============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 4 0.900 -5.230 -2.558 -16.109 -99.200 -91.000 TYR 14 0.840 14.889 -15.891 -24.031 -99.200 -91.000 PHE 17 1.000 10.118 -8.438 -24.321 -99.200 -91.000 TYR 21 0.840 19.109 -10.460 -17.493 -99.200 -91.000 TYR 34 0.840 22.746 4.424 -6.374 -99.200 -91.000 TYR 37 0.840 33.008 2.211 -5.107 -99.200 -91.000 TYR 40 0.840 22.516 3.387 -10.075 -99.200 -91.000 TRP 49 1.040 8.517 -3.448 -2.252 -99.200 -91.000 TRP6 49 1.020 6.290 -3.994 -1.606 -99.200 -91.000 HIS 50 0.900 8.333 1.160 -2.550 -99.200 -91.000 TRP 55 1.040 -3.418 -5.666 -8.089 -99.200 -91.000 TRP6 55 1.020 -3.707 -7.788 -7.061 -99.200 -91.000 HIS 58 0.900 -9.973 -5.748 -1.277 -99.200 -91.000 TYR 65 0.840 -1.851 -3.629 -18.477 -99.200 -91.000 TYR 69 0.840 8.726 5.652 -10.046 -99.200 -91.000 PHE 71 1.000 1.489 9.241 -16.368 -99.200 -91.000 PHE 75 1.000 7.958 12.053 -10.959 -99.200 -91.000 PHE 87 1.000 11.871 7.555 -14.697 -99.200 -91.000 PHE 89 1.000 20.995 0.940 -13.941 -99.200 -91.000 HIS 94 0.900 11.025 3.249 -21.587 -99.200 -91.000 PHE 97 1.000 17.541 -2.222 -25.714 -99.200 -91.000 TRP 99 1.040 12.072 -2.275 -28.452 -99.200 -91.000 TRP6 99 1.020 11.774 -4.109 -26.992 -99.200 -91.000 PHE 106 1.000 9.069 2.242 -14.694 -99.200 -91.000 TRP 124 1.040 9.564 -9.473 -16.777 -99.200 -91.000 TRP6 124 1.020 9.549 -8.921 -19.100 -99.200 -91.000 TYR 151 0.840 0.882 -1.734 8.420 -99.200 -91.000 PHE 155 1.000 0.889 -3.077 2.447 -99.200 -91.000 PHE 156 1.000 3.501 -7.570 2.098 -99.200 -91.000 HIS 173 0.900 13.055 -4.891 3.814 -99.200 -91.000 HIS 179 0.900 19.730 4.457 0.986 -99.200 -91.000 TYR 185 0.840 12.372 3.479 9.812 -99.200 -91.000 PHE 196 1.000 17.503 -12.652 -3.524 -99.200 -91.000 PHE 200 1.000 14.700 -9.883 6.550 -99.200 -91.000 TYR 201 0.840 14.433 -15.012 5.189 -99.200 -91.000 TRP 209 1.040 18.317 -8.471 15.568 -99.200 -91.000 TRP6 209 1.020 19.314 -7.192 13.831 -99.200 -91.000 TRP 221 1.040 13.521 -3.945 16.815 -99.200 -91.000 TRP6 221 1.020 13.690 -4.721 19.061 -99.200 -91.000 TYR 227 0.840 25.200 -7.040 9.941 -99.200 -91.000 TYR 234 0.840 12.931 -7.658 17.077 -99.200 -91.000 TYR 242 0.840 4.253 -12.753 9.386 -99.200 -91.000 TYR 249 0.840 11.340 -18.897 3.246 -99.200 -91.000 PHE 256 1.000 15.236 -15.913 0.398 -99.200 -91.000 PHE 257 1.000 18.923 -18.005 -4.023 -99.200 -91.000 PHE 260 1.000 12.759 -12.560 -3.839 -99.200 -91.000 PHE 264 1.000 10.900 -9.237 -7.410 -99.200 -91.000 PHE 274 1.000 0.662 -12.272 -17.763 -99.200 -91.000 PHE 282 1.000 9.604 -13.883 -23.186 -99.200 -91.000 PHE 284 1.000 14.321 -12.132 -19.977 -99.200 -91.000