============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 17 0.840 25.594 -16.340 29.922 -99.200 -91.000 PHE 30 1.000 16.936 -20.665 29.461 -99.200 -91.000 HIS 49 0.900 23.851 -21.954 39.458 -99.200 -91.000 TYR 53 0.840 28.812 -12.065 42.378 -99.200 -91.000 TYR 64 0.840 5.448 -25.121 23.305 -99.200 -91.000 HIS 108 0.900 -0.808 -22.409 26.796 -99.200 -91.000 TYR 111 0.840 3.576 -15.347 19.857 -99.200 -91.000 HIS 126 0.900 4.871 -23.182 6.786 -99.200 -91.000 TYR 128 0.840 2.773 -12.946 7.067 -99.200 -91.000 PHE 141 1.000 20.340 -13.741 14.619 -99.200 -91.000 PHE 150 1.000 30.265 -6.865 4.582 -99.200 -91.000 TYR 152 0.840 37.233 -11.456 12.565 -99.200 -91.000 PHE 158 1.000 38.850 -1.521 4.213 -99.200 -91.000 HIS 173 0.900 21.736 -16.718 8.267 -99.200 -91.000 PHE 181 1.000 31.452 -6.207 -0.758 -99.200 -91.000 PHE 193 1.000 34.907 -2.512 -0.145 -99.200 -91.000 TRP 221 1.040 31.279 -18.365 21.632 -99.200 -91.000 TRP6 221 1.020 30.087 -19.219 23.487 -99.200 -91.000 HIS 229 0.900 22.445 -5.157 18.536 -99.200 -91.000 HIS 236 0.900 16.149 -1.924 27.782 -99.200 -91.000 PHE 252 1.000 14.994 -2.759 0.265 -99.200 -91.000 HIS 254 0.900 12.558 -7.455 -5.230 -99.200 -91.000 PHE 259 1.000 14.543 -9.982 0.118 -99.200 -91.000 TRP 276 1.040 19.613 0.959 4.519 -99.200 -91.000 TRP6 276 1.020 21.302 -0.569 5.145 -99.200 -91.000 TYR 281 0.840 27.646 -6.592 -6.467 -99.200 -91.000 TYR 297 0.840 5.977 -20.068 1.886 -99.200 -91.000