============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TYR 33 0.840 27.751 3.793 31.815 -99.200 -91.000 HIS 38 0.900 21.620 5.222 32.462 -99.200 -91.000 TYR 39 0.840 14.867 7.841 28.706 -99.200 -91.000 TYR 40 0.840 20.739 12.011 32.522 -99.200 -91.000 PHE 42 1.000 19.215 18.976 31.609 -99.200 -91.000 PHE 59 1.000 12.616 18.054 22.374 -99.200 -91.000 PHE 68 1.000 13.998 7.285 12.713 -99.200 -91.000 TYR 91 0.840 14.550 0.181 -8.113 -99.200 -91.000 TRP 92 1.040 10.369 8.651 -11.855 -99.200 -91.000 TRP6 92 1.020 11.224 10.634 -10.912 -99.200 -91.000 TRP 100 1.040 18.717 11.527 -14.304 -99.200 -91.000 TRP6 100 1.020 18.896 11.506 -11.955 -99.200 -91.000 TYR 111 0.840 23.967 12.662 1.523 -99.200 -91.000 PHE 133 1.000 15.334 19.377 -8.811 -99.200 -91.000 TYR 134 0.840 15.017 14.633 -8.649 -99.200 -91.000 TRP 137 1.040 21.352 17.562 -11.360 -99.200 -91.000 TRP6 137 1.020 22.152 15.347 -11.483 -99.200 -91.000 TRP 141 1.040 32.066 17.824 -9.493 -99.200 -91.000 TRP6 141 1.020 30.656 19.019 -8.041 -99.200 -91.000 TYR 149 0.840 23.319 16.571 4.425 -99.200 -91.000 PHE 157 1.000 18.131 4.830 -0.915 -99.200 -91.000 TYR 169 0.840 10.116 7.998 4.084 -99.200 -91.000 HIS 185 0.900 3.949 7.069 22.275 -99.200 -91.000 TRP 187 1.040 3.847 10.832 16.660 -99.200 -91.000 TRP6 187 1.020 2.245 9.133 16.504 -99.200 -91.000 HIS 197 0.900 2.346 13.956 25.253 -99.200 -91.000 TYR 198 0.840 5.110 19.350 16.932 -99.200 -91.000 TRP 200 1.040 4.346 25.880 20.304 -99.200 -91.000 TRP6 200 1.020 3.756 26.570 18.133 -99.200 -91.000 TYR 202 0.840 10.166 28.703 21.902 -99.200 -91.000 TYR 223 0.840 4.939 17.819 8.920 -99.200 -91.000 TRP 235 1.040 16.841 5.757 15.021 -99.200 -91.000 TRP6 235 1.020 16.166 4.119 13.489 -99.200 -91.000 TYR 261 0.840 26.939 1.703 1.579 -99.200 -91.000 TRP 262 1.040 30.177 6.784 -1.682 -99.200 -91.000 TRP6 262 1.020 31.092 6.408 -3.828 -99.200 -91.000 TYR 268 0.840 35.810 5.599 6.747 -99.200 -91.000 TRP 273 1.040 22.616 5.516 11.269 -99.200 -91.000 TRP6 273 1.020 22.310 6.878 13.162 -99.200 -91.000 TRP 278 1.040 36.451 5.058 20.098 -99.200 -91.000 TRP6 278 1.020 35.844 7.302 20.626 -99.200 -91.000 TRP 314 1.040 31.271 10.377 16.748 -99.200 -91.000 TRP6 314 1.020 31.295 10.866 19.049 -99.200 -91.000 HIS 316 0.900 28.954 12.367 13.461 -99.200 -91.000 PHE 324 1.000 11.412 21.657 17.590 -99.200 -91.000 TYR 327 0.840 26.055 14.915 17.387 -99.200 -91.000 PHE 330 1.000 25.014 4.353 16.786 -99.200 -91.000 TYR 346 0.840 22.520 23.324 20.511 -99.200 -91.000 TYR 356 0.840 35.327 13.371 21.768 -99.200 -91.000 HIS 357 0.900 33.269 17.132 29.000 -99.200 -91.000