============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 8 1.000 15.148 -0.549 9.180 -99.200 -91.000 HIS 10 0.900 18.021 -2.787 -0.092 -99.200 -91.000 TYR 19 0.840 34.885 -4.981 -7.283 -99.200 -91.000 TRP 27 1.040 29.716 -14.368 -7.584 -99.200 -91.000 TRP6 27 1.020 29.365 -15.089 -9.808 -99.200 -91.000 TRP 45 1.040 17.732 7.368 6.942 -99.200 -91.000 TRP6 45 1.020 16.544 5.335 7.053 -99.200 -91.000 TYR 55 0.840 38.723 -5.815 1.245 -99.200 -91.000 HIS 59 0.900 29.970 -12.588 9.691 -99.200 -91.000 HIS 85 0.900 32.863 6.613 17.805 -99.200 -91.000 HIS 94 0.900 32.952 -6.935 17.483 -99.200 -91.000 TYR 96 0.840 32.046 -5.522 10.814 -99.200 -91.000 HIS 106 0.900 29.709 12.183 12.642 -99.200 -91.000 TRP 109 1.040 26.059 17.593 15.963 -99.200 -91.000 TRP6 109 1.020 28.399 17.250 15.813 -99.200 -91.000 HIS 118 0.900 29.758 20.173 3.266 -99.200 -91.000 TYR 132 0.840 40.141 4.576 -5.620 -99.200 -91.000 TYR 133 0.840 35.488 1.499 -12.675 -99.200 -91.000 TYR 154 0.840 35.881 6.909 -12.704 -99.200 -91.000 TRP 177 1.040 53.303 2.969 -18.279 -99.200 -91.000 TRP6 177 1.020 52.666 5.060 -17.408 -99.200 -91.000 TRP 195 1.040 50.859 -9.664 -5.747 -99.200 -91.000 TRP6 195 1.020 51.416 -7.474 -6.407 -99.200 -91.000 PHE 203 1.000 53.168 -5.209 -9.796 -99.200 -91.000 PHE 212 1.000 53.968 -0.515 -10.106 -99.200 -91.000 PHE 220 1.000 52.675 -2.285 10.665 -99.200 -91.000 HIS 231 0.900 65.040 1.851 -5.030 -99.200 -91.000 HIS 232 0.900 57.584 0.795 -8.780 -99.200 -91.000 TYR 235 0.840 49.374 5.424 -1.639 -99.200 -91.000 PHE 257 1.000 48.048 5.582 6.005 -99.200 -91.000 HIS 268 0.900 37.297 6.698 16.254 -99.200 -91.000 PHE 271 1.000 43.635 7.937 7.349 -99.200 -91.000 PHE 274 1.000 48.963 9.612 10.692 -99.200 -91.000 HIS 282 0.900 43.234 10.860 3.285 -99.200 -91.000 TRP 288 1.040 29.216 -3.043 -2.611 -99.200 -91.000 TRP6 288 1.020 30.824 -3.576 -4.237 -99.200 -91.000 HIS 299 0.900 28.108 15.372 3.489 -99.200 -91.000 TRP 312 1.040 35.660 2.051 -5.444 -99.200 -91.000 TRP6 312 1.020 34.230 0.829 -4.021 -99.200 -91.000 TYR 317 0.840 31.395 -1.822 -9.413 -99.200 -91.000 HIS 321 0.900 21.257 6.612 -6.793 -99.200 -91.000 TYR 322 0.840 20.360 2.433 0.226 -99.200 -91.000 PHE 352 1.000 16.876 1.001 3.458 -99.200 -91.000 PHE 357 1.000 17.682 -5.588 18.601 -99.200 -91.000