============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 2 0.840 27.936 31.164 6.315 -99.200 -91.000 PHE 25 1.000 24.329 42.099 15.156 -99.200 -91.000 HIS 26 0.900 33.404 42.072 13.717 -99.200 -91.000 TRP 27 1.040 28.845 37.594 18.899 -99.200 -91.000 TRP6 27 1.020 27.309 36.793 20.517 -99.200 -91.000 TYR 34 0.840 32.249 33.958 23.272 -99.200 -91.000 TRP 44 1.040 33.809 19.707 6.910 -99.200 -91.000 TRP6 44 1.020 35.109 20.365 5.048 -99.200 -91.000 HIS 46 0.900 40.815 15.706 13.868 -99.200 -91.000 HIS 70 0.900 29.629 21.803 8.045 -99.200 -91.000 TYR 90 0.840 34.224 24.830 7.400 -99.200 -91.000 PHE 97 1.000 39.179 28.684 18.177 -99.200 -91.000 TRP 101 1.040 39.491 33.640 20.536 -99.200 -91.000 TRP6 101 1.020 38.430 33.519 22.641 -99.200 -91.000 PHE 104 1.000 41.433 35.853 26.513 -99.200 -91.000 HIS 105 0.900 47.151 32.381 20.659 -99.200 -91.000 TYR 113 0.840 46.373 33.138 8.362 -99.200 -91.000 PHE 127 1.000 36.296 24.229 0.816 -99.200 -91.000 TYR 135 0.840 32.959 14.710 3.129 -99.200 -91.000 PHE 139 1.000 28.029 11.674 0.949 -99.200 -91.000 HIS 146 0.900 33.982 7.059 -8.441 -99.200 -91.000 TYR 150 0.840 39.961 7.702 -9.137 -99.200 -91.000 TRP 154 1.040 43.141 9.584 -6.538 -99.200 -91.000 TRP6 154 1.020 44.849 9.059 -5.021 -99.200 -91.000 TRP 159 1.040 49.934 21.167 -5.863 -99.200 -91.000 TRP6 159 1.020 48.264 21.815 -4.316 -99.200 -91.000 TYR 169 0.840 55.950 20.051 9.319 -99.200 -91.000 HIS 173 0.900 59.663 25.949 11.866 -99.200 -91.000 TYR 182 0.840 46.013 14.986 11.457 -99.200 -91.000 PHE 188 1.000 42.403 8.857 0.445 -99.200 -91.000 TYR 192 0.840 37.459 11.108 3.846 -99.200 -91.000 HIS 193 0.900 41.774 2.519 -0.451 -99.200 -91.000 HIS 195 0.900 31.074 5.135 3.699 -99.200 -91.000 PHE 196 1.000 32.690 9.747 1.703 -99.200 -91.000 TRP 209 1.040 53.025 5.898 5.451 -99.200 -91.000 TRP6 209 1.020 51.278 5.909 7.071 -99.200 -91.000 TYR 211 0.840 51.681 16.980 5.518 -99.200 -91.000 PHE 216 1.000 48.205 9.427 15.037 -99.200 -91.000 PHE 221 1.000 48.611 18.576 13.812 -99.200 -91.000 PHE 227 1.000 43.172 6.713 13.472 -99.200 -91.000 HIS 233 0.900 29.232 10.613 11.032 -99.200 -91.000 TYR 234 0.840 33.131 9.959 7.414 -99.200 -91.000 TYR 235 0.840 33.471 2.151 6.419 -99.200 -91.000 HIS 238 0.900 28.131 9.151 5.500 -99.200 -91.000 PHE 256 1.000 47.517 7.078 10.728 -99.200 -91.000 HIS 260 0.900 58.653 11.947 11.091 -99.200 -91.000 PHE 270 1.000 54.459 22.585 17.424 -99.200 -91.000 PHE 292 1.000 48.461 3.757 16.582 -99.200 -91.000