============================================================================= 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. TRP 14 1.040 14.796 18.071 14.159 -99.200 -91.000 TRP6 14 1.020 13.434 19.228 15.705 -99.200 -91.000 TRP 35 1.040 19.805 27.817 2.561 -99.200 -91.000 TRP6 35 1.020 21.602 27.567 1.056 -99.200 -91.000 HIS 41 0.900 31.340 11.162 6.473 -99.200 -91.000 PHE 43 1.000 27.138 15.499 0.092 -99.200 -91.000 TRP 49 1.040 29.205 15.809 -8.028 -99.200 -91.000 TRP6 49 1.020 29.397 16.246 -5.717 -99.200 -91.000 HIS 59 0.900 8.198 6.557 11.430 -99.200 -91.000 HIS 64 0.900 6.941 5.710 -1.007 -99.200 -91.000 TYR 82 0.840 35.745 16.565 3.821 -99.200 -91.000 HIS 89 0.900 37.782 22.581 9.118 -99.200 -91.000 HIS 97 0.900 14.751 23.123 -8.835 -99.200 -91.000 HIS 105 0.900 3.177 14.333 10.325 -99.200 -91.000 PHE 116 1.000 21.196 29.322 23.337 -99.200 -91.000 PHE 123 1.000 29.897 24.266 29.194 -99.200 -91.000 PHE 126 1.000 22.103 12.140 29.332 -99.200 -91.000 TRP 132 1.040 15.375 6.293 8.281 -99.200 -91.000 TRP6 132 1.020 15.364 8.615 7.867 -99.200 -91.000 TYR 173 0.840 37.888 24.101 13.317 -99.200 -91.000 PHE 175 1.000 29.470 17.726 19.918 -99.200 -91.000 TYR 179 0.840 25.535 6.277 26.896 -99.200 -91.000 HIS 195 0.900 24.926 16.547 19.747 -99.200 -91.000 HIS 198 0.900 13.636 20.300 24.644 -99.200 -91.000 TYR 199 0.840 18.928 26.569 27.759 -99.200 -91.000 TRP 203 1.040 13.743 19.600 20.781 -99.200 -91.000 TRP6 203 1.020 15.111 17.880 21.628 -99.200 -91.000 TYR 204 0.840 18.033 26.629 20.616 -99.200 -91.000 TRP 211 1.040 35.639 11.801 13.468 -99.200 -91.000 TRP6 211 1.020 37.317 10.759 14.765 -99.200 -91.000 HIS 220 0.900 38.099 3.845 20.576 -99.200 -91.000 PHE 221 1.000 33.199 8.392 25.552 -99.200 -91.000 TYR 224 0.840 27.814 12.754 17.508 -99.200 -91.000 TYR 230 0.840 32.475 24.038 10.912 -99.200 -91.000 TRP 233 1.040 32.019 28.089 5.790 -99.200 -91.000 TRP6 233 1.020 30.944 26.099 5.089 -99.200 -91.000 PHE 252 1.000 35.845 27.236 9.191 -99.200 -91.000