============================================================================= 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 -43.570 -15.830 33.885 -99.200 -91.000 TYR 31 0.840 -28.747 -16.237 38.274 -99.200 -91.000 TYR 36 0.840 -31.884 -20.008 33.215 -99.200 -91.000 TYR 37 0.840 -33.727 -18.775 25.305 -99.200 -91.000 PHE 38 1.000 -38.498 -16.467 31.712 -99.200 -91.000 TRP 40 1.040 -45.372 -13.201 28.885 -99.200 -91.000 TRP6 40 1.020 -43.028 -12.896 29.004 -99.200 -91.000 TYR 42 0.840 -52.280 -14.407 19.939 -99.200 -91.000 PHE 57 1.000 -40.121 -10.633 18.847 -99.200 -91.000 PHE 66 1.000 -26.276 -8.137 16.021 -99.200 -91.000 TYR 89 0.840 -11.167 3.809 4.814 -99.200 -91.000 TRP 90 1.040 -18.339 8.552 -0.782 -99.200 -91.000 TRP6 90 1.020 -20.458 8.929 0.207 -99.200 -91.000 TRP 98 1.040 -18.226 15.810 4.443 -99.200 -91.000 TRP6 98 1.020 -19.042 14.156 5.924 -99.200 -91.000 HIS 105 0.900 -14.572 13.375 14.876 -99.200 -91.000 TYR 109 0.840 -24.726 7.588 17.634 -99.200 -91.000 PHE 131 1.000 -27.850 13.528 4.128 -99.200 -91.000 TYR 132 0.840 -23.934 11.092 4.325 -99.200 -91.000 TRP 135 1.040 -24.586 17.599 7.776 -99.200 -91.000 TRP6 135 1.020 -22.416 17.301 8.659 -99.200 -91.000 TRP 139 1.040 -23.452 22.130 17.342 -99.200 -91.000 TRP6 139 1.020 -24.924 20.297 17.107 -99.200 -91.000 TYR 147 0.840 -29.486 6.961 18.316 -99.200 -91.000 PHE 155 1.000 -17.663 2.735 12.165 -99.200 -91.000 PHE 167 1.000 -23.502 -3.313 7.539 -99.200 -91.000 PHE 176 1.000 -25.796 -11.190 11.397 -99.200 -91.000 HIS 183 0.900 -32.333 -20.226 13.221 -99.200 -91.000 TRP 185 1.040 -32.618 -14.515 9.183 -99.200 -91.000 TRP6 185 1.020 -31.288 -16.157 8.126 -99.200 -91.000 TYR 196 0.840 -40.086 -9.842 9.255 -99.200 -91.000 TRP 198 1.040 -47.368 -9.599 9.602 -99.200 -91.000 TRP6 198 1.020 -46.910 -8.092 7.832 -99.200 -91.000 TYR 200 0.840 -49.675 -6.553 15.114 -99.200 -91.000 HIS 207 0.900 -43.119 -7.617 8.347 -99.200 -91.000 TYR 218 0.840 -33.467 1.988 9.518 -99.200 -91.000 TRP 230 1.040 -25.487 -8.876 19.869 -99.200 -91.000 TRP6 230 1.020 -23.423 -8.853 18.712 -99.200 -91.000 TYR 256 0.840 -14.267 4.259 21.168 -99.200 -91.000 TRP 257 1.040 -16.876 10.543 21.459 -99.200 -91.000 TRP6 257 1.020 -15.568 12.481 21.102 -99.200 -91.000 TYR 263 0.840 -18.372 6.773 31.013 -99.200 -91.000 TRP 268 1.040 -22.502 -3.337 22.493 -99.200 -91.000 TRP6 268 1.020 -24.613 -4.224 23.106 -99.200 -91.000 TRP 273 1.040 -23.161 -3.316 38.520 -99.200 -91.000 TRP6 273 1.020 -25.524 -3.206 38.467 -99.200 -91.000 TRP 309 1.040 -27.485 -0.806 32.273 -99.200 -91.000 TRP6 309 1.020 -28.842 -2.238 33.585 -99.200 -91.000 HIS 311 0.900 -28.311 1.417 28.397 -99.200 -91.000 PHE 319 1.000 -41.276 -6.030 14.913 -99.200 -91.000 TYR 322 0.840 -32.693 -1.800 27.785 -99.200 -91.000 PHE 325 1.000 -23.436 -6.562 27.483 -99.200 -91.000 TYR 341 0.840 -42.359 -1.762 25.440 -99.200 -91.000 TRP 351 1.040 -33.595 -0.924 38.691 -99.200 -91.000 TRP6 351 1.020