============================================================================= 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 3 0.840 9.308 -5.549 43.028 -99.200 -91.000 PHE 29 1.000 14.103 1.704 26.156 -99.200 -91.000 HIS 31 0.900 16.670 -3.708 35.861 -99.200 -91.000 PHE 35 1.000 12.655 -12.643 38.999 -99.200 -91.000 PHE 41 1.000 5.103 -18.645 41.274 -99.200 -91.000 HIS 50 0.900 -4.648 -14.760 47.037 -99.200 -91.000 HIS 56 0.900 -10.183 -17.127 38.485 -99.200 -91.000 TRP 60 1.040 -10.242 -13.497 29.859 -99.200 -91.000 TRP6 60 1.020 -8.979 -11.524 29.617 -99.200 -91.000 PHE 61 1.000 -3.665 -12.698 29.485 -99.200 -91.000 TYR 70 0.840 -12.421 -17.208 33.381 -99.200 -91.000 HIS 72 0.900 -17.009 -7.820 34.806 -99.200 -91.000 TRP 79 1.040 -7.440 -7.379 31.651 -99.200 -91.000 TRP6 79 1.020 -6.266 -5.982 30.142 -99.200 -91.000 TRP 82 1.040 -7.324 -0.511 30.763 -99.200 -91.000 TRP6 82 1.020 -6.236 1.033 29.349 -99.200 -91.000 TYR 93 0.840 -1.847 -8.856 26.831 -99.200 -91.000 TRP 97 1.040 -0.817 -14.943 24.482 -99.200 -91.000 TRP6 97 1.020 -0.704 -15.816 26.681 -99.200 -91.000 TRP 100 1.040 -0.720 -13.267 13.845 -99.200 -91.000 TRP6 100 1.020 0.685 -11.839 15.135 -99.200 -91.000 HIS 107 0.900 -8.522 -16.677 12.362 -99.200 -91.000 TRP 132 1.040 3.786 -4.594 18.570 -99.200 -91.000 TRP6 132 1.020 3.034 -3.190 20.333 -99.200 -91.000 HIS 146 0.900 1.074 -9.691 29.362 -99.200 -91.000 PHE 148 1.000 9.005 -11.772 20.520 -99.200 -91.000 PHE 149 1.000 4.449 -15.778 25.923 -99.200 -91.000 PHE 151 1.000 7.271 -20.670 26.714 -99.200 -91.000 TYR 152 0.840 17.948 -21.994 25.984 -99.200 -91.000 TYR 163 0.840 10.932 -5.588 25.052 -99.200 -91.000 PHE 170 1.000 3.473 -0.547 45.385 -99.200 -91.000 PHE 175 1.000 -1.885 -9.566 37.859 -99.200 -91.000 TYR 180 0.840 4.111 -13.630 30.459 -99.200 -91.000 HIS 185 0.900 6.752 -23.646 38.439 -99.200 -91.000 PHE 198 1.000 9.428 -14.364 33.684 -99.200 -91.000 TRP 200 1.040 9.748 -8.294 33.631 -99.200 -91.000 TRP6 200 1.020 10.813 -6.191 33.736 -99.200 -91.000 HIS 206 0.900 6.271 3.114 33.972 -99.200 -91.000 TRP 208 1.040 2.468 4.735 37.331 -99.200 -91.000 TRP6 208 1.020 1.827 6.377 35.746 -99.200 -91.000 HIS 211 0.900 2.080 3.399 42.316 -99.200 -91.000 HIS 216 0.900 11.221 5.987 49.307 -99.200 -91.000 PHE 239 1.000 -4.805 -24.685 24.876 -99.200 -91.000 TYR 241 0.840 -2.367 -26.544 34.074 -99.200 -91.000 PHE 243 1.000 -8.326 -19.372 41.929 -99.200 -91.000 PHE 246 1.000 -2.487 -23.201 38.548 -99.200 -91.000 TYR 251 0.840 3.466 -14.910 49.486 -99.200 -91.000 HIS 254 0.900 8.431 -8.089 55.454 -99.200 -91.000