============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 27 0.900 -6.882 7.980 0.168 -99.200 -91.000 TYR 31 0.840 -7.362 8.105 -8.572 -99.200 -91.000 TRP 32 1.040 -13.389 0.633 -9.915 -99.200 -91.000 TRP6 32 1.020 -12.791 -1.687 -9.948 -99.200 -91.000 TYR 33 0.840 -5.494 2.469 -12.968 -99.200 -91.000 HIS 39 0.900 4.282 -6.592 -19.621 -99.200 -91.000 HIS 45 0.900 -16.616 1.948 -14.567 -99.200 -91.000 TYR 46 0.840 -12.096 9.296 -14.804 -99.200 -91.000 TYR 48 0.840 -13.955 15.257 -8.887 -99.200 -91.000 TYR 62 0.840 -18.448 0.096 -19.187 -99.200 -91.000 PHE 72 1.000 -17.302 3.921 -9.116 -99.200 -91.000 TYR 87 0.840 -13.239 -7.033 -13.568 -99.200 -91.000 PHE 88 1.000 -5.736 -5.832 -8.306 -99.200 -91.000 PHE 100 1.000 -3.694 5.559 0.767 -99.200 -91.000 PHE 101 1.000 -3.811 -0.122 -7.396 -99.200 -91.000 TYR 114 0.840 -10.294 -29.178 -11.067 -99.200 -91.000 TRP 150 1.040 21.248 -15.599 -10.888 -99.200 -91.000 TRP6 150 1.020 19.944 -17.608 -10.968 -99.200 -91.000 TYR 161 0.840 10.427 9.672 -22.690 -99.200 -91.000 PHE 166 1.000 8.376 14.366 -21.234 -99.200 -91.000 TYR 168 0.840 7.217 15.243 -10.668 -99.200 -91.000 PHE 169 1.000 8.089 10.663 -17.250 -99.200 -91.000 TRP 171 1.040 9.066 2.009 -9.222 -99.200 -91.000 TRP6 171 1.020 9.801 -0.078 -10.141 -99.200 -91.000 TYR 172 0.840 1.451 3.268 -8.902 -99.200 -91.000 PHE 175 1.000 4.372 -6.369 -4.794 -99.200 -91.000 PHE 198 1.000 14.225 3.180 -6.249 -99.200 -91.000 PHE 201 1.000 22.681 6.007 -12.864 -99.200 -91.000 PHE 202 1.000 18.056 12.432 -19.619 -99.200 -91.000 HIS 212 0.900 21.280 0.945 -13.323 -99.200 -91.000 TYR 224 0.840 9.164 -4.866 -9.867 -99.200 -91.000 PHE 225 1.000 1.582 -2.789 -14.323 -99.200 -91.000 PHE 232 1.000 -6.270 18.291 -14.895 -99.200 -91.000 PHE 237 1.000 -2.091 1.690 -18.307 -99.200 -91.000 TYR 248 0.840 21.731 -18.542 -1.472 -99.200 -91.000