============================================================================= 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. HIS 2 0.900 13.878 -30.367 -7.638 -99.200 -91.000 TYR 6 0.840 7.380 -17.828 -13.109 -99.200 -91.000 HIS 33 0.900 -9.857 -10.617 -0.608 -99.200 -91.000 TYR 45 0.840 1.783 -16.232 -1.072 -99.200 -91.000 TRP 54 1.040 6.113 -5.649 -13.713 -99.200 -91.000 TRP6 54 1.020 7.474 -3.791 -14.266 -99.200 -91.000 TYR 55 0.840 1.321 1.380 -13.007 -99.200 -91.000 TRP 70 1.040 -1.177 22.301 -29.674 -99.200 -91.000 TRP6 70 1.020 -0.998 23.396 -27.584 -99.200 -91.000 TRP 92 1.040 1.493 -1.269 -22.950 -99.200 -91.000 TRP6 92 1.020 1.002 -3.427 -22.099 -99.200 -91.000 HIS 93 0.900 7.164 0.172 -22.402 -99.200 -91.000 PHE 94 1.000 8.793 6.648 -20.768 -99.200 -91.000 TYR 107 0.840 4.767 21.344 -18.930 -99.200 -91.000 HIS 128 0.900 1.585 23.010 -1.499 -99.200 -91.000 TYR 129 0.840 1.880 23.272 -9.897 -99.200 -91.000 PHE 141 1.000 -4.669 22.845 -13.079 -99.200 -91.000 TYR 163 0.840 -0.699 -2.788 -4.456 -99.200 -91.000 HIS 177 0.900 -6.848 -14.743 -1.192 -99.200 -91.000 TYR 185 0.840 -5.549 12.439 -7.052 -99.200 -91.000 PHE 199 1.000 -3.427 -2.819 -14.943 -99.200 -91.000 PHE 213 1.000 7.835 -7.865 -8.909 -99.200 -91.000 HIS 216 0.900 10.607 -14.330 -1.589 -99.200 -91.000 PHE 220 1.000 5.359 -7.316 9.180 -99.200 -91.000 PHE 242 1.000 -0.400 -6.936 11.112 -99.200 -91.000 PHE 245 1.000 2.257 -11.820 10.326 -99.200 -91.000 TRP 259 1.040 -4.572 -7.073 21.787 -99.200 -91.000 TRP6 259 1.020 -3.724 -6.663 23.944 -99.200 -91.000 PHE 261 1.000 -3.814 -3.016 20.335 -99.200 -91.000 PHE 262 1.000 -8.967 -1.952 10.617 -99.200 -91.000 HIS 266 0.900 -17.366 7.284 9.373 -99.200 -91.000 PHE 267 1.000 -18.129 -1.907 13.812 -99.200 -91.000 PHE 271 1.000 -14.142 -4.628 12.189 -99.200 -91.000 TYR 273 0.840 -9.665 -8.515 4.139 -99.200 -91.000 TRP 277 1.040 -10.270 -8.823 10.854 -99.200 -91.000 TRP6 277 1.020 -8.188 -9.932 10.902 -99.200 -91.000 TYR 280 0.840 -9.098 -15.698 11.288 -99.200 -91.000 TRP 293 1.040 -14.300 1.628 15.004 -99.200 -91.000 TRP6 293 1.020 -13.599 0.578 13.004 -99.200 -91.000 TYR 302 0.840 -6.400 9.097 14.511 -99.200 -91.000 TRP 315 1.040 5.080 -5.112 31.568 -99.200 -91.000 TRP6 315 1.020 7.085 -4.750 30.381 -99.200 -91.000 TRP 317 1.040 -1.277 -10.358 25.813 -99.200 -91.000 TRP6 317 1.020 -1.916 -11.249 23.727 -99.200 -91.000 HIS 323 0.900 8.276 -12.831 17.920 -99.200 -91.000 TYR 325 0.840 4.935 -9.693 13.969 -99.200 -91.000 PHE 348 1.000 0.762 0.224 32.199 -99.200 -91.000 PHE 359 1.000 11.455 -4.276 26.951 -99.200 -91.000 TYR 369 0.840 8.632 -1.905 17.200 -99.200 -91.000 TYR 374 0.840 2.052 0.415 3.131 -99.200 -91.000