============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. HIS 19 0.900 -13.744 25.360 24.488 -99.200 -91.000 TYR 22 0.840 -9.474 26.112 30.999 -99.200 -91.000 TYR 26 0.840 -4.181 28.153 33.408 -99.200 -91.000 TYR 30 0.840 1.150 20.103 42.542 -99.200 -91.000 TYR 32 0.840 -0.482 30.188 37.422 -99.200 -91.000 TYR 37 0.840 8.403 23.874 33.124 -99.200 -91.000 TYR 44 0.840 2.107 31.645 21.297 -99.200 -91.000 TRP 45 1.040 1.204 27.709 24.554 -99.200 -91.000 TRP6 45 1.020 2.010 26.455 26.377 -99.200 -91.000 HIS 57 0.900 -13.021 41.776 24.431 -99.200 -91.000 PHE 67 1.000 5.574 37.286 32.809 -99.200 -91.000 HIS 73 0.900 17.101 37.097 32.319 -99.200 -91.000 HIS 84 0.900 11.568 30.449 36.270 -99.200 -91.000 HIS 87 0.900 15.553 27.593 25.692 -99.200 -91.000 TYR 90 0.840 10.474 29.360 27.983 -99.200 -91.000 TYR 101 0.840 -1.621 42.217 24.404 -99.200 -91.000 HIS 105 0.900 5.912 50.002 22.015 -99.200 -91.000 TYR 115 0.840 19.319 34.806 23.994 -99.200 -91.000 PHE 126 1.000 19.916 29.789 14.781 -99.200 -91.000 TRP 131 1.040 23.462 26.870 30.750 -99.200 -91.000 TRP6 131 1.020 25.508 26.647 31.898 -99.200 -91.000 PHE 138 1.000 16.112 24.508 21.436 -99.200 -91.000 PHE 140 1.000 8.655 27.875 14.097 -99.200 -91.000 PHE 163 1.000 21.331 21.376 12.640 -99.200 -91.000 PHE 170 1.000 12.664 5.780 7.108 -99.200 -91.000 PHE 174 1.000 12.445 18.245 7.557 -99.200 -91.000 HIS 183 0.900 7.446 14.155 17.895 -99.200 -91.000 TYR 188 0.840 4.626 24.407 13.927 -99.200 -91.000 PHE 193 1.000 15.202 26.923 8.872 -99.200 -91.000 HIS 201 0.900 13.377 25.228 -3.429 -99.200 -91.000 TRP 210 1.040 1.581 7.378 2.746 -99.200 -91.000 TRP6 210 1.020 3.362 5.877 3.116 -99.200 -91.000 TRP 211 1.040 6.087 9.431 8.813 -99.200 -91.000 TRP6 211 1.020 5.734 10.883 10.639 -99.200 -91.000 TYR 234 0.840 1.046 14.665 18.317 -99.200 -91.000 TRP 236 1.040 -0.095 24.058 15.665 -99.200 -91.000 TRP6 236 1.020 -1.212 25.533 14.210 -99.200 -91.000 TRP 237 1.040 2.316 19.653 17.955 -99.200 -91.000 TRP6 237 1.020 3.249 21.814 18.284 -99.200 -91.000 HIS 249 0.900 -5.472 17.727 -0.858 -99.200 -91.000 TRP 250 1.040 -2.963 14.167 0.067 -99.200 -91.000 TRP6 250 1.020 -0.682 13.713 -0.348 -99.200 -91.000 PHE 259 1.000 -8.966 12.746 18.888 -99.200 -91.000 PHE 271 1.000 -11.035 22.333 22.352 -99.200 -91.000 PHE 282 1.000 0.932 22.142 24.306 -99.200 -91.000 HIS 283 0.900 -2.799 19.082 25.316 -99.200 -91.000 PHE 286 1.000 -0.455 24.094 20.275 -99.200 -91.000 PHE 306 1.000 5.649 33.587 11.502 -99.200 -91.000