============================================================================= 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 3 0.900 18.300 15.950 20.963 -99.200 -91.000 TYR 7 0.840 7.656 4.679 22.934 -99.200 -91.000 PHE 8 1.000 10.908 2.723 15.051 -99.200 -91.000 PHE 9 1.000 4.206 0.297 19.657 -99.200 -91.000 PHE 22 1.000 2.792 -5.616 20.569 -99.200 -91.000 TYR 27 0.840 15.205 2.341 18.333 -99.200 -91.000 PHE 33 1.000 12.880 5.130 25.735 -99.200 -91.000 PHE 36 1.000 5.283 -7.086 26.024 -99.200 -91.000 TRP 51 1.040 19.546 6.843 28.877 -99.200 -91.000 TRP6 51 1.020 17.313 7.095 28.148 -99.200 -91.000 TYR 59 0.840 9.062 4.734 32.481 -99.200 -91.000 TRP 60 1.040 10.876 0.364 34.825 -99.200 -91.000 TRP6 60 1.020 11.372 0.367 32.518 -99.200 -91.000 HIS 70 0.900 0.395 0.907 22.505 -99.200 -91.000 HIS 74 0.900 -0.425 -3.097 16.828 -99.200 -91.000 TYR 84 0.840 -11.047 -3.679 7.561 -99.200 -91.000 TYR 85 0.840 -6.226 -5.482 2.733 -99.200 -91.000 HIS 93 0.900 -1.635 -12.177 5.701 -99.200 -91.000 TYR 99 0.840 2.906 5.602 19.326 -99.200 -91.000 TRP 107 1.040 16.172 20.201 23.965 -99.200 -91.000 TRP6 107 1.020 16.657 19.262 26.074 -99.200 -91.000 PHE 109 1.000 4.670 18.820 17.757 -99.200 -91.000 TYR 113 0.840 7.493 11.063 13.809 -99.200 -91.000 HIS 114 0.900 -0.643 6.072 14.599 -99.200 -91.000 TYR 116 0.840 -1.888 -0.410 11.641 -99.200 -91.000 TYR 118 0.840 -2.512 -6.719 6.453 -99.200 -91.000 TYR 123 0.840 -4.885 -0.385 6.647 -99.200 -91.000 TRP 133 1.040 -6.872 9.786 10.582 -99.200 -91.000 TRP6 133 1.020 -5.140 8.787 11.829 -99.200 -91.000 HIS 145 0.900 -14.777 6.420 5.219 -99.200 -91.000 TRP 147 1.040 -8.534 4.399 13.584 -99.200 -91.000 TRP6 147 1.020 -6.246 4.174 13.050 -99.200 -91.000 HIS 151 0.900 -14.508 13.251 17.440 -99.200 -91.000 TYR 159 0.840 2.108 9.831 22.904 -99.200 -91.000 TRP 167 1.040 6.558 11.585 30.294 -99.200 -91.000 TRP6 167 1.020 7.561 10.452 32.105 -99.200 -91.000 TYR 171 0.840 11.846 9.028 28.449 -99.200 -91.000 HIS 188 0.900 40.483 2.971 9.445 -99.200 -91.000 HIS 191 0.900 46.300 0.455 -2.013 -99.200 -91.000 HIS 192 0.900 43.006 -4.216 2.232 -99.200 -91.000 HIS 197 0.900 45.399 -5.215 -13.937 -99.200 -91.000 TRP 204 1.040 37.301 0.994 6.906 -99.200 -91.000 TRP6 204 1.020 35.716 -0.525 7.764 -99.200 -91.000 PHE 208 1.000 28.987 6.935 12.043 -99.200 -91.000 TYR 209 0.840 23.855 8.703 19.431 -99.200 -91.000 TRP 217 1.040 35.602 6.738 -1.743 -99.200 -91.000 TRP6 217 1.020 37.873 7.195 -1.292 -99.200 -91.000 PHE 241 1.000 23.962 3.879 15.159 -99.200 -91.000 TRP 244 1.040 32.691 -0.881 4.586 -99.200 -91.000 TRP6 244 1.020 32.531 -1.419 2.286 -99.200 -91.000 TYR 257 0.840 40.068 7.608 -7.315 -99.200 -91.000 HIS 260 0.900 35.587 15.532 -0.203 -99.200 -91.000 HIS 263 0.900 28.410 12.357 13.080 -99.200 -91.000 TRP 274 1.040 47.072 5.300 -0.033 -99.200 -91.000 TRP6 274 1.020 46.456 3.911 1.772 -99.200 -91.000