============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 15.534 -13.889 33.511 -99.200 -91.000 TYR 31 0.840 30.569 -14.596 38.107 -99.200 -91.000 TYR 36 0.840 27.311 -18.232 33.127 -99.200 -91.000 TYR 37 0.840 25.488 -17.024 25.240 -99.200 -91.000 PHE 38 1.000 20.733 -14.625 31.586 -99.200 -91.000 TRP 40 1.040 13.894 -11.331 28.897 -99.200 -91.000 TRP6 40 1.020 16.250 -11.011 29.008 -99.200 -91.000 TYR 42 0.840 7.037 -12.372 19.958 -99.200 -91.000 PHE 57 1.000 19.056 -8.805 18.821 -99.200 -91.000 PHE 66 1.000 32.975 -6.434 15.995 -99.200 -91.000 TYR 89 0.840 48.230 5.164 4.940 -99.200 -91.000 TRP 90 1.040 41.385 9.627 -0.807 -99.200 -91.000 TRP6 90 1.020 39.360 10.161 0.302 -99.200 -91.000 TRP 98 1.040 41.535 17.029 4.359 -99.200 -91.000 TRP6 98 1.020 40.688 15.411 5.871 -99.200 -91.000 HIS 105 0.900 45.180 14.677 14.659 -99.200 -91.000 TYR 109 0.840 34.991 9.144 17.557 -99.200 -91.000 PHE 131 1.000 31.664 14.712 4.126 -99.200 -91.000 TYR 132 0.840 35.820 12.362 4.379 -99.200 -91.000 TRP 135 1.040 35.277 19.055 7.824 -99.200 -91.000 TRP6 135 1.020 37.487 18.628 8.570 -99.200 -91.000 TRP 139 1.040 36.548 23.328 17.101 -99.200 -91.000 TRP6 139 1.020 35.287 21.323 17.185 -99.200 -91.000 TYR 147 0.840 30.171 8.700 18.268 -99.200 -91.000 PHE 155 1.000 41.824 4.084 12.081 -99.200 -91.000 PHE 167 1.000 35.922 -1.717 7.462 -99.200 -91.000 PHE 176 1.000 33.365 -9.633 11.283 -99.200 -91.000 HIS 183 0.900 26.458 -18.460 12.818 -99.200 -91.000 TRP 185 1.040 26.535 -12.810 9.162 -99.200 -91.000 TRP6 185 1.020 27.809 -14.380 7.944 -99.200 -91.000 TYR 196 0.840 19.182 -8.059 9.332 -99.200 -91.000 TRP 198 1.040 11.841 -7.726 9.778 -99.200 -91.000 TRP6 198 1.020 12.376 -6.296 7.967 -99.200 -91.000 TYR 200 0.840 9.704 -4.488 15.135 -99.200 -91.000 HIS 207 0.900 16.171 -5.792 8.389 -99.200 -91.000 TYR 218 0.840 25.959 3.644 9.505 -99.200 -91.000 TRP 230 1.040 33.792 -7.170 19.842 -99.200 -91.000 TRP6 230 1.020 35.806 -7.220 18.595 -99.200 -91.000 TYR 256 0.840 45.242 5.618 21.094 -99.200 -91.000 TRP 257 1.040 42.834 11.966 21.424 -99.200 -91.000 TRP6 257 1.020 44.162 13.893 21.006 -99.200 -91.000 TYR 263 0.840 41.340 8.260 30.956 -99.200 -91.000 TRP 268 1.040 36.858 -1.747 22.472 -99.200 -91.000 TRP6 268 1.020 34.713 -2.556 23.089 -99.200 -91.000 TRP 273 1.040 36.006 -1.493 38.587 -99.200 -91.000 TRP6 273 1.020 33.665 -1.245 38.375 -99.200 -91.000 TRP 309 1.040 31.841 0.983 32.108 -99.200 -91.000 TRP6 309 1.020 30.426 -0.444 33.354 -99.200 -91.000 HIS 311 0.900 31.045 3.178 28.200 -99.200 -91.000 PHE 319 1.000 17.990 -4.185 14.806 -99.200 -91.000 TYR 322 0.840 26.593 0.036 27.651 -99.200 -91.000 PHE 325 1.000 35.824 -4.873 27.342 -99.200 -91.000 TYR 341 0.840 17.222 0.184 25.348 -99.200 -91.000 TRP 351 1.040 25.960 0.737 38.571 -99.200 -91.000 TRP6 351 1.020 28.201 0.896 39.246 -99.200 -91.000