============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TRP 11 1.040 8.297 -2.601 47.784 -99.200 -91.000 TRP6 11 1.020 9.553 -4.560 47.475 -99.200 -91.000 HIS 12 0.900 5.357 -1.230 57.129 -99.200 -91.000 HIS 14 0.900 1.562 -4.644 60.210 -99.200 -91.000 TYR 27 0.840 -10.395 -6.595 50.108 -99.200 -91.000 TYR 32 0.840 -0.343 -3.606 46.136 -99.200 -91.000 TYR 54 0.840 1.992 -14.730 58.811 -99.200 -91.000 HIS 66 0.900 -6.069 -12.706 43.539 -99.200 -91.000 PHE 68 1.000 0.933 -11.564 48.031 -99.200 -91.000 TYR 75 0.840 8.363 -8.085 66.769 -99.200 -91.000 PHE 89 1.000 19.522 -12.627 53.216 -99.200 -91.000 HIS 90 0.900 23.290 -17.553 53.984 -99.200 -91.000 PHE 94 1.000 13.077 -15.139 58.968 -99.200 -91.000 TYR 99 0.840 7.345 -3.994 64.742 -99.200 -91.000 HIS 109 0.900 5.978 -11.748 72.954 -99.200 -91.000 HIS 134 0.900 6.650 2.073 64.303 -99.200 -91.000 HIS 139 0.900 12.738 6.848 75.221 -99.200 -91.000 PHE 145 1.000 0.560 14.951 67.479 -99.200 -91.000 PHE 151 1.000 14.379 5.067 65.580 -99.200 -91.000 PHE 170 1.000 12.894 7.145 59.515 -99.200 -91.000 HIS 172 0.900 5.730 3.077 59.915 -99.200 -91.000 TYR 181 0.840 18.606 10.377 58.791 -99.200 -91.000 TYR 188 0.840 25.355 0.950 51.630 -99.200 -91.000 HIS 197 0.900 1.428 8.278 58.052 -99.200 -91.000 PHE 200 1.000 -7.312 11.663 54.701 -99.200 -91.000 HIS 213 0.900 -12.745 3.093 61.350 -99.200 -91.000 TYR 215 0.840 -4.446 6.087 67.406 -99.200 -91.000 HIS 225 0.900 6.295 17.662 60.435 -99.200 -91.000 PHE 237 1.000 14.711 10.095 47.916 -99.200 -91.000 PHE 241 1.000 11.249 1.229 48.799 -99.200 -91.000 HIS 249 0.900 -5.737 -3.072 64.729 -99.200 -91.000 HIS 252 0.900 -17.752 -5.652 67.412 -99.200 -91.000 PHE 264 1.000 -8.619 -4.015 55.109 -99.200 -91.000 TYR 273 0.840 0.517 4.837 48.031 -99.200 -91.000 PHE 277 1.000 3.297 9.522 43.192 -99.200 -91.000 HIS 285 0.900 8.995 11.944 38.735 -99.200 -91.000 PHE 286 1.000 0.573 5.516 40.497 -99.200 -91.000 PHE 289 1.000 5.283 5.824 46.421 -99.200 -91.000 PHE 297 1.000 17.189 0.337 50.083 -99.200 -91.000 TYR 298 0.840 13.155 -4.601 50.315 -99.200 -91.000 TRP 306 1.040 2.397 -4.873 31.459 -99.200 -91.000 TRP6 306 1.020 4.005 -3.165 31.469 -99.200 -91.000 PHE 330 1.000 -6.851 5.727 53.530 -99.200 -91.000 TRP 338 1.040 -6.568 8.508 39.405 -99.200 -91.000 TRP6 338 1.020 -6.090 8.186 37.119 -99.200 -91.000