============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 6 1.000 7.492 17.550 40.186 -99.200 -91.000 TRP 14 1.040 3.283 27.510 54.748 -99.200 -91.000 TRP6 14 1.020 1.085 26.708 55.092 -99.200 -91.000 PHE 15 1.000 9.131 27.372 49.763 -99.200 -91.000 TYR 19 0.840 14.747 32.889 43.127 -99.200 -91.000 HIS 22 0.900 25.780 33.341 44.118 -99.200 -91.000 TYR 28 0.840 15.209 28.351 45.809 -99.200 -91.000 TRP 39 1.040 8.998 40.929 61.095 -99.200 -91.000 TRP6 39 1.020 11.333 41.253 61.232 -99.200 -91.000 HIS 45 0.900 21.998 25.789 56.340 -99.200 -91.000 PHE 47 1.000 19.557 33.968 54.663 -99.200 -91.000 TYR 50 0.840 28.674 34.115 49.318 -99.200 -91.000 TYR 56 0.840 21.056 36.667 50.660 -99.200 -91.000 TYR 59 0.840 10.568 36.606 42.887 -99.200 -91.000 PHE 75 1.000 7.019 40.884 49.226 -99.200 -91.000 HIS 83 0.900 20.673 32.395 68.046 -99.200 -91.000 TYR 86 0.840 25.409 28.929 61.848 -99.200 -91.000 HIS 93 0.900 24.407 23.872 59.157 -99.200 -91.000 HIS 94 0.900 25.374 22.540 67.252 -99.200 -91.000 TYR 125 0.840 10.649 26.077 75.894 -99.200 -91.000 PHE 130 1.000 9.086 13.983 70.013 -99.200 -91.000 PHE 139 1.000 10.267 26.516 44.025 -99.200 -91.000 TYR 147 0.840 23.391 18.633 36.158 -99.200 -91.000 TYR 149 0.840 18.723 23.842 43.850 -99.200 -91.000 HIS 163 0.900 14.651 16.158 70.635 -99.200 -91.000 HIS 170 0.900 18.545 3.791 66.449 -99.200 -91.000 TYR 171 0.840 17.037 6.466 63.825 -99.200 -91.000 TYR 172 0.840 21.634 12.185 61.962 -99.200 -91.000 TRP 188 1.040 14.655 4.684 56.736 -99.200 -91.000 TRP6 188 1.020 15.190 6.433 58.238 -99.200 -91.000 TRP 217 1.040 21.785 19.060 61.199 -99.200 -91.000 TRP6 217 1.020 22.632 16.901 61.681 -99.200 -91.000 TYR 230 0.840 13.016 18.805 59.190 -99.200 -91.000 HIS 235 0.900 12.850 23.638 72.956 -99.200 -91.000 PHE 236 1.000 16.377 28.390 68.289 -99.200 -91.000 TRP 239 1.040 17.169 35.006 68.267 -99.200 -91.000 TRP6 239 1.020 16.596 34.833 65.976 -99.200 -91.000 HIS 243 0.900 16.566 39.157 67.717 -99.200 -91.000