============================================================================= 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 6 0.840 8.733 -1.692 17.582 -99.200 -91.000 TYR 15 0.840 10.586 -7.145 24.813 -99.200 -91.000 PHE 17 1.000 5.259 -6.380 29.197 -99.200 -91.000 TYR 37 0.840 2.372 14.435 36.179 -99.200 -91.000 TYR 45 0.840 1.144 7.519 24.783 -99.200 -91.000 PHE 46 1.000 -1.782 6.964 30.072 -99.200 -91.000 TYR 98 0.840 7.099 8.857 45.494 -99.200 -91.000 PHE 99 1.000 7.663 15.575 39.413 -99.200 -91.000 PHE 107 1.000 18.847 9.062 41.708 -99.200 -91.000 HIS 116 0.900 11.673 3.324 54.095 -99.200 -91.000 HIS 120 0.900 1.048 8.630 47.407 -99.200 -91.000 TRP 129 1.040 15.640 11.013 36.342 -99.200 -91.000 TRP6 129 1.020 16.150 13.206 35.592 -99.200 -91.000 TRP 136 1.040 26.434 8.400 41.066 -99.200 -91.000 TRP6 136 1.020 24.455 9.354 41.908 -99.200 -91.000 PHE 148 1.000 18.769 1.956 44.907 -99.200 -91.000 TYR 176 0.840 36.307 -0.315 28.043 -99.200 -91.000 HIS 177 0.900 34.730 5.034 33.970 -99.200 -91.000 PHE 180 1.000 24.468 3.722 43.031 -99.200 -91.000 TYR 186 0.840 21.043 -5.480 48.236 -99.200 -91.000 TRP 208 1.040 20.622 2.170 21.529 -99.200 -91.000 TRP6 208 1.020 20.489 3.472 23.502 -99.200 -91.000 PHE 225 1.000 27.533 -1.435 44.674 -99.200 -91.000 TRP 230 1.040 22.125 -12.116 43.765 -99.200 -91.000 TRP6 230 1.020 22.198 -10.847 41.751 -99.200 -91.000 TYR 263 0.840 9.742 1.990 24.085 -99.200 -91.000 PHE 284 1.000 11.937 -5.273 30.640 -99.200 -91.000 TYR 301 0.840 17.456 -8.549 45.488 -99.200 -91.000 TYR 307 0.840 21.338 -12.718 37.233 -99.200 -91.000 PHE 314 1.000 15.243 -13.860 31.878 -99.200 -91.000 HIS 315 0.900 15.052 -13.041 21.721 -99.200 -91.000 TYR 331 0.840 32.782 -4.800 29.722 -99.200 -91.000 TRP 337 1.040 24.402 -11.414 32.947 -99.200 -91.000 TRP6 337 1.020 26.437 -10.209 32.774 -99.200 -91.000