============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 13 0.840 0.091 -12.241 -30.515 -99.200 -91.000 TYR 17 0.840 2.023 -28.937 -23.121 -99.200 -91.000 PHE 38 1.000 12.164 -20.194 -44.164 -99.200 -91.000 PHE 47 1.000 6.353 -17.898 -39.297 -99.200 -91.000 PHE 52 1.000 -8.442 -20.272 -39.814 -99.200 -91.000 PHE 77 1.000 -3.326 -13.314 -33.705 -99.200 -91.000 HIS 80 0.900 -3.491 -6.232 -38.574 -99.200 -91.000 PHE 88 1.000 11.290 -7.741 -36.970 -99.200 -91.000 TYR 89 0.840 13.750 -11.217 -43.442 -99.200 -91.000 PHE 104 1.000 -9.434 -34.847 -39.879 -99.200 -91.000 HIS 114 0.900 -22.343 -28.847 -46.254 -99.200 -91.000 TYR 118 0.840 -14.342 -23.237 -43.459 -99.200 -91.000 HIS 133 0.900 1.984 -9.991 -45.272 -99.200 -91.000 PHE 137 1.000 -0.314 -28.008 -49.883 -99.200 -91.000 PHE 145 1.000 -0.785 -37.696 -52.242 -99.200 -91.000 HIS 152 0.900 -13.099 -34.042 -53.215 -99.200 -91.000 TYR 163 0.840 3.781 -38.379 -46.792 -99.200 -91.000 TYR 184 0.840 -8.824 -43.381 -27.896 -99.200 -91.000 PHE 190 1.000 -13.803 -31.829 -32.213 -99.200 -91.000 TYR 192 0.840 -20.916 -37.824 -26.003 -99.200 -91.000 TYR 200 0.840 -27.506 -37.807 -30.770 -99.200 -91.000 TYR 216 0.840 -8.358 -46.319 -31.228 -99.200 -91.000 TRP 223 1.040 -0.403 -38.276 -34.738 -99.200 -91.000 TRP6 223 1.020 -0.133 -40.329 -33.589 -99.200 -91.000 TRP 225 1.040 -2.795 -31.710 -43.328 -99.200 -91.000 TRP6 225 1.020 -2.612 -31.608 -45.692 -99.200 -91.000 PHE 233 1.000 4.104 -26.334 -47.901 -99.200 -91.000 HIS 242 0.900 -4.268 -29.156 -31.048 -99.200 -91.000 PHE 251 1.000 6.168 -20.444 -30.909 -99.200 -91.000 HIS 254 0.900 -3.530 -18.186 -26.596 -99.200 -91.000 TRP 262 1.040 -9.645 -20.230 -23.013 -99.200 -91.000 TRP6 262 1.020 -7.443 -20.993 -22.597 -99.200 -91.000 TRP 266 1.040 -11.580 -25.110 -36.996 -99.200 -91.000 TRP6 266 1.020 -9.582 -23.847 -36.774 -99.200 -91.000 HIS 267 0.900 -13.621 -27.331 -33.799 -99.200 -91.000 PHE 277 1.000 -16.274 -9.067 -32.340 -99.200 -91.000 HIS 301 0.900 -20.623 -9.816 -35.198 -99.200 -91.000 TYR 302 0.840 -25.440 -15.612 -32.042 -99.200 -91.000