============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 22 0.900 51.406 35.347 10.978 -99.200 -91.000 PHE 24 1.000 44.963 34.102 19.446 -99.200 -91.000 PHE 29 1.000 42.184 30.305 11.591 -99.200 -91.000 PHE 46 1.000 45.228 31.984 1.804 -99.200 -91.000 TYR 59 0.840 42.752 40.374 20.453 -99.200 -91.000 TRP 71 1.040 42.903 41.092 33.822 -99.200 -91.000 TRP6 71 1.020 42.966 42.200 35.914 -99.200 -91.000 HIS 93 0.900 49.998 24.419 47.681 -99.200 -91.000 TYR 95 0.840 51.297 31.838 38.872 -99.200 -91.000 TYR 96 0.840 55.039 25.395 37.051 -99.200 -91.000 PHE 99 1.000 47.909 32.257 28.745 -99.200 -91.000 TYR 101 0.840 45.014 27.970 20.235 -99.200 -91.000 HIS 103 0.900 56.154 31.502 22.601 -99.200 -91.000 PHE 124 1.000 41.847 25.561 38.462 -99.200 -91.000 TYR 127 0.840 39.100 27.581 27.795 -99.200 -91.000 TYR 130 0.840 35.731 18.816 28.339 -99.200 -91.000 TYR 143 0.840 48.165 11.133 24.241 -99.200 -91.000 TYR 145 0.840 56.173 18.069 26.656 -99.200 -91.000 TYR 146 0.840 54.371 14.201 29.812 -99.200 -91.000 TRP 157 1.040 51.170 15.370 34.492 -99.200 -91.000 TRP6 157 1.020 50.683 17.650 34.077 -99.200 -91.000 TRP 163 1.040 36.527 25.440 36.994 -99.200 -91.000 TRP6 163 1.020 36.526 27.769 37.428 -99.200 -91.000 HIS 166 0.900 33.976 26.925 43.520 -99.200 -91.000 HIS 167 0.900 31.096 27.455 47.102 -99.200 -91.000 PHE 173 1.000 30.289 34.306 35.793 -99.200 -91.000 HIS 176 0.900 32.668 40.977 38.511 -99.200 -91.000 HIS 183 0.900 27.896 51.356 37.058 -99.200 -91.000 PHE 184 1.000 21.529 48.901 32.792 -99.200 -91.000 PHE 196 1.000 23.064 35.278 32.730 -99.200 -91.000 HIS 199 0.900 33.808 33.710 23.111 -99.200 -91.000 TYR 212 0.840 30.700 26.456 25.377 -99.200 -91.000 TYR 229 0.840 14.923 32.264 39.382 -99.200 -91.000 TYR 233 0.840 17.310 33.522 33.020 -99.200 -91.000 TRP 237 1.040 24.107 30.130 22.541 -99.200 -91.000 TRP6 237 1.020 25.278 28.775 24.078 -99.200 -91.000 TRP 246 1.040 29.496 29.023 13.737 -99.200 -91.000 TRP6 246 1.020 31.303 29.003 15.270 -99.200 -91.000 PHE 273 1.000 38.268 33.615 27.308 -99.200 -91.000 HIS 277 0.900 35.032 37.906 25.840 -99.200 -91.000 TYR 282 0.840 23.387 45.804 16.828 -99.200 -91.000 TYR 288 0.840 25.772 47.144 11.494 -99.200 -91.000 PHE 313 1.000 38.099 33.690 38.569 -99.200 -91.000 HIS 322 0.900 41.563 22.823 50.984 -99.200 -91.000 HIS 324 0.900 41.997 17.775 41.440 -99.200 -91.000 PHE 353 1.000 48.961 12.023 30.615 -99.200 -91.000 PHE 354 1.000 45.114 14.611 32.326 -99.200 -91.000