============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 36 0.840 15.603 42.552 41.963 -99.200 -91.000 PHE 39 1.000 17.292 36.962 40.250 -99.200 -91.000 TYR 40 0.840 12.185 40.304 45.884 -99.200 -91.000 PHE 41 1.000 7.056 39.331 44.061 -99.200 -91.000 HIS 48 0.900 2.775 31.804 46.616 -99.200 -91.000 PHE 56 1.000 10.155 44.226 43.912 -99.200 -91.000 TYR 69 0.840 27.006 47.696 38.775 -99.200 -91.000 TYR 71 0.840 28.536 38.449 48.493 -99.200 -91.000 TYR 86 0.840 8.989 40.136 56.105 -99.200 -91.000 TRP 117 1.040 46.907 61.567 48.519 -99.200 -91.000 TRP6 117 1.020 47.834 60.189 50.184 -99.200 -91.000 HIS 126 0.900 44.081 60.969 61.793 -99.200 -91.000 TYR 142 0.840 43.114 43.300 62.371 -99.200 -91.000 TYR 153 0.840 52.792 54.211 62.332 -99.200 -91.000 TYR 157 0.840 39.010 58.302 64.110 -99.200 -91.000 TYR 160 0.840 31.294 47.383 62.264 -99.200 -91.000 PHE 164 1.000 22.629 59.043 60.030 -99.200 -91.000 PHE 197 1.000 17.258 38.940 48.218 -99.200 -91.000 HIS 204 0.900 5.529 42.281 57.589 -99.200 -91.000 PHE 214 1.000 18.054 50.407 51.199 -99.200 -91.000 PHE 236 1.000 33.566 68.468 44.918 -99.200 -91.000 TRP 240 1.040 28.406 75.495 59.424 -99.200 -91.000 TRP6 240 1.020 26.312 74.489 58.999 -99.200 -91.000 HIS 256 0.900 14.220 47.577 64.914 -99.200 -91.000 PHE 264 1.000 13.932 50.379 54.487 -99.200 -91.000 HIS 265 0.900 10.323 46.962 60.371 -99.200 -91.000 PHE 286 1.000 24.741 76.771 51.372 -99.200 -91.000 TYR 294 0.840 18.490 78.039 49.710 -99.200 -91.000 PHE 298 1.000 29.501 72.271 44.663 -99.200 -91.000 TRP 299 1.040 21.145 71.902 45.460 -99.200 -91.000 TRP6 299 1.020 19.746 71.183 47.215 -99.200 -91.000 HIS 302 0.900 21.168 58.302 50.608 -99.200 -91.000 TYR 333 0.840 27.176 53.361 40.062 -99.200 -91.000 PHE 343 1.000 29.740 54.515 43.978 -99.200 -91.000 TRP 366 1.040 30.528 79.599 48.473 -99.200 -91.000 TRP6 366 1.020 31.723 78.769 50.337 -99.200 -91.000 PHE 370 1.000 20.955 69.338 52.367 -99.200 -91.000 PHE 372 1.000 18.175 64.024 52.455 -99.200 -91.000