============================================================================= 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 -12.504 0.187 28.777 -99.200 -91.000 HIS 4 0.900 -11.317 -0.391 35.937 -99.200 -91.000 HIS 20 0.900 13.031 -11.915 39.377 -99.200 -91.000 PHE 57 1.000 15.503 -31.617 69.014 -99.200 -91.000 TYR 58 0.840 11.787 -33.208 61.085 -99.200 -91.000 PHE 79 1.000 0.123 -26.409 60.140 -99.200 -91.000 HIS 80 0.900 -1.291 -20.012 62.152 -99.200 -91.000 TYR 84 0.840 2.299 -16.719 64.156 -99.200 -91.000 PHE 93 1.000 11.491 -22.855 65.043 -99.200 -91.000 TYR 137 0.840 -0.549 -16.748 57.920 -99.200 -91.000 PHE 144 1.000 8.011 -18.861 50.075 -99.200 -91.000 TRP 147 1.040 -4.795 -23.094 47.013 -99.200 -91.000 TRP6 147 1.020 -6.356 -21.935 48.367 -99.200 -91.000 HIS 156 0.900 -14.446 -42.429 32.659 -99.200 -91.000 TYR 173 0.840 -2.362 -19.325 46.589 -99.200 -91.000 HIS 196 0.900 -0.289 -41.717 34.700 -99.200 -91.000 TYR 203 0.840 -3.535 -34.517 25.470 -99.200 -91.000 TYR 213 0.840 1.093 -20.166 33.990 -99.200 -91.000 HIS 219 0.900 -9.798 -15.266 38.829 -99.200 -91.000 HIS 220 0.900 -8.241 -8.515 35.792 -99.200 -91.000 TYR 222 0.840 4.122 -8.162 38.545 -99.200 -91.000 HIS 237 0.900 4.620 -43.234 41.941 -99.200 -91.000 TYR 243 0.840 8.616 -43.707 29.683 -99.200 -91.000 HIS 245 0.900 17.123 -40.625 36.268 -99.200 -91.000 PHE 269 1.000 10.350 -28.904 37.628 -99.200 -91.000 TRP 295 1.040 9.612 -20.251 32.297 -99.200 -91.000 TRP6 295 1.020 10.062 -22.336 31.270 -99.200 -91.000 PHE 299 1.000 16.248 -27.194 46.001 -99.200 -91.000 TYR 301 0.840 13.062 -31.619 45.071 -99.200 -91.000 TRP 313 1.040 15.152 -36.127 65.780 -99.200 -91.000 TRP6 313 1.020 12.838 -35.710 65.520 -99.200 -91.000 TYR 327 0.840 17.957 -29.223 55.416 -99.200 -91.000 TYR 342 0.840 23.409 -34.963 42.783 -99.200 -91.000 HIS 348 0.900 11.293 -32.027 15.673 -99.200 -91.000 TYR 350 0.840 10.334 -36.449 24.498 -99.200 -91.000