============================================================================= 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 19.364 15.759 22.120 -99.200 -91.000 TYR 7 0.840 8.467 4.237 23.456 -99.200 -91.000 PHE 8 1.000 12.010 2.752 15.747 -99.200 -91.000 PHE 9 1.000 5.271 0.205 20.052 -99.200 -91.000 PHE 22 1.000 3.857 -5.299 20.951 -99.200 -91.000 TYR 27 0.840 16.144 2.236 18.874 -99.200 -91.000 PHE 33 1.000 13.665 4.682 26.363 -99.200 -91.000 PHE 36 1.000 6.376 -6.893 26.741 -99.200 -91.000 TRP 51 1.040 20.230 6.462 29.355 -99.200 -91.000 TRP6 51 1.020 18.089 6.949 28.493 -99.200 -91.000 TYR 59 0.840 10.158 4.573 33.459 -99.200 -91.000 TRP 60 1.040 11.786 0.196 35.898 -99.200 -91.000 TRP6 60 1.020 12.541 0.236 33.663 -99.200 -91.000 HIS 70 0.900 1.669 1.102 23.186 -99.200 -91.000 HIS 74 0.900 0.850 -3.281 16.963 -99.200 -91.000 TYR 84 0.840 -9.842 -3.325 7.870 -99.200 -91.000 TYR 85 0.840 -4.685 -5.329 3.208 -99.200 -91.000 HIS 93 0.900 -0.465 -12.020 6.051 -99.200 -91.000 TYR 99 0.840 4.149 5.471 20.021 -99.200 -91.000 TRP 107 1.040 17.319 19.898 25.216 -99.200 -91.000 TRP6 107 1.020 17.597 18.937 27.358 -99.200 -91.000 PHE 109 1.000 6.097 18.745 18.833 -99.200 -91.000 TYR 113 0.840 8.762 11.164 14.636 -99.200 -91.000 HIS 114 0.900 0.664 5.915 15.001 -99.200 -91.000 TYR 116 0.840 -0.815 -0.363 12.274 -99.200 -91.000 TYR 118 0.840 -1.569 -6.472 7.066 -99.200 -91.000 TYR 123 0.840 -3.855 -0.226 7.105 -99.200 -91.000 TRP 133 1.040 -5.709 9.817 11.314 -99.200 -91.000 TRP6 133 1.020 -3.985 8.795 12.573 -99.200 -91.000 HIS 145 0.900 -13.747 6.715 5.651 -99.200 -91.000 TRP 147 1.040 -7.442 4.777 14.539 -99.200 -91.000 TRP6 147 1.020 -5.235 4.417 13.800 -99.200 -91.000 HIS 151 0.900 -13.059 13.908 18.103 -99.200 -91.000 TYR 159 0.840 3.284 9.738 23.712 -99.200 -91.000 TRP 167 1.040 7.733 11.181 31.077 -99.200 -91.000 TRP6 167 1.020 8.803 10.030 32.842 -99.200 -91.000 TYR 171 0.840 12.885 8.733 29.180 -99.200 -91.000 HIS 188 0.900 41.639 2.843 10.188 -99.200 -91.000 HIS 191 0.900 47.534 1.171 -1.336 -99.200 -91.000 HIS 192 0.900 43.995 -3.969 2.866 -99.200 -91.000 HIS 197 0.900 46.348 -4.576 -13.320 -99.200 -91.000 TRP 204 1.040 38.569 1.234 7.673 -99.200 -91.000 TRP6 204 1.020 37.021 -0.389 8.379 -99.200 -91.000 PHE 208 1.000 30.244 6.746 12.972 -99.200 -91.000 TYR 209 0.840 25.061 8.443 20.272 -99.200 -91.000 TRP 217 1.040 37.075 6.777 -0.765 -99.200 -91.000 TRP6 217 1.020 39.340 7.311 -0.436 -99.200 -91.000 PHE 241 1.000 25.185 3.936 15.790 -99.200 -91.000 TRP 244 1.040 33.912 -0.805 5.218 -99.200 -91.000 TRP6 244 1.020 33.762 -1.269 2.927 -99.200 -91.000 TYR 257 0.840 41.167 7.980 -6.566 -99.200 -91.000 HIS 260 0.900 36.846 15.718 1.014 -99.200 -91.000 HIS 263 0.900 29.515 12.223 13.856 -99.200 -91.000 TRP 274 1.040 48.232 5.560 0.444 -99.200 -91.000 TRP6 274 1.020 47.813 4.247 2.356 -99.200 -91.000