============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 20 0.840 0.006 41.074 26.810 -99.200 -91.000 HIS 22 0.900 5.462 42.039 36.410 -99.200 -91.000 TYR 24 0.840 4.718 32.474 29.974 -99.200 -91.000 TYR 25 0.840 9.059 34.329 30.484 -99.200 -91.000 TYR 35 0.840 -4.734 33.997 20.320 -99.200 -91.000 TYR 37 0.840 5.236 37.221 24.310 -99.200 -91.000 TYR 41 0.840 9.149 37.784 20.117 -99.200 -91.000 PHE 51 1.000 11.632 51.104 9.338 -99.200 -91.000 PHE 72 1.000 31.571 35.057 31.967 -99.200 -91.000 HIS 77 0.900 29.497 41.407 44.062 -99.200 -91.000 TYR 82 0.840 29.339 40.363 55.322 -99.200 -91.000 PHE 88 1.000 25.048 21.848 59.268 -99.200 -91.000 PHE 94 1.000 13.580 25.714 69.294 -99.200 -91.000 PHE 96 1.000 19.586 32.854 64.305 -99.200 -91.000 TYR 110 0.840 14.171 34.762 64.705 -99.200 -91.000 TYR 125 0.840 17.391 46.330 37.462 -99.200 -91.000 PHE 130 1.000 20.751 43.554 34.050 -99.200 -91.000 TYR 172 0.840 14.784 28.842 40.483 -99.200 -91.000 PHE 178 1.000 19.568 18.536 37.238 -99.200 -91.000 PHE 193 1.000 25.594 21.482 33.710 -99.200 -91.000 PHE 220 1.000 11.589 31.762 43.391 -99.200 -91.000 TYR 222 0.840 18.310 35.980 48.514 -99.200 -91.000 PHE 227 1.000 18.247 46.873 52.659 -99.200 -91.000 PHE 236 1.000 5.792 39.143 55.362 -99.200 -91.000 PHE 247 1.000 14.248 43.707 40.739 -99.200 -91.000 TRP 263 1.040 11.318 22.344 64.757 -99.200 -91.000 TRP6 263 1.020 13.423 22.108 63.700 -99.200 -91.000 TYR 265 0.840 8.781 28.719 56.369 -99.200 -91.000 TYR 269 0.840 6.932 25.960 52.894 -99.200 -91.000 HIS 270 0.900 12.657 17.493 56.116 -99.200 -91.000 TYR 278 0.840 10.983 26.534 44.322 -99.200 -91.000 PHE 290 1.000 15.501 45.609 56.155 -99.200 -91.000 PHE 298 1.000 26.560 42.297 57.975 -99.200 -91.000 TRP 305 1.040 21.950 40.686 59.933 -99.200 -91.000 TRP6 305 1.020 20.947 40.168 57.850 -99.200 -91.000 TYR 309 0.840 17.088 22.512 59.759 -99.200 -91.000 PHE 311 1.000 14.972 21.017 54.277 -99.200 -91.000