============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. TYR 3 0.840 51.971 5.833 22.271 -99.200 -91.000 TRP 5 1.040 45.963 1.896 20.667 -99.200 -91.000 TRP6 5 1.020 44.616 3.787 20.236 -99.200 -91.000 TRP 11 1.040 32.563 -3.603 7.996 -99.200 -91.000 TRP6 11 1.020 30.310 -4.012 7.373 -99.200 -91.000 TYR 18 0.840 39.451 -7.234 7.572 -99.200 -91.000 PHE 21 1.000 39.082 -2.377 11.089 -99.200 -91.000 PHE 24 1.000 40.677 4.335 10.643 -99.200 -91.000 PHE 41 1.000 44.106 -8.854 15.437 -99.200 -91.000 PHE 50 1.000 26.159 -10.470 18.434 -99.200 -91.000 PHE 53 1.000 30.599 -2.854 26.567 -99.200 -91.000 PHE 67 1.000 27.551 -3.261 11.761 -99.200 -91.000 TYR 70 0.840 26.225 -5.909 16.497 -99.200 -91.000 TRP 71 1.040 28.613 -2.284 22.258 -99.200 -91.000 TRP6 71 1.020 29.191 -4.530 21.799 -99.200 -91.000 PHE 80 1.000 16.800 5.822 22.502 -99.200 -91.000 TYR 84 0.840 15.506 5.939 17.369 -99.200 -91.000 TRP 94 1.040 20.774 8.947 12.628 -99.200 -91.000 TRP6 94 1.020 20.720 8.317 14.916 -99.200 -91.000 TRP 97 1.040 21.154 13.720 18.453 -99.200 -91.000 TRP6 97 1.020 22.349 11.880 19.364 -99.200 -91.000 PHE 98 1.000 26.453 10.076 17.120 -99.200 -91.000 TYR 99 0.840 30.679 14.437 14.778 -99.200 -91.000 PHE 111 1.000 30.035 3.368 24.225 -99.200 -91.000 PHE 117 1.000 37.721 9.205 23.724 -99.200 -91.000 TYR 118 0.840 30.646 6.766 20.214 -99.200 -91.000 HIS 124 0.900 26.766 -0.174 7.378 -99.200 -91.000 HIS 130 0.900 19.499 -10.378 1.595 -99.200 -91.000 PHE 138 1.000 2.196 -4.692 11.217 -99.200 -91.000 PHE 141 1.000 7.986 -8.118 8.462 -99.200 -91.000 PHE 157 1.000 11.789 -6.091 11.911 -99.200 -91.000 TYR 173 0.840 25.173 -19.502 2.648 -99.200 -91.000 PHE 186 1.000 25.561 -8.418 8.829 -99.200 -91.000 TYR 193 0.840 26.388 -11.052 -4.976 -99.200 -91.000 PHE 197 1.000 23.308 -12.751 4.584 -99.200 -91.000 HIS 198 0.900 24.327 -13.945 -3.716 -99.200 -91.000 TYR 203 0.840 10.576 -14.582 -2.588 -99.200 -91.000 HIS 215 0.900 15.204 -3.138 9.261 -99.200 -91.000 PHE 223 1.000 37.511 2.671 13.998 -99.200 -91.000 TRP 230 1.040 41.272 8.590 24.389 -99.200 -91.000 TRP6 230 1.020 41.366 8.674 22.021 -99.200 -91.000 PHE 241 1.000 41.936 6.080 16.338 -99.200 -91.000 HIS 246 0.900 33.608 13.915 11.853 -99.200 -91.000 TYR 248 0.840 37.001 3.734 8.178 -99.200 -91.000 TRP 250 1.040 31.057 11.651 6.672 -99.200 -91.000 TRP6 250 1.020 28.799 11.360 6.029 -99.200 -91.000 HIS 252 0.900 32.368 1.819 6.731 -99.200 -91.000 TYR 253 0.840 26.956 7.050 3.153 -99.200 -91.000 TRP 264 1.040 20.695 -2.189 -5.195 -99.200 -91.000 TRP6 264 1.020 19.292 -3.501 -3.817 -99.200 -91.000 TYR 267 0.840 21.534 -8.845 -3.625 -99.200 -91.000 PHE 285 1.000 6.838 -3.219 10.413 -99.200 -91.000 TRP 293 1.040 10.804 5.461 18.097 -99.200 -91.000 TRP6 293 1.020 10.088 7.445 17.017 -99.200 -91.000 PHE 294 1.000 7.841 9.008 23.588 -99.200 -91.000 TRP 296 1.040 14.068 -0.356 23.956 -99.200 -91.000 TRP6 296 1.020 16.161 -1.374 24.400 -99.200 -91.000 TYR 302 0.840 25.114 8.447 30.737 -99.200 -91.000 PHE 307 1.000 12.610 9.556 22.124 -99.200 -91.000 TYR 313 0.840 17.966 16.961 13.641 -99.200 -91.000 TYR 319 0.840 12.396 12.820 9.381 -99.200 -91.000