============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 1 0.840 42.060 11.039 34.132 -99.200 -91.000 TRP 6 1.040 29.512 2.631 21.591 -99.200 -91.000 TRP6 6 1.020 29.333 4.954 21.184 -99.200 -91.000 TRP 20 1.040 35.653 2.926 17.354 -99.200 -91.000 TRP6 20 1.020 33.622 3.610 18.328 -99.200 -91.000 TYR 57 0.840 15.816 -0.560 23.146 -99.200 -91.000 TYR 59 0.840 8.809 7.302 27.205 -99.200 -91.000 HIS 79 0.900 17.858 21.060 5.177 -99.200 -91.000 TYR 92 0.840 13.695 4.966 11.893 -99.200 -91.000 TRP 107 1.040 -3.914 -1.491 10.136 -99.200 -91.000 TRP6 107 1.020 -1.707 -1.624 10.978 -99.200 -91.000 HIS 117 0.900 5.829 -7.404 16.341 -99.200 -91.000 TRP 126 1.040 6.093 -3.504 21.631 -99.200 -91.000 TRP6 126 1.020 5.456 -5.776 21.409 -99.200 -91.000 PHE 142 1.000 1.046 -5.457 24.496 -99.200 -91.000 PHE 145 1.000 -4.455 -7.326 16.160 -99.200 -91.000 PHE 146 1.000 0.312 -9.146 14.783 -99.200 -91.000 TYR 182 0.840 13.780 -15.547 12.128 -99.200 -91.000 TYR 183 0.840 18.102 -6.904 18.285 -99.200 -91.000 TYR 185 0.840 15.455 -0.584 12.088 -99.200 -91.000 PHE 189 1.000 12.745 -7.672 3.859 -99.200 -91.000 PHE 201 1.000 3.758 -4.846 12.345 -99.200 -91.000 TRP 208 1.040 13.497 0.879 -1.047 -99.200 -91.000 TRP6 208 1.020 13.450 1.340 -3.351 -99.200 -91.000 TRP 219 1.040 19.190 -13.277 5.188 -99.200 -91.000 TRP6 219 1.020 17.782 -11.404 4.976 -99.200 -91.000 PHE 228 1.000 9.799 -8.904 0.139 -99.200 -91.000 HIS 247 0.900 4.502 7.640 5.811 -99.200 -91.000 HIS 254 0.900 17.870 3.202 15.551 -99.200 -91.000 HIS 265 0.900 35.407 12.598 27.643 -99.200 -91.000 HIS 272 0.900 40.274 12.822 16.411 -99.200 -91.000 PHE 277 1.000 38.919 4.854 13.146 -99.200 -91.000 PHE 288 1.000 36.263 0.013 12.924 -99.200 -91.000 PHE 291 1.000 29.158 6.144 10.997 -99.200 -91.000 PHE 300 1.000 27.645 4.360 15.798 -99.200 -91.000 TYR 316 0.840 12.853 11.970 27.956 -99.200 -91.000 TYR 319 0.840 16.705 12.843 18.749 -99.200 -91.000 TYR 324 0.840 8.380 7.224 19.363 -99.200 -91.000 PHE 341 1.000 16.304 0.232 33.398 -99.200 -91.000