============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 91 rings ring int. center anis. iso. HIS 25 0.900 28.649 43.209 -11.679 -99.200 -91.000 TYR 27 0.840 25.463 48.651 -11.687 -99.200 -91.000 TYR 32 0.840 17.673 61.131 -6.073 -99.200 -91.000 PHE 42 1.000 15.915 78.295 -3.543 -99.200 -91.000 TRP 51 1.040 18.772 55.957 -18.459 -99.200 -91.000 TRP6 51 1.020 18.090 56.858 -16.385 -99.200 -91.000 HIS 52 0.900 19.958 57.874 -24.379 -99.200 -91.000 TYR 69 0.840 32.648 73.152 7.287 -99.200 -91.000 TYR 71 0.840 36.968 76.926 10.027 -99.200 -91.000 PHE 72 1.000 42.945 72.567 11.824 -99.200 -91.000 PHE 75 1.000 43.923 67.230 10.013 -99.200 -91.000 TRP 81 1.040 33.473 64.157 7.288 -99.200 -91.000 TRP6 81 1.020 35.190 63.472 8.762 -99.200 -91.000 TYR 93 0.840 23.383 63.249 -11.272 -99.200 -91.000 TRP 97 1.040 29.571 50.518 -3.830 -99.200 -91.000 TRP6 97 1.020 28.690 52.663 -3.366 -99.200 -91.000 TRP 112 1.040 26.273 56.749 3.952 -99.200 -91.000 TRP6 112 1.020 26.709 56.488 6.257 -99.200 -91.000 TYR 114 0.840 24.897 63.551 1.703 -99.200 -91.000 PHE 118 1.000 19.704 67.633 8.545 -99.200 -91.000 TYR 128 0.840 30.099 59.448 3.791 -99.200 -91.000 PHE 144 1.000 19.652 58.940 -0.764 -99.200 -91.000 TYR 146 0.840 21.012 64.740 2.456 -99.200 -91.000 PHE 151 1.000 22.344 75.691 -2.896 -99.200 -91.000 PHE 153 1.000 17.174 70.258 4.554 -99.200 -91.000 HIS 155 0.900 8.686 76.139 6.143 -99.200 -91.000 PHE 164 1.000 2.383 82.633 -5.475 -99.200 -91.000 TRP 175 1.040 9.531 66.869 0.602 -99.200 -91.000 TRP6 175 1.020 7.371 65.934 0.391 -99.200 -91.000 TRP 183 1.040 15.567 55.339 -9.250 -99.200 -91.000 TRP6 183 1.020 17.347 53.787 -9.185 -99.200 -91.000 HIS 189 0.900 12.692 45.275 -9.377 -99.200 -91.000 PHE 191 1.000 20.908 48.556 -9.744 -99.200 -91.000 TRP 197 1.040 16.530 41.390 4.475 -99.200 -91.000 TRP6 197 1.020 17.600 39.441 3.697 -99.200 -91.000 PHE 201 1.000 24.235 52.244 5.994 -99.200 -91.000 TRP 237 1.040 22.600 68.343 16.096 -99.200 -91.000 TRP6 237 1.020 22.475 66.758 14.359 -99.200 -91.000 HIS 239 0.900 14.188 70.100 16.915 -99.200 -91.000 HIS 269 0.900 11.745 90.950 -8.205 -99.200 -91.000 TRP 287 1.040 28.182 77.727 5.599 -99.200 -91.000 TRP6 287 1.020 27.806 76.563 7.618 -99.200 -91.000 TYR 290 0.840 27.244 77.996 12.608 -99.200 -91.000 PHE 296 1.000 25.592 72.518 11.282 -99.200 -91.000 PHE 306 1.000 10.003 63.578 4.517 -99.200 -91.000 TYR 323 0.840 8.981 51.964 12.039 -99.200 -91.000 TYR 336 0.840 34.522 67.910 12.893 -99.200 -91.000 PHE 337 1.000 29.952 68.485 15.173 -99.200 -91.000 TYR 340 0.840 36.193 72.616 11.655 -99.200 -91.000 PHE 342 1.000 33.547 79.463 16.118 -99.200 -91.000 TYR 345 0.840 38.259 81.014 22.813 -99.200 -91.000 PHE 346 1.000 39.601 74.224 23.541 -99.200 -91.000 TYR 359 0.840 34.330 75.102 32.344 -99.200 -91.000 PHE 367 1.000 25.863 74.477 26.981 -99.200 -91.000 PHE 380 1.000