============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 6 0.840 -13.747 6.557 -28.289 -99.200 -91.000 TYR 8 0.840 -10.512 -2.125 -28.834 -99.200 -91.000 PHE 19 1.000 -30.370 -3.114 -18.506 -99.200 -91.000 PHE 39 1.000 -32.441 22.779 16.566 -99.200 -91.000 TRP 71 1.040 -40.270 13.032 13.013 -99.200 -91.000 TRP6 71 1.020 -39.771 14.250 14.986 -99.200 -91.000 PHE 82 1.000 -28.225 18.664 18.773 -99.200 -91.000 TYR 98 0.840 -23.980 18.912 36.991 -99.200 -91.000 PHE 115 1.000 -42.816 7.280 20.104 -99.200 -91.000 PHE 129 1.000 -27.112 22.195 29.068 -99.200 -91.000 HIS 132 0.900 -19.144 30.864 29.024 -99.200 -91.000 TYR 143 0.840 -7.578 27.622 26.679 -99.200 -91.000 HIS 160 0.900 -27.084 13.796 28.412 -99.200 -91.000 HIS 190 0.900 -25.430 3.982 33.297 -99.200 -91.000 TYR 198 0.840 -21.277 15.924 17.606 -99.200 -91.000 TYR 202 0.840 -12.439 19.919 9.923 -99.200 -91.000 TYR 206 0.840 -20.486 25.974 5.202 -99.200 -91.000 TYR 207 0.840 -20.287 24.159 13.329 -99.200 -91.000 PHE 210 1.000 -26.994 23.778 17.536 -99.200 -91.000 TYR 228 0.840 -13.736 25.325 21.806 -99.200 -91.000 HIS 240 0.900 -1.919 12.185 13.850 -99.200 -91.000 TYR 261 0.840 -15.177 20.992 6.860 -99.200 -91.000 PHE 272 1.000 -8.409 6.147 11.997 -99.200 -91.000 PHE 277 1.000 -22.942 6.818 12.633 -99.200 -91.000 TYR 279 0.840 -25.403 17.789 13.235 -99.200 -91.000 TYR 285 0.840 -33.429 22.515 6.843 -99.200 -91.000 HIS 288 0.900 -28.048 21.856 0.196 -99.200 -91.000 TRP 296 1.040 -32.720 31.640 -6.825 -99.200 -91.000 TRP6 296 1.020 -31.404 32.746 -5.200 -99.200 -91.000 PHE 309 1.000 -23.620 14.620 3.871 -99.200 -91.000 TYR 320 0.840 -30.649 20.382 11.705 -99.200 -91.000 PHE 321 1.000 -32.819 19.459 3.526 -99.200 -91.000