============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 15 0.840 15.823 2.995 20.144 -99.200 -91.000 PHE 18 1.000 7.139 -7.427 27.467 -99.200 -91.000 TYR 26 0.840 -2.788 -8.207 34.460 -99.200 -91.000 PHE 31 1.000 4.272 -3.354 25.815 -99.200 -91.000 TYR 34 0.840 12.981 8.847 22.240 -99.200 -91.000 HIS 45 0.900 1.535 17.363 23.107 -99.200 -91.000 PHE 48 1.000 -2.911 8.771 19.413 -99.200 -91.000 TYR 50 0.840 -1.385 4.845 23.896 -99.200 -91.000 TYR 60 0.840 13.340 -3.163 14.026 -99.200 -91.000 TRP 70 1.040 6.872 -4.311 1.350 -99.200 -91.000 TRP6 70 1.020 8.813 -3.187 2.165 -99.200 -91.000 HIS 80 0.900 -5.446 0.535 6.078 -99.200 -91.000 TYR 93 0.840 13.276 5.057 -3.523 -99.200 -91.000 PHE 101 1.000 8.709 5.358 7.403 -99.200 -91.000 PHE 105 1.000 10.991 8.648 16.638 -99.200 -91.000 TYR 114 0.840 35.851 -6.514 15.948 -99.200 -91.000 TYR 134 0.840 31.468 -8.343 6.775 -99.200 -91.000 PHE 145 1.000 23.737 1.548 3.025 -99.200 -91.000 PHE 146 1.000 26.021 -2.921 4.754 -99.200 -91.000 TYR 154 0.840 29.191 1.114 2.231 -99.200 -91.000 TRP 158 1.040 23.384 -8.476 -0.282 -99.200 -91.000 TRP6 158 1.020 22.231 -8.963 1.726 -99.200 -91.000 PHE 160 1.000 31.531 -12.652 5.312 -99.200 -91.000 TYR 185 0.840 28.414 -10.975 13.990 -99.200 -91.000 PHE 187 1.000 24.221 -6.580 14.936 -99.200 -91.000 PHE 196 1.000 20.811 1.621 26.464 -99.200 -91.000 TYR 216 0.840 15.673 4.995 14.778 -99.200 -91.000 TYR 226 0.840 -4.807 9.248 13.537 -99.200 -91.000 HIS 244 0.900 18.875 17.482 25.180 -99.200 -91.000 TRP 250 1.040 13.349 6.660 28.180 -99.200 -91.000 TRP6 250 1.020 12.868 4.786 29.516 -99.200 -91.000 TRP 251 1.040 20.555 6.526 23.981 -99.200 -91.000 TRP6 251 1.020 18.302 6.482 23.314 -99.200 -91.000