============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.355 6.363 18.567 -99.200 -91.000 TRP6 14 1.020 7.059 8.205 19.306 -99.200 -91.000 PHE 19 1.000 12.568 -5.295 3.234 -99.200 -91.000 TRP 37 1.040 22.967 10.369 14.412 -99.200 -91.000 TRP6 37 1.020 24.795 8.879 14.249 -99.200 -91.000 HIS 43 0.900 19.216 -9.154 19.374 -99.200 -91.000 TYR 47 0.840 23.780 -14.433 18.857 -99.200 -91.000 TRP 49 1.040 22.148 -18.183 16.424 -99.200 -91.000 TRP6 49 1.020 20.088 -17.108 16.869 -99.200 -91.000 PHE 53 1.000 22.261 -9.338 8.503 -99.200 -91.000 HIS 65 0.900 -1.131 0.703 10.160 -99.200 -91.000 TYR 70 0.840 7.282 1.791 -2.048 -99.200 -91.000 TYR 84 0.840 29.430 5.056 14.093 -99.200 -91.000 HIS 86 0.900 28.827 -0.084 24.723 -99.200 -91.000 TYR 89 0.840 26.395 -7.498 20.916 -99.200 -91.000 TRP 91 1.040 30.005 -11.082 20.288 -99.200 -91.000 TRP6 91 1.020 31.000 -13.209 19.942 -99.200 -91.000 PHE 110 1.000 12.200 14.703 11.862 -99.200 -91.000 TYR 113 0.840 1.094 9.436 7.576 -99.200 -91.000 HIS 115 0.900 7.845 14.608 15.577 -99.200 -91.000 TYR 132 0.840 5.579 4.398 38.019 -99.200 -91.000 TRP 139 1.040 5.294 -3.756 11.127 -99.200 -91.000 TRP6 139 1.020 6.876 -1.996 11.291 -99.200 -91.000 PHE 177 1.000 13.713 -1.574 30.783 -99.200 -91.000 TYR 181 0.840 0.203 -7.210 32.182 -99.200 -91.000 PHE 200 1.000 9.137 -0.692 28.259 -99.200 -91.000 PHE 206 1.000 6.829 14.114 36.191 -99.200 -91.000 TRP 210 1.040 4.211 9.286 23.398 -99.200 -91.000 TRP6 210 1.020 3.377 7.282 24.356 -99.200 -91.000 TYR 211 0.840 11.259 12.034 27.740 -99.200 -91.000 TRP 218 1.040 18.228 -10.883 27.038 -99.200 -91.000 TRP6 218 1.020 17.719 -12.517 28.685 -99.200 -91.000 TYR 228 0.840 8.400 -11.881 34.606 -99.200 -91.000 PHE 230 1.000 15.391 -10.498 31.393 -99.200 -91.000 TYR 231 0.840 11.482 -4.905 26.884 -99.200 -91.000 HIS 233 0.900 18.383 1.550 32.584 -99.200 -91.000 PHE 235 1.000 20.284 8.300 32.493 -99.200 -91.000 TRP 240 1.040 28.764 3.695 22.560 -99.200 -91.000 TRP6 240 1.020 27.035 2.957 21.121 -99.200 -91.000 PHE 248 1.000 32.562 8.327 15.245 -99.200 -91.000