============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. HIS 3 0.900 74.897 -12.626 65.222 -99.200 -91.000 PHE 11 1.000 91.478 -6.070 76.674 -99.200 -91.000 TYR 15 0.840 85.148 -8.436 78.857 -99.200 -91.000 HIS 17 0.900 85.645 -14.596 69.689 -99.200 -91.000 PHE 31 1.000 88.417 -32.043 69.587 -99.200 -91.000 TRP 62 1.040 100.134 -9.057 61.318 -99.200 -91.000 TRP6 62 1.020 101.281 -11.118 61.541 -99.200 -91.000 TYR 65 0.840 94.572 -8.624 62.575 -99.200 -91.000 TYR 66 0.840 99.739 -10.387 71.976 -99.200 -91.000 PHE 92 1.000 100.429 -25.894 70.271 -99.200 -91.000 TYR 94 0.840 104.978 -28.673 59.829 -99.200 -91.000 TYR 107 0.840 83.779 -16.577 42.122 -99.200 -91.000 TRP 120 1.040 86.666 -26.292 58.243 -99.200 -91.000 TRP6 120 1.020 86.244 -26.616 60.549 -99.200 -91.000 PHE 122 1.000 89.198 -30.442 63.431 -99.200 -91.000 PHE 123 1.000 89.192 -35.112 64.947 -99.200 -91.000 PHE 145 1.000 85.046 -14.050 61.943 -99.200 -91.000 PHE 157 1.000 78.336 -12.075 53.664 -99.200 -91.000 TYR 166 0.840 92.120 -22.883 56.366 -99.200 -91.000 HIS 170 0.900 97.096 -31.403 54.757 -99.200 -91.000 HIS 182 0.900 92.572 -20.544 60.791 -99.200 -91.000 TYR 198 0.840 98.145 -11.550 45.003 -99.200 -91.000 PHE 212 1.000 92.458 -22.589 47.615 -99.200 -91.000 HIS 219 0.900 85.377 -7.185 38.236 -99.200 -91.000 PHE 222 1.000 93.134 -13.796 45.913 -99.200 -91.000 PHE 226 1.000 98.724 -20.020 52.560 -99.200 -91.000 HIS 244 0.900 92.706 -26.055 46.607 -99.200 -91.000 HIS 247 0.900 94.065 -32.682 44.935 -99.200 -91.000 HIS 252 0.900 102.527 -24.932 45.036 -99.200 -91.000 TRP 266 1.040 94.619 -36.208 43.350 -99.200 -91.000 TRP6 266 1.020 95.801 -36.212 45.404 -99.200 -91.000 HIS 269 0.900 89.814 -30.190 41.444 -99.200 -91.000 PHE 274 1.000 79.585 -35.980 36.228 -99.200 -91.000 PHE 279 1.000 75.231 -24.530 39.182 -99.200 -91.000 PHE 286 1.000 77.277 -22.776 44.358 -99.200 -91.000 TRP 290 1.040 77.847 -26.345 48.111 -99.200 -91.000 TRP6 290 1.020 80.199 -26.432 47.896 -99.200 -91.000 TYR 296 0.840 78.053 -42.122 53.879 -99.200 -91.000 PHE 298 1.000 86.735 -42.614 52.879 -99.200 -91.000 TYR 304 0.840 82.652 -41.527 63.569 -99.200 -91.000 PHE 315 1.000 81.612 -23.622 58.371 -99.200 -91.000 TYR 319 0.840 80.843 -16.712 51.340 -99.200 -91.000 HIS 321 0.900 80.368 -13.455 45.805 -99.200 -91.000 PHE 340 1.000 73.396 -19.112 60.670 -99.200 -91.000 PHE 344 1.000 77.771 -7.834 55.825 -99.200 -91.000