============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 14 0.840 19.227 -6.127 35.662 -99.200 -91.000 TYR 15 0.840 20.407 -8.962 27.501 -99.200 -91.000 PHE 38 1.000 20.839 3.052 20.284 -99.200 -91.000 HIS 45 0.900 35.427 -7.080 21.515 -99.200 -91.000 PHE 47 1.000 35.560 -10.842 25.430 -99.200 -91.000 HIS 49 0.900 27.635 -14.382 21.547 -99.200 -91.000 TYR 51 0.840 29.822 -7.054 12.899 -99.200 -91.000 TYR 52 0.840 24.006 0.117 12.642 -99.200 -91.000 TYR 60 0.840 25.263 4.869 8.455 -99.200 -91.000 TYR 68 0.840 37.788 8.348 24.689 -99.200 -91.000 TYR 71 0.840 30.444 4.101 28.931 -99.200 -91.000 TRP 76 1.040 31.518 3.206 23.691 -99.200 -91.000 TRP6 76 1.020 30.809 4.942 22.250 -99.200 -91.000 HIS 89 0.900 9.240 -8.638 22.921 -99.200 -91.000 PHE 108 1.000 30.750 -0.586 26.098 -99.200 -91.000 PHE 109 1.000 31.219 -4.125 22.557 -99.200 -91.000 TRP 115 1.040 25.642 -6.231 27.787 -99.200 -91.000 TRP6 115 1.020 27.345 -4.700 27.210 -99.200 -91.000 TYR 123 0.840 17.607 14.474 32.255 -99.200 -91.000 PHE 136 1.000 15.624 5.337 21.675 -99.200 -91.000 PHE 137 1.000 12.321 8.287 27.432 -99.200 -91.000 HIS 145 0.900 1.061 11.930 19.275 -99.200 -91.000 PHE 150 1.000 13.902 5.995 31.820 -99.200 -91.000 HIS 169 0.900 -0.564 2.238 39.256 -99.200 -91.000 TYR 172 0.840 3.705 1.036 42.254 -99.200 -91.000 TRP 177 1.040 7.233 7.100 50.196 -99.200 -91.000 TRP6 177 1.020 6.719 8.956 51.557 -99.200 -91.000 TYR 178 0.840 6.992 10.192 42.363 -99.200 -91.000 TRP 185 1.040 24.477 16.388 36.310 -99.200 -91.000 TRP6 185 1.020 26.820 16.442 36.578 -99.200 -91.000 TYR 186 0.840 26.731 11.630 35.202 -99.200 -91.000 TYR 187 0.840 17.712 9.998 34.561 -99.200 -91.000 TYR 208 0.840 25.752 10.690 54.477 -99.200 -91.000 TYR 210 0.840 34.235 14.880 47.365 -99.200 -91.000 PHE 229 1.000 34.592 1.153 50.666 -99.200 -91.000 PHE 245 1.000 32.856 -12.316 56.720 -99.200 -91.000 PHE 249 1.000 33.210 -9.752 51.784 -99.200 -91.000 TRP 250 1.040 35.531 -6.477 55.114 -99.200 -91.000 TRP6 250 1.020 33.189 -6.455 55.394 -99.200 -91.000 TRP 258 1.040 29.320 -18.140 54.874 -99.200 -91.000 TRP6 258 1.020 29.041 -16.031 53.849 -99.200 -91.000 TRP 265 1.040 21.050 -14.886 53.094 -99.200 -91.000 TRP6 265 1.020 22.312 -13.671 51.511 -99.200 -91.000 PHE 268 1.000 27.376 -10.530 55.966 -99.200 -91.000 TYR 274 0.840 16.714 7.731 56.735 -99.200 -91.000 PHE 284 1.000 12.009 8.776 49.006 -99.200 -91.000 TYR 293 0.840 24.958 -5.350 52.384 -99.200 -91.000 TYR 308 0.840 26.480 -15.050 48.534 -99.200 -91.000 PHE 310 1.000 31.147 -4.704 51.033 -99.200 -91.000 PHE 329 1.000 14.401 -0.549 46.974 -99.200 -91.000 TYR 330 0.840 7.585 0.500 38.570 -99.200 -91.000 PHE 333 1.000 15.441 6.118 36.342 -99.200 -91.000 PHE 342 1.000 14.503 5.481 44.333 -99.200 -91.000 HIS 348 0.900 9.146 -7.726 48.324 -99.200 -91.000 HIS 350 0.900 10.106 -11.625 50.209 -99.200 -91.000 PHE 353 1.000 14.246 -14.794 60.976 -99.200 -91.000 PHE 362 1.000 11.834 7.979 58.183 -99.200 -91.000 TYR 372 0.840 31.418 18.768 47.718 -99.200 -91.000