============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 15 0.840 24.746 9.055 17.084 -99.200 -91.000 PHE 16 1.000 22.110 4.993 10.274 -99.200 -91.000 TYR 30 0.840 9.330 -0.162 16.699 -99.200 -91.000 PHE 38 1.000 17.913 1.692 13.568 -99.200 -91.000 PHE 59 1.000 9.033 17.257 36.480 -99.200 -91.000 PHE 61 1.000 10.756 12.181 34.716 -99.200 -91.000 TYR 68 0.840 18.032 5.410 30.551 -99.200 -91.000 TRP 70 1.040 13.579 -2.043 23.563 -99.200 -91.000 TRP6 70 1.020 14.797 -1.196 21.710 -99.200 -91.000 HIS 81 0.900 13.131 15.639 19.924 -99.200 -91.000 TRP 85 1.040 9.193 21.762 19.452 -99.200 -91.000 TRP6 85 1.020 8.298 19.599 19.240 -99.200 -91.000 HIS 86 0.900 6.972 25.168 17.638 -99.200 -91.000 TRP 92 1.040 1.264 21.964 32.795 -99.200 -91.000 TRP6 92 1.020 3.327 23.081 33.094 -99.200 -91.000 HIS 108 0.900 9.582 19.921 31.148 -99.200 -91.000 HIS 115 0.900 13.505 10.063 36.201 -99.200 -91.000 TYR 116 0.840 15.369 10.301 31.720 -99.200 -91.000 TRP 123 1.040 19.125 15.881 28.213 -99.200 -91.000 TRP6 123 1.020 16.848 15.315 28.024 -99.200 -91.000 PHE 130 1.000 16.963 30.745 14.493 -99.200 -91.000 TRP 150 1.040 13.016 31.534 23.217 -99.200 -91.000 TRP6 150 1.020 12.770 29.205 22.889 -99.200 -91.000 PHE 155 1.000 21.234 25.442 24.008 -99.200 -91.000 TYR 169 0.840 18.446 25.761 17.622 -99.200 -91.000 TYR 172 0.840 11.137 22.656 10.389 -99.200 -91.000 TRP 177 1.040 27.050 28.004 3.412 -99.200 -91.000 TRP6 177 1.020 27.272 28.276 5.753 -99.200 -91.000 TRP 179 1.040 17.102 26.952 1.423 -99.200 -91.000 TRP6 179 1.020 15.053 25.918 2.019 -99.200 -91.000 TYR 186 0.840 28.082 30.270 10.441 -99.200 -91.000 PHE 192 1.000 22.883 31.011 21.775 -99.200 -91.000 PHE 204 1.000 23.165 20.938 10.966 -99.200 -91.000 HIS 207 0.900 12.125 15.315 9.795 -99.200 -91.000 PHE 208 1.000 18.061 16.358 3.761 -99.200 -91.000 TYR 214 0.840 22.077 15.756 -0.064 -99.200 -91.000 PHE 218 1.000 23.204 17.801 6.097 -99.200 -91.000 PHE 225 1.000 25.547 25.718 11.749 -99.200 -91.000 TYR 247 0.840 17.524 7.365 3.571 -99.200 -91.000 TRP 266 1.040 11.109 11.411 13.840 -99.200 -91.000 TRP6 266 1.020 12.340 11.719 15.832 -99.200 -91.000 TRP 274 1.040 7.602 12.587 10.658 -99.200 -91.000 TRP6 274 1.020 7.356 14.912 10.897 -99.200 -91.000 PHE 283 1.000 15.410 -1.781 8.483 -99.200 -91.000 TYR 293 0.840 20.073 -2.243 6.050 -99.200 -91.000