============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 5 0.840 -28.841 32.632 31.352 -99.200 -91.000 PHE 9 1.000 -20.389 42.485 26.200 -99.200 -91.000 HIS 14 0.900 -22.840 37.055 10.594 -99.200 -91.000 PHE 23 1.000 -21.061 30.887 24.048 -99.200 -91.000 TRP 29 1.040 -11.654 32.285 20.083 -99.200 -91.000 TRP6 29 1.020 -11.239 34.617 20.026 -99.200 -91.000 TRP 42 1.040 -19.242 37.340 16.617 -99.200 -91.000 TRP6 42 1.020 -19.674 39.585 15.988 -99.200 -91.000 TYR 45 0.840 -15.252 34.186 28.666 -99.200 -91.000 PHE 49 1.000 -15.314 41.227 13.343 -99.200 -91.000 HIS 56 0.900 -19.105 27.311 2.916 -99.200 -91.000 TRP 65 1.040 -16.453 26.723 17.923 -99.200 -91.000 TRP6 65 1.020 -14.525 28.092 17.654 -99.200 -91.000 TRP 84 1.040 -14.298 27.596 7.332 -99.200 -91.000 TRP6 84 1.020 -13.882 28.903 5.403 -99.200 -91.000 HIS 98 0.900 -24.120 15.995 2.233 -99.200 -91.000 TYR 101 0.840 -30.387 24.438 -1.084 -99.200 -91.000 PHE 103 1.000 -31.307 22.999 7.557 -99.200 -91.000 PHE 107 1.000 -14.530 19.585 13.616 -99.200 -91.000 PHE 119 1.000 -33.139 21.623 2.524 -99.200 -91.000 TRP 126 1.040 -18.303 14.891 5.225 -99.200 -91.000 TRP6 126 1.020 -18.031 15.119 2.880 -99.200 -91.000 HIS 140 0.900 -33.574 10.837 8.707 -99.200 -91.000 HIS 148 0.900 -24.819 16.166 19.756 -99.200 -91.000 PHE 149 1.000 -19.795 12.038 15.083 -99.200 -91.000 TYR 161 0.840 -37.981 20.283 7.341 -99.200 -91.000 TRP 168 1.040 -28.155 7.306 11.518 -99.200 -91.000 TRP6 168 1.020 -28.985 5.967 9.747 -99.200 -91.000 PHE 189 1.000 -31.069 20.982 17.767 -99.200 -91.000 PHE 192 1.000 -26.740 10.778 20.833 -99.200 -91.000 TYR 198 0.840 -31.500 10.991 30.037 -99.200 -91.000 TRP 211 1.040 -38.015 11.510 21.989 -99.200 -91.000 TRP6 211 1.020 -39.676 9.864 21.667 -99.200 -91.000 TYR 213 0.840 -29.657 5.051 21.830 -99.200 -91.000 TYR 222 0.840 -38.264 19.954 28.438 -99.200 -91.000 HIS 225 0.900 -41.148 25.688 22.138 -99.200 -91.000 TYR 230 0.840 -38.234 30.544 10.012 -99.200 -91.000 PHE 233 1.000 -28.533 25.253 15.438 -99.200 -91.000 PHE 236 1.000 -29.889 17.935 26.788 -99.200 -91.000 TRP 243 1.040 -31.248 26.740 33.867 -99.200 -91.000 TRP6 243 1.020 -32.720 26.575 35.728 -99.200 -91.000 TYR 254 0.840 -40.643 30.656 25.041 -99.200 -91.000 TRP 256 1.040 -39.699 25.007 28.392 -99.200 -91.000 TRP6 256 1.020 -38.695 25.547 26.305 -99.200 -91.000 HIS 270 0.900 -31.960 38.166 19.448 -99.200 -91.000 HIS 280 0.900 -18.535 30.021 28.314 -99.200 -91.000 TRP 300 1.040 -29.356 36.805 25.839 -99.200 -91.000 TRP6 300 1.020 -31.049 38.421 26.194 -99.200 -91.000