============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 14 0.840 19.195 -6.217 35.076 -99.200 -91.000 TYR 15 0.840 20.561 -8.959 26.937 -99.200 -91.000 PHE 38 1.000 21.423 3.115 19.861 -99.200 -91.000 HIS 45 0.900 35.743 -7.313 21.547 -99.200 -91.000 PHE 47 1.000 35.723 -11.109 25.411 -99.200 -91.000 HIS 49 0.900 27.658 -14.371 21.279 -99.200 -91.000 TYR 51 0.840 30.432 -7.144 12.683 -99.200 -91.000 TYR 52 0.840 24.891 0.246 12.360 -99.200 -91.000 TYR 60 0.840 26.488 4.944 8.172 -99.200 -91.000 TYR 68 0.840 38.356 7.919 24.811 -99.200 -91.000 TYR 71 0.840 30.755 3.929 28.858 -99.200 -91.000 TRP 76 1.040 31.908 3.106 23.729 -99.200 -91.000 TRP6 76 1.020 31.329 4.901 22.306 -99.200 -91.000 HIS 89 0.900 9.677 -8.413 22.144 -99.200 -91.000 PHE 108 1.000 31.109 -0.840 25.962 -99.200 -91.000 PHE 109 1.000 31.635 -4.302 22.475 -99.200 -91.000 TRP 115 1.040 25.905 -6.306 27.520 -99.200 -91.000 TRP6 115 1.020 27.661 -4.811 27.012 -99.200 -91.000 TYR 123 0.840 17.960 14.504 31.742 -99.200 -91.000 PHE 136 1.000 16.182 5.474 21.119 -99.200 -91.000 PHE 137 1.000 12.727 8.369 26.786 -99.200 -91.000 HIS 145 0.900 1.819 12.368 18.485 -99.200 -91.000 PHE 150 1.000 14.112 6.002 31.224 -99.200 -91.000 HIS 168 0.900 -0.390 2.306 38.205 -99.200 -91.000 TYR 171 0.840 3.676 1.058 41.355 -99.200 -91.000 TRP 176 1.040 7.052 7.078 49.416 -99.200 -91.000 TRP6 176 1.020 6.543 8.942 50.771 -99.200 -91.000 TYR 177 0.840 7.021 10.215 41.481 -99.200 -91.000 TRP 184 1.040 24.621 16.377 35.972 -99.200 -91.000 TRP6 184 1.020 26.946 16.462 36.362 -99.200 -91.000 TYR 185 0.840 26.907 11.695 35.140 -99.200 -91.000 TYR 186 0.840 17.841 10.002 34.026 -99.200 -91.000 TYR 207 0.840 25.389 10.736 54.177 -99.200 -91.000 TYR 209 0.840 34.049 14.970 47.036 -99.200 -91.000 PHE 228 1.000 34.315 1.132 50.680 -99.200 -91.000 PHE 244 1.000 32.367 -12.325 56.601 -99.200 -91.000 PHE 248 1.000 32.796 -9.795 51.868 -99.200 -91.000 TRP 249 1.040 35.020 -6.587 55.173 -99.200 -91.000 TRP6 249 1.020 32.677 -6.455 55.419 -99.200 -91.000 TRP 257 1.040 28.828 -18.130 54.692 -99.200 -91.000 TRP6 257 1.020 28.649 -15.997 53.691 -99.200 -91.000 TRP 264 1.040 20.482 -14.823 52.958 -99.200 -91.000 TRP6 264 1.020 21.818 -13.707 51.367 -99.200 -91.000 PHE 267 1.000 26.936 -10.369 55.794 -99.200 -91.000 TYR 273 0.840 16.331 7.725 56.214 -99.200 -91.000 PHE 283 1.000 11.867 8.796 48.359 -99.200 -91.000 TYR 292 0.840 24.608 -5.364 52.173 -99.200 -91.000 TYR 307 0.840 26.064 -15.036 48.393 -99.200 -91.000 PHE 309 1.000 30.773 -4.752 51.030 -99.200 -91.000 PHE 328 1.000 14.185 -0.650 46.368 -99.200 -91.000 TYR 329 0.840 7.722 0.469 37.715 -99.200 -91.000 PHE 332 1.000 15.568 6.135 35.780 -99.200 -91.000 PHE 341 1.000 14.481 5.516 43.694 -99.200 -91.000 HIS 347 0.900 8.759 -8.421 47.368 -99.200 -91.000 HIS 349 0.900 10.184 -11.865 49.462 -99.200 -91.000 PHE 352 1.000 13.570 -14.743 60.290 -99.200 -91.000 PHE 361 1.000 11.427 7.944 57.479 -99.200 -91.000 TYR 371 0.840 31.210 18.866 47.243 -99.200 -91.000