============================================================================= 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 10 0.840 48.998 49.263 66.629 -99.200 -91.000 TYR 15 0.840 51.666 40.988 72.146 -99.200 -91.000 TYR 16 0.840 49.464 49.231 74.070 -99.200 -91.000 PHE 28 1.000 52.237 58.393 82.488 -99.200 -91.000 PHE 32 1.000 54.022 45.725 82.413 -99.200 -91.000 TRP 40 1.040 61.678 54.470 79.202 -99.200 -91.000 TRP6 40 1.020 60.454 55.645 77.599 -99.200 -91.000 TYR 50 0.840 63.516 65.673 71.802 -99.200 -91.000 TYR 55 0.840 51.255 63.160 67.421 -99.200 -91.000 HIS 56 0.900 53.808 58.508 72.580 -99.200 -91.000 PHE 59 1.000 55.033 61.635 87.341 -99.200 -91.000 TYR 67 0.840 58.736 64.521 91.993 -99.200 -91.000 HIS 69 0.900 65.004 67.308 92.623 -99.200 -91.000 TYR 78 0.840 65.161 51.077 76.023 -99.200 -91.000 PHE 86 1.000 64.019 64.930 85.290 -99.200 -91.000 PHE 103 1.000 58.746 58.014 87.989 -99.200 -91.000 PHE 114 1.000 61.333 55.561 71.964 -99.200 -91.000 PHE 119 1.000 55.514 51.038 73.394 -99.200 -91.000 PHE 127 1.000 67.948 38.305 86.371 -99.200 -91.000 PHE 139 1.000 59.122 39.830 90.138 -99.200 -91.000 PHE 153 1.000 58.848 38.400 85.662 -99.200 -91.000 PHE 155 1.000 56.071 39.106 80.244 -99.200 -91.000 TYR 156 0.840 47.673 34.203 76.298 -99.200 -91.000 TYR 157 0.840 53.718 39.167 74.712 -99.200 -91.000 HIS 176 0.900 45.133 32.925 78.787 -99.200 -91.000 TYR 177 0.840 50.435 26.660 82.285 -99.200 -91.000 PHE 181 1.000 55.286 26.974 82.595 -99.200 -91.000 HIS 182 0.900 58.683 19.883 79.478 -99.200 -91.000 TYR 183 0.840 60.326 25.414 84.978 -99.200 -91.000 TRP 192 1.040 64.909 37.729 82.941 -99.200 -91.000 TRP6 192 1.020 64.463 35.937 84.348 -99.200 -91.000 TYR 222 0.840 58.923 42.123 63.744 -99.200 -91.000 PHE 244 1.000 68.024 48.954 58.242 -99.200 -91.000 TYR 246 0.840 65.885 39.266 55.490 -99.200 -91.000 PHE 261 1.000 63.797 29.520 66.891 -99.200 -91.000 HIS 262 0.900 67.269 21.601 67.680 -99.200 -91.000 TYR 268 0.840 61.023 24.638 73.936 -99.200 -91.000 TYR 275 0.840 58.269 30.921 59.749 -99.200 -91.000 PHE 277 1.000 53.701 39.603 61.307 -99.200 -91.000 TYR 281 0.840 45.874 33.136 52.086 -99.200 -91.000 HIS 291 0.900 62.436 42.788 61.147 -99.200 -91.000 TRP 303 1.040 70.024 32.956 67.059 -99.200 -91.000 TRP6 303 1.020 68.486 32.775 65.315 -99.200 -91.000 PHE 309 1.000 60.326 30.444 71.624 -99.200 -91.000 PHE 313 1.000 56.804 27.087 71.809 -99.200 -91.000 TYR 314 0.840 51.606 31.391 80.672 -99.200 -91.000 PHE 317 1.000 60.389 35.772 81.348 -99.200 -91.000 PHE 326 1.000 61.040 29.182 76.724 -99.200 -91.000