============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 27 0.840 52.933 43.332 16.221 -99.200 -91.000 PHE 29 1.000 57.431 46.155 20.506 -99.200 -91.000 TYR 32 0.840 54.403 45.161 11.239 -99.200 -91.000 TRP 33 1.040 57.518 53.391 11.866 -99.200 -91.000 TRP6 33 1.020 58.836 55.056 12.906 -99.200 -91.000 TRP 36 1.040 53.084 55.569 22.261 -99.200 -91.000 TRP6 36 1.020 52.197 54.370 24.097 -99.200 -91.000 HIS 43 0.900 39.868 69.340 24.892 -99.200 -91.000 TRP 47 1.040 50.622 60.792 15.728 -99.200 -91.000 TRP6 47 1.020 52.476 61.934 14.811 -99.200 -91.000 PHE 60 1.000 58.985 62.282 20.977 -99.200 -91.000 PHE 64 1.000 50.604 65.744 22.879 -99.200 -91.000 PHE 70 1.000 56.365 58.656 21.782 -99.200 -91.000 TYR 80 0.840 57.701 49.884 29.044 -99.200 -91.000 TYR 93 0.840 47.355 60.183 27.642 -99.200 -91.000 TYR 94 0.840 42.357 54.969 23.189 -99.200 -91.000 TRP 98 1.040 51.530 53.587 9.544 -99.200 -91.000 TRP6 98 1.020 49.898 55.293 9.509 -99.200 -91.000 TYR 102 0.840 45.258 49.366 7.250 -99.200 -91.000 TYR 103 0.840 50.495 53.340 1.860 -99.200 -91.000 TYR 107 0.840 45.185 43.603 14.512 -99.200 -91.000 TRP 108 1.040 43.558 51.803 16.800 -99.200 -91.000 TRP6 108 1.020 43.516 54.068 17.488 -99.200 -91.000 TYR 127 0.840 21.197 63.086 52.623 -99.200 -91.000 TYR 146 0.840 30.013 58.771 44.956 -99.200 -91.000 PHE 147 1.000 37.883 62.338 43.745 -99.200 -91.000 TRP 155 1.040 17.737 49.212 45.784 -99.200 -91.000 TRP6 155 1.020 16.607 50.913 46.979 -99.200 -91.000 HIS 165 0.900 15.832 50.750 35.863 -99.200 -91.000 PHE 167 1.000 18.386 55.974 37.460 -99.200 -91.000 TYR 176 0.840 32.937 61.344 40.504 -99.200 -91.000 TRP 189 1.040 7.989 50.983 50.773 -99.200 -91.000 TRP6 189 1.020 7.030 53.119 50.438 -99.200 -91.000 HIS 200 0.900 33.469 56.367 48.601 -99.200 -91.000