============================================================================= 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 27.813 3.756 31.781 -99.200 -91.000 HIS 38 0.900 21.700 5.188 32.423 -99.200 -91.000 TYR 39 0.840 14.929 7.743 28.696 -99.200 -91.000 TYR 40 0.840 20.784 11.951 32.454 -99.200 -91.000 PHE 42 1.000 19.293 18.900 31.563 -99.200 -91.000 PHE 59 1.000 12.650 17.935 22.317 -99.200 -91.000 PHE 68 1.000 13.997 7.210 12.701 -99.200 -91.000 TYR 91 0.840 14.480 0.107 -8.149 -99.200 -91.000 TRP 92 1.040 10.418 8.632 -11.800 -99.200 -91.000 TRP6 92 1.020 11.224 10.631 -10.830 -99.200 -91.000 TRP 100 1.040 18.747 11.529 -14.304 -99.200 -91.000 TRP6 100 1.020 18.942 11.481 -11.957 -99.200 -91.000 TYR 111 0.840 24.035 12.615 1.493 -99.200 -91.000 PHE 133 1.000 15.447 19.331 -8.850 -99.200 -91.000 TYR 134 0.840 15.071 14.591 -8.625 -99.200 -91.000 TRP 137 1.040 21.388 17.561 -11.337 -99.200 -91.000 TRP6 137 1.020 22.166 15.347 -11.451 -99.200 -91.000 TRP 141 1.040 32.129 17.708 -9.541 -99.200 -91.000 TRP6 141 1.020 30.721 18.931 -8.112 -99.200 -91.000 TYR 149 0.840 23.454 16.608 4.371 -99.200 -91.000 PHE 157 1.000 18.225 4.709 -0.939 -99.200 -91.000 TYR 169 0.840 10.245 7.987 4.139 -99.200 -91.000 HIS 185 0.900 3.788 7.204 22.303 -99.200 -91.000 TRP 187 1.040 3.872 10.640 16.670 -99.200 -91.000 TRP6 187 1.020 2.244 8.980 16.478 -99.200 -91.000 HIS 197 0.900 2.155 13.721 24.974 -99.200 -91.000 TYR 198 0.840 5.189 19.235 16.852 -99.200 -91.000 TRP 200 1.040 4.378 25.698 20.247 -99.200 -91.000 TRP6 200 1.020 3.854 26.474 18.063 -99.200 -91.000 TYR 202 0.840 10.197 28.611 21.846 -99.200 -91.000 TYR 223 0.840 5.028 17.700 8.862 -99.200 -91.000 TRP 235 1.040 16.856 5.674 14.980 -99.200 -91.000 TRP6 235 1.020 16.196 4.031 13.458 -99.200 -91.000 TYR 261 0.840 26.954 1.705 1.524 -99.200 -91.000 TRP 262 1.040 30.225 6.735 -1.746 -99.200 -91.000 TRP6 262 1.020 31.185 6.328 -3.876 -99.200 -91.000 TYR 268 0.840 35.856 5.554 6.731 -99.200 -91.000 TRP 273 1.040 22.678 5.466 11.247 -99.200 -91.000 TRP6 273 1.020 22.371 6.855 13.138 -99.200 -91.000 TRP 278 1.040 36.444 5.053 20.055 -99.200 -91.000 TRP6 278 1.020 35.885 7.268 20.652 -99.200 -91.000 TRP 314 1.040 31.329 10.377 16.639 -99.200 -91.000 TRP6 314 1.020 31.330 10.887 18.951 -99.200 -91.000 HIS 316 0.900 29.030 12.313 13.391 -99.200 -91.000 PHE 324 1.000 11.451 21.532 17.550 -99.200 -91.000 TYR 327 0.840 26.057 14.880 17.302 -99.200 -91.000 PHE 330 1.000 25.069 4.349 16.750 -99.200 -91.000 TYR 346 0.840 22.511 23.292 20.403 -99.200 -91.000 TYR 356 0.840 35.330 13.329 21.675 -99.200 -91.000 HIS 357 0.900 33.251 17.105 28.912 -99.200 -91.000