============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 13 1.000 16.176 -11.893 -8.388 -99.200 -91.000 HIS 23 0.900 25.496 3.894 -15.624 -99.200 -91.000 TYR 26 0.840 23.730 -2.331 -3.444 -99.200 -91.000 PHE 27 1.000 19.439 -5.081 -10.025 -99.200 -91.000 HIS 30 0.900 9.572 -7.091 -3.921 -99.200 -91.000 TYR 38 0.840 -5.645 -11.563 -12.888 -99.200 -91.000 PHE 42 1.000 -11.111 -15.209 -6.796 -99.200 -91.000 PHE 60 1.000 16.470 -17.191 -7.318 -99.200 -91.000 TYR 62 0.840 12.044 -26.685 -3.116 -99.200 -91.000 TRP 67 1.040 4.642 -14.212 -1.693 -99.200 -91.000 TRP6 67 1.020 5.326 -12.562 -0.139 -99.200 -91.000 HIS 77 0.900 -4.631 -29.122 -7.081 -99.200 -91.000 PHE 89 1.000 9.498 -9.990 -13.278 -99.200 -91.000 PHE 90 1.000 17.830 -9.641 -12.991 -99.200 -91.000 HIS 94 0.900 10.031 5.395 -11.693 -99.200 -91.000 TYR 95 0.840 17.442 5.722 -18.851 -99.200 -91.000 TYR 105 0.840 9.711 -10.975 -19.398 -99.200 -91.000 TYR 106 0.840 18.660 -12.953 -17.890 -99.200 -91.000 TYR 124 0.840 -7.467 -27.535 -8.412 -99.200 -91.000 HIS 132 0.900 -7.019 -14.856 -15.094 -99.200 -91.000 TYR 149 0.840 -6.009 -23.521 -27.456 -99.200 -91.000 PHE 152 1.000 -9.333 -20.484 -20.670 -99.200 -91.000 PHE 160 1.000 -6.371 -14.931 -22.672 -99.200 -91.000 TRP 169 1.040 2.933 -13.206 -27.797 -99.200 -91.000 TRP6 169 1.020 1.190 -14.806 -27.825 -99.200 -91.000 PHE 185 1.000 -11.023 -23.200 -25.465 -99.200 -91.000 HIS 186 0.900 -19.152 -16.252 -24.504 -99.200 -91.000 PHE 189 1.000 -15.789 -12.317 -14.679 -99.200 -91.000 PHE 213 1.000 -10.998 -7.649 -27.457 -99.200 -91.000 TYR 216 0.840 -14.254 -13.106 -30.402 -99.200 -91.000 TYR 232 0.840 -16.677 -0.898 -22.509 -99.200 -91.000 TYR 233 0.840 -22.580 -4.432 -15.964 -99.200 -91.000 TYR 238 0.840 -18.752 2.791 -12.833 -99.200 -91.000 TYR 239 0.840 -13.190 6.906 -16.521 -99.200 -91.000 TYR 243 0.840 -8.873 7.007 -6.285 -99.200 -91.000 PHE 261 1.000 -14.823 -6.534 -12.454 -99.200 -91.000 TYR 265 0.840 -19.486 -12.104 -11.275 -99.200 -91.000 TYR 266 0.840 -16.943 -15.681 -9.246 -99.200 -91.000 PHE 269 1.000 -18.098 -5.755 -2.701 -99.200 -91.000 TYR 277 0.840 -15.099 -1.791 -2.388 -99.200 -91.000 PHE 304 1.000 -7.650 4.783 -2.030 -99.200 -91.000