============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TYR 3 0.840 15.083 45.304 2.459 -99.200 -91.000 HIS 6 0.900 15.975 34.312 5.292 -99.200 -91.000 TYR 21 0.840 36.959 53.026 7.238 -99.200 -91.000 TYR 34 0.840 56.063 30.109 14.514 -99.200 -91.000 TYR 36 0.840 56.912 33.406 19.206 -99.200 -91.000 PHE 40 1.000 51.840 38.607 13.764 -99.200 -91.000 TYR 44 0.840 51.656 42.462 18.402 -99.200 -91.000 HIS 65 0.900 46.500 40.164 20.760 -99.200 -91.000 TYR 94 0.840 29.502 49.978 27.794 -99.200 -91.000 PHE 98 1.000 36.496 50.822 35.627 -99.200 -91.000 TYR 100 0.840 27.276 47.727 39.073 -99.200 -91.000 TRP 101 1.040 34.393 44.231 35.727 -99.200 -91.000 TRP6 101 1.020 34.033 45.026 33.527 -99.200 -91.000 TYR 105 0.840 39.388 43.098 40.404 -99.200 -91.000 HIS 108 0.900 38.243 51.124 51.511 -99.200 -91.000 TYR 116 0.840 22.476 55.464 33.273 -99.200 -91.000 HIS 132 0.900 34.757 62.120 50.199 -99.200 -91.000 HIS 142 0.900 35.891 61.459 25.085 -99.200 -91.000 HIS 143 0.900 29.733 57.946 22.217 -99.200 -91.000 HIS 163 0.900 42.322 63.945 45.097 -99.200 -91.000 TYR 166 0.840 48.106 55.857 40.125 -99.200 -91.000 PHE 175 1.000 42.493 56.992 19.189 -99.200 -91.000 HIS 181 0.900 44.857 62.812 20.322 -99.200 -91.000 TYR 190 0.840 42.332 57.403 25.528 -99.200 -91.000 TRP 214 1.040 53.448 50.478 31.562 -99.200 -91.000 TRP6 214 1.020 52.653 48.290 31.149 -99.200 -91.000 TRP 234 1.040 49.546 40.162 26.835 -99.200 -91.000 TRP6 234 1.020 49.731 39.585 24.551 -99.200 -91.000 TRP 238 1.040 57.013 47.299 23.072 -99.200 -91.000 TRP6 238 1.020 58.879 48.066 21.819 -99.200 -91.000 PHE 244 1.000 53.564 38.251 19.546 -99.200 -91.000 PHE 246 1.000 46.639 35.749 25.321 -99.200 -91.000 TYR 263 0.840 42.725 58.155 13.201 -99.200 -91.000 TRP 272 1.040 39.679 63.131 15.142 -99.200 -91.000 TRP6 272 1.020 41.383 64.575 15.958 -99.200 -91.000 HIS 275 0.900 34.168 59.481 12.648 -99.200 -91.000 TRP 294 1.040 19.115 59.759 26.198 -99.200 -91.000 TRP6 294 1.020 17.048 59.343 27.291 -99.200 -91.000 TYR 327 0.840 11.408 52.457 5.532 -99.200 -91.000 PHE 331 1.000 17.972 53.577 12.180 -99.200 -91.000 HIS 347 0.900 25.670 59.603 13.142 -99.200 -91.000 TYR 356 0.840 26.605 55.317 4.486 -99.200 -91.000