============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TYR 17 0.840 12.108 21.830 12.971 -99.200 -91.000 PHE 34 1.000 17.504 30.450 10.271 -99.200 -91.000 TRP 42 1.040 12.328 39.225 17.780 -99.200 -91.000 TRP6 42 1.020 12.660 38.351 19.922 -99.200 -91.000 PHE 44 1.000 15.556 36.637 24.887 -99.200 -91.000 TYR 59 0.840 24.232 42.161 18.666 -99.200 -91.000 TRP 75 1.040 12.857 46.233 17.327 -99.200 -91.000 TRP6 75 1.020 11.938 44.199 18.014 -99.200 -91.000 TYR 79 0.840 6.617 37.306 16.684 -99.200 -91.000 TYR 89 0.840 22.796 48.563 18.630 -99.200 -91.000 PHE 115 1.000 9.078 35.993 22.033 -99.200 -91.000 PHE 129 1.000 7.651 37.650 -0.022 -99.200 -91.000 PHE 142 1.000 21.373 36.069 6.095 -99.200 -91.000 PHE 143 1.000 15.879 34.786 -0.207 -99.200 -91.000 PHE 155 1.000 14.163 31.099 2.253 -99.200 -91.000 TYR 161 0.840 8.333 12.292 12.931 -99.200 -91.000 HIS 162 0.900 9.573 13.372 16.581 -99.200 -91.000 TYR 167 0.840 15.530 26.855 7.682 -99.200 -91.000 PHE 169 1.000 19.341 31.284 3.830 -99.200 -91.000 PHE 171 1.000 23.260 24.803 -1.941 -99.200 -91.000 TYR 177 0.840 14.654 17.725 -5.041 -99.200 -91.000 TYR 183 0.840 10.011 25.529 -8.505 -99.200 -91.000 PHE 192 1.000 1.361 36.516 6.635 -99.200 -91.000 TRP 193 1.040 7.814 33.258 1.972 -99.200 -91.000 TRP6 193 1.020 8.735 33.091 -0.166 -99.200 -91.000 TRP 195 1.040 0.921 27.430 -0.271 -99.200 -91.000 TRP6 195 1.020 0.170 25.387 -1.114 -99.200 -91.000 TYR 200 0.840 -9.738 17.628 1.963 -99.200 -91.000 PHE 207 1.000 -6.401 16.458 -4.572 -99.200 -91.000 TYR 224 0.840 -2.847 26.038 13.840 -99.200 -91.000 TYR 233 0.840 -6.214 13.214 9.999 -99.200 -91.000 TRP 234 1.040 -8.443 15.793 13.678 -99.200 -91.000 TRP6 234 1.020 -6.783 14.331 14.427 -99.200 -91.000 TYR 249 0.840 -11.051 18.067 15.606 -99.200 -91.000 PHE 251 1.000 -3.959 11.169 18.167 -99.200 -91.000 PHE 260 1.000 -4.754 16.937 4.942 -99.200 -91.000 PHE 262 1.000 0.866 19.797 1.399 -99.200 -91.000 TYR 275 0.840 6.468 13.186 8.968 -99.200 -91.000 PHE 278 1.000 3.380 18.744 18.218 -99.200 -91.000 PHE 287 1.000 -3.247 19.915 20.522 -99.200 -91.000 PHE 301 1.000 -1.023 24.526 3.340 -99.200 -91.000 PHE 310 1.000 14.975 20.629 -1.227 -99.200 -91.000 PHE 313 1.000 10.161 28.924 2.023 -99.200 -91.000 PHE 323 1.000 4.986 23.180 -0.959 -99.200 -91.000