============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 14 1.040 18.176 6.900 1.508 -99.200 -91.000 TRP6 14 1.020 18.144 9.049 0.546 -99.200 -91.000 PHE 19 1.000 10.869 -6.045 13.889 -99.200 -91.000 TRP 37 1.040 10.582 -3.156 -7.662 -99.200 -91.000 TRP6 37 1.020 10.904 -5.497 -7.521 -99.200 -91.000 HIS 43 0.900 25.249 -10.627 4.397 -99.200 -91.000 TYR 47 0.840 27.166 -16.437 4.426 -99.200 -91.000 TRP 49 1.040 27.442 -17.796 9.646 -99.200 -91.000 TRP6 49 1.020 27.871 -15.477 9.542 -99.200 -91.000 PHE 53 1.000 16.137 -14.973 8.051 -99.200 -91.000 HIS 65 0.900 15.670 9.489 14.366 -99.200 -91.000 TYR 70 0.840 3.806 1.716 15.713 -99.200 -91.000 TYR 84 0.840 11.970 -11.341 -8.364 -99.200 -91.000 HIS 86 0.900 23.597 -11.366 -10.146 -99.200 -91.000 TYR 89 0.840 24.610 -14.448 -2.202 -99.200 -91.000 TRP 91 1.040 25.724 -19.411 -1.101 -99.200 -91.000 TRP6 91 1.020 26.314 -21.192 0.313 -99.200 -91.000 TYR 113 0.840 9.194 12.403 9.157 -99.200 -91.000 HIS 115 0.900 11.554 11.197 -2.310 -99.200 -91.000 HIS 129 0.900 36.473 10.145 -10.274 -99.200 -91.000 PHE 132 1.000 35.475 12.699 -5.713 -99.200 -91.000 TRP 139 1.040 17.972 2.155 13.307 -99.200 -91.000 TRP6 139 1.020 16.860 2.291 11.249 -99.200 -91.000 TRP 146 1.040 29.372 -5.201 24.165 -99.200 -91.000 TRP6 146 1.020 28.788 -5.775 21.945 -99.200 -91.000 PHE 183 1.000 31.623 1.234 -2.933 -99.200 -91.000 TYR 187 0.840 37.906 8.652 7.508 -99.200 -91.000 PHE 206 1.000 29.592 4.510 0.360 -99.200 -91.000 TYR 212 0.840 28.764 17.641 -11.654 -99.200 -91.000 TRP 216 1.040 21.363 13.176 -0.297 -99.200 -91.000 TRP6 216 1.020 23.449 12.616 0.635 -99.200 -91.000 TYR 217 0.840 22.333 10.231 -8.466 -99.200 -91.000 TRP 224 1.040 33.124 -8.617 1.603 -99.200 -91.000 TRP6 224 1.020 35.352 -8.772 2.291 -99.200 -91.000 TYR 234 0.840 41.047 0.401 4.306 -99.200 -91.000 PHE 236 1.000 36.600 -5.328 0.919 -99.200 -91.000 TYR 237 0.840 30.717 0.112 2.320 -99.200 -91.000 HIS 239 0.900 30.709 -0.305 -8.613 -99.200 -91.000 PHE 241 1.000 27.256 2.142 -13.763 -99.200 -91.000 TRP 246 1.040 19.766 -9.152 -11.055 -99.200 -91.000 TRP6 246 1.020 19.290 -8.713 -8.783 -99.200 -91.000