============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 1 1.000 -2.544 -1.004 40.332 -99.200 -91.000 PHE 7 1.000 -3.194 -15.805 39.471 -99.200 -91.000 HIS 8 0.900 -7.367 -15.244 33.948 -99.200 -91.000 PHE 15 1.000 -12.248 -35.077 30.654 -99.200 -91.000 TRP 20 1.040 -5.317 -39.067 25.070 -99.200 -91.000 TRP6 20 1.020 -3.246 -40.191 24.935 -99.200 -91.000 TRP 28 1.040 -3.564 -17.071 31.650 -99.200 -91.000 TRP6 28 1.020 -2.660 -16.580 29.506 -99.200 -91.000 HIS 35 0.900 1.520 -18.316 38.156 -99.200 -91.000 TRP 37 1.040 -0.700 -28.169 35.041 -99.200 -91.000 TRP6 37 1.020 -0.360 -27.903 37.364 -99.200 -91.000 PHE 46 1.000 6.135 -21.229 40.032 -99.200 -91.000 TRP 50 1.040 7.875 -10.181 37.998 -99.200 -91.000 TRP6 50 1.020 5.628 -10.547 37.306 -99.200 -91.000 PHE 55 1.000 0.678 -16.431 48.248 -99.200 -91.000 PHE 67 1.000 -4.175 -24.346 41.648 -99.200 -91.000 TYR 70 0.840 -9.544 -29.089 39.869 -99.200 -91.000 PHE 72 1.000 -1.995 -35.694 37.257 -99.200 -91.000 PHE 74 1.000 -13.154 -31.704 36.343 -99.200 -91.000 PHE 81 1.000 -19.393 -39.860 39.793 -99.200 -91.000 PHE 85 1.000 -22.940 -36.089 36.297 -99.200 -91.000 TYR 89 0.840 -15.615 -40.330 26.707 -99.200 -91.000 PHE 91 1.000 -16.532 -35.387 28.173 -99.200 -91.000 HIS 102 0.900 -13.934 -4.864 40.155 -99.200 -91.000 PHE 110 1.000 -12.463 -14.098 38.029 -99.200 -91.000 PHE 120 1.000 -21.827 -28.351 33.618 -99.200 -91.000 PHE 141 1.000 -19.573 -30.648 38.566 -99.200 -91.000 TYR 148 0.840 -18.016 -35.942 46.711 -99.200 -91.000 TYR 160 0.840 -15.344 -16.498 47.836 -99.200 -91.000 TYR 166 0.840 -0.298 -15.119 43.230 -99.200 -91.000 TRP 187 1.040 4.619 -0.572 9.166 -99.200 -91.000 TRP6 187 1.020 4.632 -1.669 11.286 -99.200 -91.000 HIS 204 0.900 0.597 -1.803 8.800 -99.200 -91.000 PHE 208 1.000 -0.028 -1.043 21.195 -99.200 -91.000 TYR 209 0.840 3.029 -3.851 29.469 -99.200 -91.000 TRP 214 1.040 -7.539 8.165 20.440 -99.200 -91.000 TRP6 214 1.020 -6.677 9.749 18.898 -99.200 -91.000 TRP 217 1.040 -5.698 6.444 8.996 -99.200 -91.000 TRP6 217 1.020 -3.853 7.235 7.726 -99.200 -91.000 TRP 238 1.040 4.466 -10.576 28.875 -99.200 -91.000 TRP6 238 1.020 4.513 -10.072 31.184 -99.200 -91.000 TRP 240 1.040 -1.362 -6.691 23.402 -99.200 -91.000 TRP6 240 1.020 -0.566 -5.988 25.445 -99.200 -91.000 TYR 241 0.840 0.144 -5.354 13.688 -99.200 -91.000 HIS 262 0.900 1.497 3.028 24.806 -99.200 -91.000 TYR 273 0.840 1.384 15.032 8.159 -99.200 -91.000 TRP 274 1.040 -0.141 7.348 1.094 -99.200 -91.000 TRP6 274 1.020 1.268 5.461 1.468 -99.200 -91.000