============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TRP 8 1.040 -8.046 23.467 -2.913 -99.200 -91.000 TRP6 8 1.020 -6.286 22.050 -3.682 -99.200 -91.000 HIS 10 0.900 -10.066 27.910 -3.751 -99.200 -91.000 TYR 21 0.840 -20.179 22.123 -1.568 -99.200 -91.000 HIS 29 0.900 -17.777 26.636 -14.246 -99.200 -91.000 TYR 30 0.840 -10.523 26.724 -17.656 -99.200 -91.000 TRP 39 1.040 -15.092 28.984 -23.426 -99.200 -91.000 TRP6 39 1.020 -14.915 27.490 -21.571 -99.200 -91.000 TRP 50 1.040 -23.799 29.815 -26.300 -99.200 -91.000 TRP6 50 1.020 -25.497 29.514 -27.918 -99.200 -91.000 TYR 51 0.840 -19.740 29.312 -22.303 -99.200 -91.000 TYR 54 0.840 -27.198 33.284 -25.931 -99.200 -91.000 HIS 62 0.900 -23.478 37.749 -5.778 -99.200 -91.000 TRP 65 1.040 -22.872 35.161 -10.645 -99.200 -91.000 TRP6 65 1.020 -25.072 35.067 -9.776 -99.200 -91.000 PHE 68 1.000 -25.623 27.934 -4.841 -99.200 -91.000 TYR 76 0.840 -19.159 10.499 -9.043 -99.200 -91.000 TYR 79 0.840 -26.515 12.111 -7.332 -99.200 -91.000 TYR 89 0.840 -37.951 3.044 -0.671 -99.200 -91.000 PHE 94 1.000 -39.475 0.398 -9.904 -99.200 -91.000 PHE 97 1.000 -45.569 -2.243 -3.890 -99.200 -91.000 HIS 102 0.900 -49.201 -2.135 -7.955 -99.200 -91.000 TRP 110 1.040 -53.623 2.994 -12.710 -99.200 -91.000 TRP6 110 1.020 -54.001 5.311 -12.396 -99.200 -91.000 HIS 112 0.900 -56.913 1.008 -21.832 -99.200 -91.000 TYR 118 0.840 -45.604 6.333 -14.910 -99.200 -91.000 TYR 123 0.840 -41.056 10.963 -25.976 -99.200 -91.000 PHE 125 1.000 -40.468 12.539 -15.318 -99.200 -91.000 HIS 126 0.900 -33.519 13.046 -23.022 -99.200 -91.000 TYR 134 0.840 -27.859 26.546 -22.484 -99.200 -91.000 TRP 158 1.040 -36.866 12.170 -10.970 -99.200 -91.000 TRP6 158 1.020 -37.630 14.436 -11.046 -99.200 -91.000 HIS 161 0.900 -37.034 6.153 -10.565 -99.200 -91.000 TYR 164 0.840 -37.970 -2.202 -14.016 -99.200 -91.000 HIS 167 0.900 -40.410 -4.542 -20.771 -99.200 -91.000 TYR 173 0.840 -53.078 -4.154 -16.905 -99.200 -91.000 HIS 181 0.900 -49.832 2.974 -29.933 -99.200 -91.000 TRP 186 1.040 -43.033 15.069 -26.392 -99.200 -91.000 TRP6 186 1.020 -43.248 16.276 -24.350 -99.200 -91.000 TRP 192 1.040 -48.898 13.628 -22.868 -99.200 -91.000 TRP6 192 1.020 -47.528 13.782 -20.928 -99.200 -91.000 PHE 206 1.000 -30.307 28.610 -27.154 -99.200 -91.000 TRP 208 1.040 -26.053 32.889 -15.812 -99.200 -91.000 TRP6 208 1.020 -26.703 32.027 -13.702 -99.200 -91.000 PHE 212 1.000 -31.692 29.329 -10.780 -99.200 -91.000 PHE 228 1.000 -42.752 14.260 -10.109 -99.200 -91.000 TRP 236 1.040 -55.712 6.620 -1.442 -99.200 -91.000 TRP6 236 1.020 -58.005 7.259 -1.226 -99.200 -91.000 HIS 257 0.900 -33.747 18.036 -8.734 -99.200 -91.000 TRP 260 1.040 -30.040 22.935 -7.154 -99.200 -91.000 TRP6 260 1.020 -29.489 24.661 -8.704 -99.200 -91.000 HIS 267 0.900 -24.161 34.108 -3.617 -99.200 -91.000 HIS 275 0.900 -37.826 41.214 -5.807 -99.200 -91.000 TRP 281 1.040 -35.602 36.527 -17.367 -99.200 -91.000 TRP6 281 1.020 -33.403 36.465 -16.457 -99.200 -91.000 TRP 285 1.040 -39.673 31.914 -19.200 -99.200 -91.000 TRP6 285 1.020 -39.601 30.444 -21.041 -99.200 -91.000 TYR 296 0.840 -50.338 15.409 -16.658 -99.200 -91.000