============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 15.419 -13.637 33.620 -99.200 -91.000 TYR 31 0.840 30.382 -14.770 38.183 -99.200 -91.000 TYR 36 0.840 27.082 -18.287 33.250 -99.200 -91.000 TYR 37 0.840 25.263 -17.025 25.436 -99.200 -91.000 PHE 38 1.000 20.575 -14.543 31.701 -99.200 -91.000 TRP 40 1.040 13.797 -10.984 28.925 -99.200 -91.000 TRP6 40 1.020 16.133 -10.740 29.056 -99.200 -91.000 TYR 42 0.840 7.094 -12.313 19.997 -99.200 -91.000 PHE 57 1.000 19.112 -8.741 18.845 -99.200 -91.000 PHE 66 1.000 33.146 -6.797 16.061 -99.200 -91.000 TYR 89 0.840 48.763 4.414 5.114 -99.200 -91.000 TRP 90 1.040 42.123 9.091 -0.718 -99.200 -91.000 TRP6 90 1.020 40.057 9.583 0.315 -99.200 -91.000 TRP 98 1.040 42.189 16.564 4.437 -99.200 -91.000 TRP6 98 1.020 41.381 14.907 5.908 -99.200 -91.000 HIS 105 0.900 45.908 14.101 14.726 -99.200 -91.000 TYR 109 0.840 35.605 8.770 17.579 -99.200 -91.000 PHE 131 1.000 32.207 14.211 4.175 -99.200 -91.000 TYR 132 0.840 36.421 11.945 4.474 -99.200 -91.000 TRP 135 1.040 36.035 18.683 7.953 -99.200 -91.000 TRP6 135 1.020 38.266 18.220 8.608 -99.200 -91.000 TRP 139 1.040 37.396 23.000 17.233 -99.200 -91.000 TRP6 139 1.020 36.121 21.000 17.368 -99.200 -91.000 TYR 147 0.840 30.699 8.551 18.308 -99.200 -91.000 PHE 155 1.000 42.311 3.530 12.202 -99.200 -91.000 PHE 167 1.000 36.291 -2.181 7.550 -99.200 -91.000 PHE 176 1.000 33.477 -9.961 11.396 -99.200 -91.000 HIS 183 0.900 26.587 -18.732 13.063 -99.200 -91.000 TRP 185 1.040 26.385 -12.963 9.242 -99.200 -91.000 TRP6 185 1.020 27.594 -14.608 8.066 -99.200 -91.000 TYR 196 0.840 19.278 -8.126 9.359 -99.200 -91.000 TRP 198 1.040 11.977 -7.689 9.812 -99.200 -91.000 TRP6 198 1.020 12.498 -6.324 7.948 -99.200 -91.000 TYR 200 0.840 9.828 -4.319 15.076 -99.200 -91.000 HIS 207 0.900 16.342 -5.804 8.325 -99.200 -91.000 TYR 218 0.840 26.395 3.446 9.438 -99.200 -91.000 TRP 230 1.040 33.958 -7.513 19.926 -99.200 -91.000 TRP6 230 1.020 36.006 -7.616 18.722 -99.200 -91.000 TYR 256 0.840 45.866 5.026 21.251 -99.200 -91.000 TRP 257 1.040 43.629 11.492 21.511 -99.200 -91.000 TRP6 257 1.020 45.019 13.360 21.112 -99.200 -91.000 TYR 263 0.840 41.827 7.907 31.195 -99.200 -91.000 TRP 268 1.040 37.180 -2.096 22.625 -99.200 -91.000 TRP6 268 1.020 35.029 -2.869 23.219 -99.200 -91.000 TRP 273 1.040 35.208 -1.401 38.702 -99.200 -91.000 TRP6 273 1.020 32.953 -0.891 38.216 -99.200 -91.000 TRP 309 1.040 31.882 0.997 32.095 -99.200 -91.000 TRP6 309 1.020 30.412 -0.430 33.281 -99.200 -91.000 HIS 311 0.900 31.343 3.106 28.120 -99.200 -91.000 PHE 319 1.000 18.163 -4.151 14.812 -99.200 -91.000 TYR 322 0.840 26.787 0.049 27.560 -99.200 -91.000 PHE 325 1.000 36.080 -5.171 27.558 -99.200 -91.000 TYR 341 0.840 17.612 0.401 25.269 -99.200 -91.000 TRP 351 1.040 27.854 1.050 37.871 -99.200 -91.000 TRP6 351 1.020 26.884 0.855 40.027 -99.200 -91.000