============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. HIS 11 0.900 -24.135 -7.541 3.166 -99.200 -91.000 HIS 12 0.900 -26.371 -8.529 6.608 -99.200 -91.000 HIS 15 0.900 -24.262 -12.918 3.104 -99.200 -91.000 TRP 26 1.040 -26.767 -21.530 -14.584 -99.200 -91.000 TRP6 26 1.020 -24.503 -21.903 -15.156 -99.200 -91.000 TRP 35 1.040 -22.248 -24.651 -12.170 -99.200 -91.000 TRP6 35 1.020 -24.248 -25.663 -11.407 -99.200 -91.000 HIS 59 0.900 -7.397 -24.224 -18.107 -99.200 -91.000 TRP 60 1.040 -15.690 -18.787 -19.605 -99.200 -91.000 TRP6 60 1.020 -15.993 -16.538 -18.937 -99.200 -91.000 PHE 63 1.000 -10.735 -13.878 -22.251 -99.200 -91.000 TRP 70 1.040 -19.461 -10.113 -17.271 -99.200 -91.000 TRP6 70 1.020 -17.817 -11.295 -16.050 -99.200 -91.000 TRP 75 1.040 -13.346 -7.590 -11.363 -99.200 -91.000 TRP6 75 1.020 -12.635 -7.974 -9.141 -99.200 -91.000 PHE 82 1.000 -8.184 -11.847 -9.288 -99.200 -91.000 TYR 85 0.840 -4.162 -24.920 -14.215 -99.200 -91.000 HIS 89 0.900 -1.075 -18.545 -8.596 -99.200 -91.000 PHE 100 1.000 2.486 -7.749 -0.621 -99.200 -91.000 TYR 140 0.840 -12.358 4.833 0.420 -99.200 -91.000 HIS 149 0.900 7.041 2.314 3.125 -99.200 -91.000 PHE 161 1.000 -2.439 4.914 -9.722 -99.200 -91.000 PHE 169 1.000 -12.701 -3.924 -5.832 -99.200 -91.000 TYR 186 0.840 -4.914 -1.738 -18.509 -99.200 -91.000 TYR 233 0.840 -4.553 3.977 -4.323 -99.200 -91.000 HIS 245 0.900 -22.051 -0.039 11.250 -99.200 -91.000 TRP 264 1.040 -7.155 -3.706 19.889 -99.200 -91.000 TRP6 264 1.020 -9.316 -2.742 19.839 -99.200 -91.000 HIS 274 0.900 -21.461 -10.650 11.430 -99.200 -91.000 HIS 280 0.900 -21.325 -13.166 -4.282 -99.200 -91.000 TYR 285 0.840 -12.859 -19.047 -16.059 -99.200 -91.000 TYR 308 0.840 -13.763 -16.681 -1.460 -99.200 -91.000 HIS 314 0.900 -22.891 -24.491 4.749 -99.200 -91.000 TRP 317 1.040 -16.211 -23.360 8.478 -99.200 -91.000 TRP6 317 1.020 -15.442 -21.766 6.908 -99.200 -91.000 HIS 318 0.900 -17.263 -20.416 11.410 -99.200 -91.000 PHE 324 1.000 -17.781 -9.173 15.271 -99.200 -91.000 HIS 333 0.900 -11.249 -15.242 7.572 -99.200 -91.000 PHE 336 1.000 -7.274 -11.925 4.383 -99.200 -91.000 HIS 338 0.900 -8.292 -23.922 1.455 -99.200 -91.000 HIS 341 0.900 -4.947 -18.523 -7.919 -99.200 -91.000 PHE 342 1.000 -4.936 -17.010 2.841 -99.200 -91.000 PHE 361 1.000 -13.024 1.421 18.591 -99.200 -91.000 PHE 364 1.000 -10.017 10.313 18.627 -99.200 -91.000 HIS 387 0.900 -21.534 -0.020 7.061 -99.200 -91.000 HIS 395 0.900 -12.781 14.238 21.278 -99.200 -91.000