============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 14 0.840 24.546 9.020 16.903 -99.200 -91.000 PHE 15 1.000 21.892 5.009 10.101 -99.200 -91.000 TYR 29 0.840 9.271 -0.164 16.554 -99.200 -91.000 PHE 37 1.000 17.772 1.698 13.368 -99.200 -91.000 PHE 58 1.000 9.021 17.205 36.119 -99.200 -91.000 PHE 60 1.000 10.754 12.122 34.440 -99.200 -91.000 TYR 67 0.840 17.986 5.377 30.226 -99.200 -91.000 TRP 69 1.040 13.533 -2.057 23.350 -99.200 -91.000 TRP6 69 1.020 14.726 -1.200 21.501 -99.200 -91.000 HIS 80 0.900 13.036 15.546 19.710 -99.200 -91.000 TRP 84 1.040 9.131 21.632 19.195 -99.200 -91.000 TRP6 84 1.020 8.296 19.458 18.926 -99.200 -91.000 HIS 85 0.900 6.881 25.073 17.434 -99.200 -91.000 TRP 91 1.040 1.235 21.860 32.471 -99.200 -91.000 TRP6 91 1.020 3.285 22.960 32.758 -99.200 -91.000 HIS 107 0.900 9.516 19.828 30.840 -99.200 -91.000 HIS 114 0.900 13.482 10.006 35.846 -99.200 -91.000 TYR 115 0.840 15.365 10.262 31.426 -99.200 -91.000 TRP 122 1.040 19.010 15.798 27.906 -99.200 -91.000 TRP6 122 1.020 16.731 15.215 27.738 -99.200 -91.000 PHE 129 1.000 16.831 30.652 14.306 -99.200 -91.000 TRP 149 1.040 12.906 31.370 22.962 -99.200 -91.000 TRP6 149 1.020 12.663 29.056 22.635 -99.200 -91.000 PHE 154 1.000 21.078 25.298 23.760 -99.200 -91.000 TYR 168 0.840 18.308 25.653 17.461 -99.200 -91.000 TYR 171 0.840 11.019 22.566 10.232 -99.200 -91.000 TRP 176 1.040 26.821 27.868 3.289 -99.200 -91.000 TRP6 176 1.020 27.053 28.127 5.613 -99.200 -91.000 TRP 178 1.040 16.905 26.755 1.332 -99.200 -91.000 TRP6 178 1.020 14.871 25.742 1.963 -99.200 -91.000 TYR 185 0.840 27.844 30.145 10.271 -99.200 -91.000 PHE 191 1.000 22.672 30.861 21.533 -99.200 -91.000 PHE 203 1.000 22.948 20.823 10.806 -99.200 -91.000 HIS 206 0.900 11.948 15.383 9.679 -99.200 -91.000 PHE 207 1.000 17.941 16.265 3.673 -99.200 -91.000 TYR 213 0.840 21.909 15.670 -0.134 -99.200 -91.000 PHE 217 1.000 23.019 17.717 5.991 -99.200 -91.000 PHE 224 1.000 25.309 25.626 11.545 -99.200 -91.000 TYR 246 0.840 17.358 7.357 3.534 -99.200 -91.000 TRP 265 1.040 10.984 11.383 13.757 -99.200 -91.000 TRP6 265 1.020 12.239 11.675 15.722 -99.200 -91.000 TRP 273 1.040 7.453 12.518 10.565 -99.200 -91.000 TRP6 273 1.020 7.134 14.846 10.727 -99.200 -91.000 PHE 282 1.000 15.288 -1.655 8.378 -99.200 -91.000 TYR 292 0.840 19.926 -2.220 5.911 -99.200 -91.000