============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 2 0.900 -22.032 -0.378 28.281 -99.200 -91.000 HIS 4 0.900 -22.579 -2.353 21.588 -99.200 -91.000 HIS 20 0.900 -44.075 -18.374 18.134 -99.200 -91.000 PHE 57 1.000 -42.550 -39.265 -10.704 -99.200 -91.000 TYR 58 0.840 -38.359 -39.596 -2.799 -99.200 -91.000 PHE 79 1.000 -28.503 -30.576 -2.188 -99.200 -91.000 HIS 80 0.900 -28.381 -24.032 -4.484 -99.200 -91.000 TYR 84 0.840 -32.617 -21.683 -6.491 -99.200 -91.000 PHE 93 1.000 -40.432 -29.531 -6.880 -99.200 -91.000 TYR 137 0.840 -29.801 -20.890 -0.308 -99.200 -91.000 PHE 144 1.000 -37.639 -24.412 7.683 -99.200 -91.000 TRP 147 1.040 -24.313 -25.777 10.837 -99.200 -91.000 TRP6 147 1.020 -22.993 -24.386 9.447 -99.200 -91.000 HIS 156 0.900 -10.893 -42.142 25.980 -99.200 -91.000 TYR 173 0.840 -27.449 -22.557 11.159 -99.200 -91.000 HIS 196 0.900 -24.818 -44.570 23.757 -99.200 -91.000 TYR 203 0.840 -23.174 -36.553 32.718 -99.200 -91.000 TYR 213 0.840 -30.677 -23.753 23.758 -99.200 -91.000 HIS 219 0.900 -21.071 -16.815 18.732 -99.200 -91.000 HIS 220 0.900 -24.162 -10.502 21.800 -99.200 -91.000 TYR 222 0.840 -36.171 -12.840 18.815 -99.200 -91.000 HIS 237 0.900 -29.346 -47.203 16.773 -99.200 -91.000 TYR 243 0.840 -33.143 -48.108 28.917 -99.200 -91.000 HIS 245 0.900 -42.217 -47.182 22.461 -99.200 -91.000 PHE 269 1.000 -37.932 -34.273 20.470 -99.200 -91.000 TRP 295 1.040 -39.032 -25.530 25.440 -99.200 -91.000 TRP6 295 1.020 -39.056 -27.636 26.525 -99.200 -91.000 PHE 299 1.000 -43.994 -34.209 12.012 -99.200 -91.000 TYR 301 0.840 -40.027 -37.867 13.162 -99.200 -91.000 TRP 313 1.040 -41.367 -43.473 -7.388 -99.200 -91.000 TRP6 313 1.020 -39.184 -42.576 -7.226 -99.200 -91.000 TYR 327 0.840 -45.367 -36.870 2.727 -99.200 -91.000 TYR 342 0.840 -49.419 -42.954 16.273 -99.200 -91.000 HIS 351 0.900 -38.235 -36.893 42.594 -99.200 -91.000 TYR 353 0.840 -36.411 -41.232 33.921 -99.200 -91.000