============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 5 1.000 17.289 3.098 9.697 -99.200 -91.000 TYR 6 0.840 11.896 5.864 18.791 -99.200 -91.000 PHE 12 1.000 18.261 10.855 14.507 -99.200 -91.000 PHE 17 1.000 20.402 6.058 15.544 -99.200 -91.000 TYR 28 0.840 9.465 13.660 14.727 -99.200 -91.000 HIS 33 0.900 -2.472 9.796 17.240 -99.200 -91.000 HIS 39 0.900 9.825 -5.756 23.875 -99.200 -91.000 TYR 46 0.840 8.309 0.678 7.387 -99.200 -91.000 TRP 50 1.040 -3.267 7.712 14.267 -99.200 -91.000 TRP6 50 1.020 -2.151 5.756 14.993 -99.200 -91.000 PHE 59 1.000 6.067 -0.158 17.040 -99.200 -91.000 TYR 70 0.840 8.671 -7.148 10.392 -99.200 -91.000 PHE 71 1.000 5.679 -4.565 18.018 -99.200 -91.000 TYR 72 0.840 1.988 -5.745 10.482 -99.200 -91.000 HIS 76 0.900 -2.043 -5.504 8.683 -99.200 -91.000 PHE 88 1.000 -15.804 -21.740 9.460 -99.200 -91.000 TYR 92 0.840 -19.503 -24.740 4.748 -99.200 -91.000 PHE 101 1.000 -4.654 -34.957 -2.806 -99.200 -91.000 TYR 115 0.840 -0.714 -43.911 1.690 -99.200 -91.000 PHE 120 1.000 1.214 -31.876 5.961 -99.200 -91.000 PHE 127 1.000 -6.252 -36.262 15.080 -99.200 -91.000 PHE 128 1.000 -9.344 -29.450 14.354 -99.200 -91.000 PHE 131 1.000 4.294 -26.364 6.295 -99.200 -91.000 TYR 136 0.840 9.338 -21.085 13.601 -99.200 -91.000 HIS 152 0.900 7.345 -36.657 17.662 -99.200 -91.000 PHE 164 1.000 2.086 -32.615 17.990 -99.200 -91.000 HIS 172 0.900 -0.384 -29.365 20.919 -99.200 -91.000 PHE 174 1.000 -3.912 -33.585 18.280 -99.200 -91.000 HIS 177 0.900 -10.912 -43.865 19.057 -99.200 -91.000 TYR 183 0.840 -6.046 -48.613 13.321 -99.200 -91.000 PHE 198 1.000 11.969 -34.820 10.362 -99.200 -91.000 PHE 200 1.000 2.927 -36.657 7.340 -99.200 -91.000 TYR 209 0.840 5.012 -23.768 1.757 -99.200 -91.000 PHE 215 1.000 -7.126 -29.754 -2.540 -99.200 -91.000 TYR 225 0.840 -13.723 -26.110 7.949 -99.200 -91.000 TYR 229 0.840 -16.602 -28.920 12.158 -99.200 -91.000 PHE 231 1.000 -16.285 -19.960 19.197 -99.200 -91.000 TYR 233 0.840 -20.120 -30.916 17.582 -99.200 -91.000 PHE 235 1.000 -23.202 -20.191 20.486 -99.200 -91.000 TRP 236 1.040 -25.674 -27.564 16.958 -99.200 -91.000 TRP6 236 1.020 -25.384 -29.881 17.294 -99.200 -91.000 HIS 265 0.900 -5.370 -21.339 20.717 -99.200 -91.000 TYR 274 0.840 -10.635 -20.381 20.127 -99.200 -91.000 PHE 288 1.000 -27.324 -17.290 16.555 -99.200 -91.000 PHE 297 1.000 -21.263 -28.103 13.844 -99.200 -91.000 PHE 300 1.000 -24.221 -22.801 14.996 -99.200 -91.000 HIS 307 0.900 -23.646 -12.913 10.753 -99.200 -91.000