============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 15 1.000 3.981 -11.273 23.735 -99.200 -91.000 TYR 25 0.840 3.564 -6.006 22.651 -99.200 -91.000 PHE 27 1.000 -1.044 -12.414 14.967 -99.200 -91.000 TYR 47 0.840 1.127 -15.431 20.276 -99.200 -91.000 PHE 51 1.000 10.187 -17.998 7.430 -99.200 -91.000 TYR 59 0.840 0.299 -15.386 3.720 -99.200 -91.000 PHE 71 1.000 24.297 -14.788 7.836 -99.200 -91.000 PHE 72 1.000 27.365 -11.128 14.632 -99.200 -91.000 PHE 86 1.000 7.480 -16.751 3.461 -99.200 -91.000 TYR 90 0.840 4.796 -10.958 -1.707 -99.200 -91.000 TYR 95 0.840 3.487 -2.944 1.302 -99.200 -91.000 TYR 96 0.840 13.483 -3.638 6.249 -99.200 -91.000 PHE 98 1.000 15.358 2.296 8.597 -99.200 -91.000 PHE 105 1.000 16.196 -5.709 1.611 -99.200 -91.000 TRP 109 1.040 24.901 -13.977 -3.401 -99.200 -91.000 TRP6 109 1.020 25.271 -16.240 -2.814 -99.200 -91.000 TRP 117 1.040 28.021 -20.539 7.036 -99.200 -91.000 TRP6 117 1.020 26.257 -19.202 6.197 -99.200 -91.000 TYR 119 0.840 28.800 -26.514 1.749 -99.200 -91.000 TYR 121 0.840 21.495 -21.092 2.779 -99.200 -91.000 HIS 148 0.900 16.652 1.311 3.868 -99.200 -91.000 PHE 157 1.000 13.333 5.110 0.870 -99.200 -91.000 TYR 159 0.840 6.106 9.961 10.430 -99.200 -91.000 PHE 160 1.000 1.673 4.068 10.863 -99.200 -91.000 TYR 165 0.840 4.580 -1.961 18.549 -99.200 -91.000 HIS 168 0.900 -2.721 4.105 18.973 -99.200 -91.000 PHE 172 1.000 -1.971 2.272 27.376 -99.200 -91.000 TYR 186 0.840 18.378 4.200 28.352 -99.200 -91.000 PHE 190 1.000 28.145 0.122 24.441 -99.200 -91.000 PHE 202 1.000 21.046 13.829 29.535 -99.200 -91.000 PHE 204 1.000 27.810 5.199 32.855 -99.200 -91.000 PHE 212 1.000 21.951 1.253 30.354 -99.200 -91.000 PHE 213 1.000 14.644 -1.573 32.304 -99.200 -91.000 PHE 221 1.000 27.819 2.064 28.961 -99.200 -91.000 TYR 226 0.840 31.549 9.797 24.033 -99.200 -91.000 TRP 228 1.040 32.455 5.340 32.600 -99.200 -91.000 TRP6 228 1.020 32.471 3.633 34.236 -99.200 -91.000 PHE 234 1.000 25.471 -0.699 33.294 -99.200 -91.000 TYR 261 0.840 16.783 6.252 16.709 -99.200 -91.000 PHE 265 1.000 13.933 6.721 13.588 -99.200 -91.000 TRP 271 1.040 4.572 6.146 21.819 -99.200 -91.000 TRP6 271 1.020 3.348 8.155 22.092 -99.200 -91.000 PHE 286 1.000 14.114 11.334 21.409 -99.200 -91.000 HIS 290 0.900 10.695 21.951 25.279 -99.200 -91.000 PHE 298 1.000 6.328 16.545 31.834 -99.200 -91.000 TYR 299 0.840 10.971 18.368 26.491 -99.200 -91.000 HIS 315 0.900 11.944 19.758 49.234 -99.200 -91.000 HIS 328 0.900 0.132 8.578 33.800 -99.200 -91.000 TRP 341 1.040 -0.640 4.556 14.765 -99.200 -91.000 TRP6 341 1.020 -0.908 2.236 15.128 -99.200 -91.000 PHE 345 1.000 0.120 -1.142 9.362 -99.200 -91.000