============================================================================= 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 -22.147 -0.372 28.697 -99.200 -91.000 HIS 4 0.900 -22.958 -2.259 21.993 -99.200 -91.000 HIS 20 0.900 -44.615 -18.365 18.415 -99.200 -91.000 PHE 57 1.000 -43.166 -39.284 -10.754 -99.200 -91.000 TYR 58 0.840 -38.942 -39.823 -2.880 -99.200 -91.000 PHE 79 1.000 -28.933 -30.620 -2.314 -99.200 -91.000 HIS 80 0.900 -28.804 -24.138 -4.416 -99.200 -91.000 TYR 84 0.840 -33.032 -21.765 -6.583 -99.200 -91.000 PHE 93 1.000 -41.017 -29.574 -6.903 -99.200 -91.000 TYR 137 0.840 -30.229 -20.883 -0.274 -99.200 -91.000 PHE 144 1.000 -37.999 -24.422 7.922 -99.200 -91.000 TRP 147 1.040 -24.580 -25.837 11.050 -99.200 -91.000 TRP6 147 1.020 -23.264 -24.366 9.744 -99.200 -91.000 HIS 156 0.900 -11.180 -42.267 26.527 -99.200 -91.000 TYR 173 0.840 -27.736 -22.557 11.420 -99.200 -91.000 HIS 196 0.900 -25.112 -44.887 24.056 -99.200 -91.000 TYR 203 0.840 -23.331 -36.818 32.964 -99.200 -91.000 TYR 213 0.840 -31.038 -23.813 24.054 -99.200 -91.000 HIS 219 0.900 -21.374 -16.727 19.055 -99.200 -91.000 HIS 220 0.900 -24.513 -10.447 22.138 -99.200 -91.000 TYR 222 0.840 -36.487 -12.779 19.185 -99.200 -91.000 HIS 237 0.900 -29.676 -47.480 17.104 -99.200 -91.000 TYR 243 0.840 -33.469 -48.547 29.294 -99.200 -91.000 HIS 245 0.900 -42.617 -47.464 22.861 -99.200 -91.000 PHE 269 1.000 -38.372 -34.485 20.778 -99.200 -91.000 TRP 295 1.040 -39.428 -25.700 25.863 -99.200 -91.000 TRP6 295 1.020 -39.493 -27.827 26.892 -99.200 -91.000 PHE 299 1.000 -44.505 -34.380 12.312 -99.200 -91.000 TYR 301 0.840 -40.416 -38.191 13.326 -99.200 -91.000 TRP 313 1.040 -42.095 -43.713 -7.497 -99.200 -91.000 TRP6 313 1.020 -39.898 -42.840 -7.425 -99.200 -91.000 TYR 327 0.840 -45.985 -37.072 2.860 -99.200 -91.000 TYR 342 0.840 -49.845 -43.370 16.872 -99.200 -91.000 HIS 350 0.900 -38.544 -37.132 43.133 -99.200 -91.000 TYR 352 0.840 -36.747 -41.358 34.363 -99.200 -91.000