============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 9 1.000 -8.185 -3.410 -9.853 -99.200 -91.000 TYR 17 0.840 -13.169 -2.700 -10.707 -99.200 -91.000 PHE 20 1.000 -10.930 -5.751 -5.851 -99.200 -91.000 PHE 27 1.000 -13.637 -16.003 -2.591 -99.200 -91.000 PHE 32 1.000 -14.197 -9.723 7.221 -99.200 -91.000 HIS 37 0.900 -11.957 3.738 0.317 -99.200 -91.000 PHE 47 1.000 3.788 13.196 -9.028 -99.200 -91.000 PHE 53 1.000 1.582 2.556 -0.751 -99.200 -91.000 PHE 57 1.000 -0.188 6.651 5.464 -99.200 -91.000 TYR 62 0.840 -7.322 -1.196 9.262 -99.200 -91.000 PHE 65 1.000 -5.672 -7.079 -6.536 -99.200 -91.000 PHE 67 1.000 -3.246 -5.801 -11.529 -99.200 -91.000 TYR 68 0.840 4.985 -5.305 -8.387 -99.200 -91.000 PHE 79 1.000 6.214 6.094 -1.169 -99.200 -91.000 HIS 84 0.900 5.981 -1.010 9.624 -99.200 -91.000 PHE 87 1.000 0.741 -3.185 -4.518 -99.200 -91.000 PHE 92 1.000 7.915 -7.476 -12.183 -99.200 -91.000 HIS 98 0.900 8.980 -9.305 -2.100 -99.200 -91.000 PHE 100 1.000 4.988 -4.406 6.453 -99.200 -91.000 TYR 118 0.840 9.964 -33.782 -20.360 -99.200 -91.000 TYR 119 0.840 10.260 -30.014 -23.916 -99.200 -91.000 TRP 121 1.040 15.245 -27.704 -25.773 -99.200 -91.000 TRP6 121 1.020 14.223 -25.584 -25.944 -99.200 -91.000 PHE 124 1.000 18.473 -22.717 -23.574 -99.200 -91.000 TYR 126 0.840 15.428 -15.657 -21.249 -99.200 -91.000 TYR 128 0.840 16.472 -10.643 -22.060 -99.200 -91.000 TRP 149 1.040 21.871 -26.064 -20.303 -99.200 -91.000 TRP6 149 1.020 20.143 -25.147 -18.982 -99.200 -91.000 HIS 185 0.900 15.645 -26.555 -42.003 -99.200 -91.000 TYR 189 0.840 12.942 -21.970 -36.048 -99.200 -91.000 HIS 190 0.900 9.990 -27.756 -28.078 -99.200 -91.000 TYR 191 0.840 8.558 -20.828 -32.095 -99.200 -91.000 PHE 198 1.000 0.890 -23.627 -24.442 -99.200 -91.000 PHE 208 1.000 2.833 -20.502 -31.723 -99.200 -91.000 PHE 216 1.000 6.626 -23.159 -18.361 -99.200 -91.000 TYR 221 0.840 -9.408 -22.899 -17.621 -99.200 -91.000 PHE 229 1.000 -14.148 -17.577 -11.818 -99.200 -91.000 TRP 233 1.040 -15.232 -15.198 -16.338 -99.200 -91.000 TRP6 233 1.020 -14.746 -13.254 -15.084 -99.200 -91.000 TYR 241 0.840 -20.076 -8.677 -12.753 -99.200 -91.000 HIS 245 0.900 -21.475 -14.362 -22.269 -99.200 -91.000 TYR 251 0.840 -0.623 -15.110 -15.726 -99.200 -91.000 TYR 257 0.840 -12.928 -15.889 -7.585 -99.200 -91.000 PHE 267 1.000 -8.192 -7.280 6.208 -99.200 -91.000 TRP 294 1.040 -1.214 0.936 11.391 -99.200 -91.000 TRP6 294 1.020 -1.900 -0.206 9.442 -99.200 -91.000 PHE 318 1.000 0.592 -15.864 -0.284 -99.200 -91.000 TYR 327 0.840 4.906 -22.398 -7.035 -99.200 -91.000 TYR 344 0.840 2.788 -33.020 -10.828 -99.200 -91.000 TRP 345 1.040 9.242 -27.467 -11.419 -99.200 -91.000 TRP6 345 1.020 9.117 -25.833 -9.716 -99.200 -91.000