============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. TYR 23 0.840 11.051-128.604 -4.607 -99.200 -91.000 PHE 28 1.000 6.916-119.762 -6.046 -99.200 -91.000 TYR 35 0.840 -0.602-117.639 -11.717 -99.200 -91.000 TYR 37 0.840 4.776-123.872 -3.023 -99.200 -91.000 TYR 40 0.840 1.444-129.324 -6.758 -99.200 -91.000 HIS 44 0.900 -0.818-130.565 2.898 -99.200 -91.000 TYR 45 0.840 0.345-125.940 3.404 -99.200 -91.000 PHE 60 1.000 -4.509-121.143 -8.456 -99.200 -91.000 TYR 82 0.840 -11.435-119.301 -0.907 -99.200 -91.000 TYR 87 0.840 4.073-115.922 5.888 -99.200 -91.000 TYR 104 0.840 -12.736-113.982 12.322 -99.200 -91.000 TYR 113 0.840 -11.023-118.343 4.807 -99.200 -91.000 PHE 115 1.000 -1.857-117.335 10.529 -99.200 -91.000 PHE 116 1.000 1.019-121.882 3.321 -99.200 -91.000 PHE 124 1.000 -9.841-110.402 -3.650 -99.200 -91.000 TYR 128 0.840 -9.459 -96.777 -3.831 -99.200 -91.000 PHE 140 1.000 -9.716 -91.149 1.129 -99.200 -91.000 HIS 152 0.900 -3.874 -96.659 18.560 -99.200 -91.000 TYR 161 0.840 0.217-106.250 27.142 -99.200 -91.000 PHE 177 1.000 5.299-107.102 22.861 -99.200 -91.000 TRP 179 1.040 10.441 -97.967 24.230 -99.200 -91.000 TRP6 179 1.020 11.024 -96.049 22.963 -99.200 -91.000 TRP 183 1.040 17.434-100.285 23.088 -99.200 -91.000 TRP6 183 1.020 19.490 -99.119 22.768 -99.200 -91.000 TYR 185 0.840 14.203-103.751 13.759 -99.200 -91.000 PHE 186 1.000 22.932 -99.664 18.526 -99.200 -91.000 HIS 187 0.900 22.585-103.745 21.248 -99.200 -91.000 PHE 199 1.000 37.946-100.884 -0.874 -99.200 -91.000 PHE 211 1.000 25.891 -99.061 14.064 -99.200 -91.000 HIS 236 0.900 -0.992-101.528 10.347 -99.200 -91.000 PHE 255 1.000 -6.215 -98.542 9.828 -99.200 -91.000 PHE 258 1.000 -3.946-105.229 11.215 -99.200 -91.000 TYR 260 0.840 6.966-104.936 9.852 -99.200 -91.000 TYR 268 0.840 6.587 -96.539 16.290 -99.200 -91.000 HIS 273 0.900 -1.565 -92.438 8.915 -99.200 -91.000 PHE 274 1.000 -0.322 -87.500 12.126 -99.200 -91.000 TYR 277 0.840 -0.249 -87.506 6.725 -99.200 -91.000 PHE 280 1.000 7.791 -97.579 1.051 -99.200 -91.000 TRP 284 1.040 12.176 -86.302 5.383 -99.200 -91.000 TRP6 284 1.020 11.023 -88.322 5.829 -99.200 -91.000 TYR 294 0.840 -7.017 -78.812 17.232 -99.200 -91.000 HIS 295 0.900 -9.613 -82.539 9.899 -99.200 -91.000 PHE 296 1.000 -4.810 -89.539 12.440 -99.200 -91.000 HIS 299 0.900 -12.439 -85.816 12.449 -99.200 -91.000 TYR 300 0.840 -6.216 -91.920 18.678 -99.200 -91.000 PHE 319 1.000 6.260 -91.802 21.275 -99.200 -91.000 TYR 320 0.840 6.034 -86.337 13.613 -99.200 -91.000 HIS 324 0.900 12.011 -89.808 10.483 -99.200 -91.000 TRP 327 1.040 9.291 -97.808 9.980 -99.200 -91.000 TRP6 327 1.020 8.749-100.046 9.411 -99.200 -91.000 TRP 330 1.040 12.096-103.658 8.621 -99.200 -91.000 TRP6 330 1.020 11.663-102.975 6.400 -99.200 -91.000 HIS 337 0.900 22.918-110.978 6.399 -99.200 -91.000 PHE 341 1.000 12.050-100.267 -0.459 -99.200 -91.000 PHE 343 1.000 14.754-103.788 1.637 -99.200 -91.000 TYR 346 0.840 12.390 -96.215 3.491 -99.200 -91.000 PHE 359 1.000 10.854 -85.443 10.227 -99.200 -91.000