============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 83 rings ring int. center anis. iso. TRP 3 1.040 -4.181 32.816 25.969 -99.200 -91.000 TRP6 3 1.020 -2.557 34.449 26.578 -99.200 -91.000 HIS 20 0.900 19.598 9.959 22.728 -99.200 -91.000 TYR 25 0.840 9.689 19.386 26.713 -99.200 -91.000 TYR 30 0.840 0.248 20.418 23.588 -99.200 -91.000 HIS 31 0.900 6.515 20.991 25.476 -99.200 -91.000 PHE 34 1.000 3.745 23.461 15.199 -99.200 -91.000 PHE 47 1.000 20.075 33.106 17.060 -99.200 -91.000 PHE 49 1.000 15.282 36.529 21.863 -99.200 -91.000 TYR 52 0.840 0.446 40.293 25.705 -99.200 -91.000 TYR 57 0.840 2.727 42.143 29.749 -99.200 -91.000 TYR 62 0.840 -1.059 43.343 30.828 -99.200 -91.000 PHE 67 1.000 -13.889 45.408 30.167 -99.200 -91.000 TYR 79 0.840 -17.826 57.111 26.283 -99.200 -91.000 PHE 86 1.000 -20.076 47.894 29.922 -99.200 -91.000 TYR 88 0.840 -11.191 40.315 29.141 -99.200 -91.000 PHE 92 1.000 -17.492 39.251 22.051 -99.200 -91.000 PHE 99 1.000 -16.204 48.747 16.356 -99.200 -91.000 TYR 103 0.840 -22.896 50.133 7.882 -99.200 -91.000 TYR 112 0.840 -8.068 35.641 -1.007 -99.200 -91.000 HIS 120 0.900 -24.683 46.489 15.918 -99.200 -91.000 PHE 122 1.000 -21.885 41.384 24.702 -99.200 -91.000 PHE 124 1.000 -21.395 36.187 18.076 -99.200 -91.000 TYR 134 0.840 -20.679 44.383 6.725 -99.200 -91.000 PHE 138 1.000 -14.628 42.967 -0.789 -99.200 -91.000 PHE 147 1.000 -14.195 47.939 6.637 -99.200 -91.000 TYR 148 0.840 -7.233 49.590 15.262 -99.200 -91.000 PHE 154 1.000 0.398 45.277 25.051 -99.200 -91.000 TYR 160 0.840 -16.457 41.519 27.277 -99.200 -91.000 PHE 168 1.000 -25.195 51.546 28.830 -99.200 -91.000 PHE 169 1.000 -23.250 53.900 24.706 -99.200 -91.000 TYR 175 0.840 -27.200 56.528 25.488 -99.200 -91.000 PHE 182 1.000 -25.488 52.930 19.951 -99.200 -91.000 PHE 188 1.000 -25.147 60.047 15.319 -99.200 -91.000 TYR 191 0.840 -22.580 51.844 15.909 -99.200 -91.000 PHE 195 1.000 -11.672 52.128 16.614 -99.200 -91.000 TRP 204 1.040 -4.943 59.227 29.898 -99.200 -91.000 TRP6 204 1.020 -5.437 58.259 31.986 -99.200 -91.000 HIS 206 0.900 -1.559 49.363 27.580 -99.200 -91.000 TYR 207 0.840 2.782 58.962 27.304 -99.200 -91.000 TYR 222 0.840 -1.646 42.250 37.006 -99.200 -91.000 PHE 243 1.000 18.292 42.482 16.990 -99.200 -91.000 TYR 250 0.840 17.079 51.373 30.727 -99.200 -91.000 TYR 252 0.840 6.369 47.947 31.202 -99.200 -91.000 TYR 259 0.840 8.478 38.584 37.401 -99.200 -91.000 PHE 261 1.000 17.389 37.719 31.576 -99.200 -91.000 PHE 263 1.000 13.970 32.492 37.083 -99.200 -91.000 HIS 265 0.900 18.879 29.743 37.757 -99.200 -91.000 HIS 273 0.900 20.660 37.774 38.643 -99.200 -91.000 TRP 276 1.040 17.602 43.832 32.405 -99.200 -91.000 TRP6 276 1.020 17.564 44.940 30.305 -99.200 -91.000 TYR 279 0.840 21.747 36.437 30.602 -99.200 -91.000 PHE 280 1.000 18.855 40.916 25.673 -99.200 -91.000 PHE 292 1.000 14.127 49.296 14.702 -99.200 -91.000 PHE 293 1.000 11