============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. HIS 1 0.900 42.147 73.798 -3.902 -99.200 -91.000 PHE 4 1.000 46.147 68.045 -8.363 -99.200 -91.000 HIS 7 0.900 50.091 64.612 -10.958 -99.200 -91.000 PHE 8 1.000 54.312 63.317 -17.859 -99.200 -91.000 TYR 10 0.840 45.398 68.509 -12.838 -99.200 -91.000 PHE 13 1.000 42.181 66.043 -16.069 -99.200 -91.000 HIS 23 0.900 35.757 52.355 -19.607 -99.200 -91.000 TYR 29 0.840 33.070 44.213 -23.679 -99.200 -91.000 PHE 31 1.000 24.512 42.859 -28.066 -99.200 -91.000 HIS 32 0.900 28.323 36.905 -27.502 -99.200 -91.000 TYR 48 0.840 47.826 55.508 -32.961 -99.200 -91.000 PHE 50 1.000 43.550 57.454 -27.805 -99.200 -91.000 TRP 54 1.040 40.212 57.200 -17.956 -99.200 -91.000 TRP6 54 1.020 40.142 58.401 -15.906 -99.200 -91.000 PHE 65 1.000 25.532 46.393 -12.463 -99.200 -91.000 TYR 74 0.840 42.726 39.725 -16.892 -99.200 -91.000 TYR 77 0.840 44.436 43.936 -17.373 -99.200 -91.000 TYR 80 0.840 50.263 42.369 -17.451 -99.200 -91.000 PHE 90 1.000 47.810 52.583 -17.397 -99.200 -91.000 HIS 101 0.900 39.538 50.446 6.050 -99.200 -91.000 PHE 116 1.000 53.636 51.570 -12.564 -99.200 -91.000 PHE 132 1.000 27.451 48.412 -2.281 -99.200 -91.000 HIS 139 0.900 22.881 49.913 -3.363 -99.200 -91.000 PHE 146 1.000 32.201 59.046 -2.063 -99.200 -91.000 PHE 150 1.000 37.014 62.667 -0.793 -99.200 -91.000 TYR 152 0.840 40.737 55.387 7.724 -99.200 -91.000 TYR 158 0.840 47.012 63.374 -0.185 -99.200 -91.000 PHE 161 1.000 54.216 57.985 12.706 -99.200 -91.000 HIS 172 0.900 43.702 57.568 17.749 -99.200 -91.000 PHE 187 1.000 40.340 64.027 -11.482 -99.200 -91.000 PHE 191 1.000 24.282 64.458 -9.234 -99.200 -91.000 TRP 197 1.040 30.560 65.864 0.285 -99.200 -91.000 TRP6 197 1.020 32.032 64.502 -0.963 -99.200 -91.000 PHE 198 1.000 28.830 66.494 -7.480 -99.200 -91.000 HIS 201 0.900 33.974 67.770 0.963 -99.200 -91.000 TRP 205 1.040 30.661 65.470 -11.140 -99.200 -91.000 TRP6 205 1.020 28.950 66.742 -12.161 -99.200 -91.000 TYR 206 0.840 26.234 62.803 -13.975 -99.200 -91.000 TYR 207 0.840 26.747 57.868 -14.123 -99.200 -91.000 HIS 213 0.900 20.549 65.817 -19.650 -99.200 -91.000 TRP 221 1.040 31.344 70.494 -10.031 -99.200 -91.000 TRP6 221 1.020 33.277 70.432 -11.390 -99.200 -91.000 TYR 228 0.840 30.996 75.168 -1.494 -99.200 -91.000 HIS 229 0.900 37.682 74.884 -2.531 -99.200 -91.000 PHE 233 1.000 40.428 73.491 -15.336 -99.200 -91.000 PHE 236 1.000 31.792 66.877 -16.797 -99.200 -91.000 HIS 240 0.900 29.532 52.602 -23.814 -99.200 -91.000 TYR 258 0.840 26.410 61.486 -29.739 -99.200 -91.000 TYR 272 0.840 30.306 65.541 -25.560 -99.200 -91.000 HIS 279 0.900 40.872 61.997 -20.337 -99.200 -91.000 PHE 281 1.000 36.605 57.610 -19.094 -99.200 -91.000 PHE 285 1.000 33.725 49.143 -22.844 -99.200 -91.000 HIS 305 0.900 41.965 67.696 -36.357 -99.200 -91.000 PHE 306 1.000 39.253 67.131 -30.424 -99.200 -91.000