 -91.000 TRP6 11 1.020 8.318 34.104 -16.368 -99.200 -91.000 HIS 26 0.900 -2.111 40.476 -18.547 -99.200 -91.000 TRP 62 1.040 3.283 29.900 -0.197 -99.200 -91.000 TRP6 62 1.020 2.848 28.615 -2.134 -99.200 -91.000 HIS 66 0.900 -3.437 21.745 11.936 -99.200 -91.000 HIS 68 0.900 -0.672 22.837 16.219 -99.200 -91.000 PHE 73 1.000 7.751 23.612 22.947 -99.200 -91.000 TRP 84 1.040 7.291 14.582 18.738 -99.200 -91.000 TRP6 84 1.020 5.222 15.499 18.085 -99.200 -91.000 HIS 88 0.900 11.642 13.713 24.058 -99.200 -91.000 TRP 90 1.040 1.027 15.968 25.328 -99.200 -91.000 TRP6 90 1.020 0.145 13.783 25.409 -99.200 -91.000 HIS 96 0.900 10.222 25.241 29.250 -99.200 -91.000 HIS 100 0.900 8.137 36.791 27.193 -99.200 -91.000 PHE 101 1.000 6.646 28.272 23.954 -99.200 -91.000 PHE 120 1.000 -0.423 32.795 11.947 -99.200 -91.000 TYR 123 0.840 0.720 25.542 21.085 -99.200 -91.000 PHE 124 1.000 -2.205 24.453 24.911 -99.200 -91.000 TYR 125 0.840 -1.692 30.801 27.701 -99.200 -91.000 PHE 143 1.000 -9.359 27.404 12.608 -99.200 -91.000 PHE 149 1.000 -8.699 14.388 27.789 -99.200 -91.000 TYR 153 0.840 -6.216 28.626 26.436 -99.200 -91.000 TYR 160 0.840 -9.230 23.659 27.122 -99.200 -91.000 PHE 171 1.000 -7.253 39.296 18.602 -99.200 -91.000 HIS 174 0.900 -6.203 44.966 19.277 -99.200 -91.000 PHE 185 1.000 -16.144 28.394 19.275 -99.200 -91.000 HIS 188 0.900 -5.992 16.917 19.450 -99.200 -91.000 TYR 191 0.840 -7.627 11.537 19.541 -99.200 -91.000 HIS 213 0.900 -5.411 17.006 14.867 -99.200 -91.000 HIS 215 0.900 -12.120 9.140 9.593 -99.200 -91.000 PHE 219 1.000 -5.245 4.288 19.601 -99.200 -91.000 PHE 228 1.000 -17.881 8.148 20.631 -99.200 -91.000 PHE 241 1.000 -17.662 19.784 15.146 -99.200 -91.000 HIS 250 0.900 -3.167 15.952 10.549 -99.200 -91.000 HIS 270 0.900 -1.898 16.044 1.855 -99.200 -91.000 PHE 282 1.000 1.953 6.849 2.624 -99.200 -91.000 PHE 310 1.000 7.514 29.281 -2.713 -99.200 -91.000 PHE 377 1.000 12.177 24.483 -21.182 -99.200 -91.000 HIS 382 0.900 10.843 26.007 -13.818 -99.200 -91.000 TYR 384 0.840 5.937 19.429 -10.046 -99.200 -91.000 HIS 393 0.900 9.716 43.130 -3.788 -99.200 -91.000 TRP 395 1.040 3.167 44.602 -1.627 -99.200 -91.000 TRP6 395 1.020 4.341 43.442 -3.319 -99.200 -91.000 HIS 418 0.900 13.629 38.376 21.898 -99.200 -91.000 TRP 422 1.040 11.243 31.789 24.671 -99.200 -91.000 TRP6 422 1.020 10.061 30.965 26.535 -99.200 -91.000