============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 3 1.000 -8.276 29.682 22.214 -99.200 -91.000 PHE 11 1.000 -0.179 33.987 34.931 -99.200 -91.000 TYR 12 0.840 -4.108 27.628 36.255 -99.200 -91.000 PHE 23 1.000 -4.407 12.872 17.685 -99.200 -91.000 TYR 38 0.840 -9.924 26.187 38.710 -99.200 -91.000 PHE 42 1.000 -1.320 20.710 29.941 -99.200 -91.000 HIS 72 0.900 -27.854 21.944 33.893 -99.200 -91.000 HIS 73 0.900 -28.373 21.630 37.914 -99.200 -91.000 HIS 79 0.900 -10.684 29.623 36.283 -99.200 -91.000 TYR 82 0.840 -3.547 30.294 30.999 -99.200 -91.000 PHE 101 1.000 -22.665 2.808 33.559 -99.200 -91.000 PHE 103 1.000 -22.273 6.166 44.415 -99.200 -91.000 PHE 118 1.000 -27.193 7.876 40.997 -99.200 -91.000 TYR 128 0.840 -27.381 24.793 29.972 -99.200 -91.000 HIS 130 0.900 -30.236 17.192 22.969 -99.200 -91.000 HIS 136 0.900 -21.161 14.881 25.361 -99.200 -91.000 PHE 137 1.000 -23.523 15.043 17.089 -99.200 -91.000 HIS 155 0.900 -24.908 16.814 44.168 -99.200 -91.000 PHE 161 1.000 -19.825 19.440 26.736 -99.200 -91.000 HIS 165 0.900 -21.159 20.594 14.263 -99.200 -91.000 PHE 173 1.000 -21.628 17.411 12.156 -99.200 -91.000 PHE 177 1.000 -19.684 12.173 15.284 -99.200 -91.000 PHE 182 1.000 -21.291 3.310 24.959 -99.200 -91.000 TYR 190 0.840 -21.009 10.671 4.974 -99.200 -91.000 TRP 200 1.040 -28.352 4.535 19.293 -99.200 -91.000 TRP6 200 1.020 -29.783 3.148 18.036 -99.200 -91.000 TYR 207 0.840 -29.706 -3.562 26.651 -99.200 -91.000 PHE 216 1.000 -28.259 -1.469 19.424 -99.200 -91.000 TYR 233 0.840 -33.463 -3.243 21.393 -99.200 -91.000 PHE 235 1.000 -35.519 -4.436 26.375 -99.200 -91.000 PHE 239 1.000 -26.878 -10.681 30.370 -99.200 -91.000 PHE 240 1.000 -32.206 -5.788 29.874 -99.200 -91.000 HIS 242 0.900 -33.751 -9.585 39.331 -99.200 -91.000 PHE 250 1.000 -35.884 6.455 29.378 -99.200 -91.000 HIS 271 0.900 -41.234 6.191 29.299 -99.200 -91.000 TRP 273 1.040 -38.014 3.412 34.476 -99.200 -91.000 TRP6 273 1.020 -35.767 3.786 33.880 -99.200 -91.000 PHE 295 1.000 -23.277 -1.310 36.751 -99.200 -91.000 TYR 299 0.840 -16.892 -1.701 37.838 -99.200 -91.000