============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 32 1.000 40.917 18.627 19.407 -99.200 -91.000 HIS 40 0.900 50.579 18.738 15.161 -99.200 -91.000 HIS 48 0.900 54.563 26.275 4.400 -99.200 -91.000 TYR 54 0.840 50.164 40.990 -0.364 -99.200 -91.000 TYR 65 0.840 38.675 16.940 23.172 -99.200 -91.000 PHE 80 1.000 30.864 8.676 13.071 -99.200 -91.000 TRP 91 1.040 24.521 12.492 2.803 -99.200 -91.000 TRP6 91 1.020 23.775 14.705 2.540 -99.200 -91.000 HIS 110 0.900 37.549 17.793 26.730 -99.200 -91.000 PHE 119 1.000 29.280 33.730 18.181 -99.200 -91.000 HIS 135 0.900 22.137 26.769 25.277 -99.200 -91.000 HIS 137 0.900 25.549 17.493 27.690 -99.200 -91.000 TYR 159 0.840 25.910 31.083 -8.564 -99.200 -91.000 TYR 160 0.840 21.191 26.560 -7.405 -99.200 -91.000 HIS 175 0.900 15.012 36.547 5.157 -99.200 -91.000 HIS 180 0.900 21.723 22.826 6.533 -99.200 -91.000 TYR 190 0.840 9.106 37.241 4.656 -99.200 -91.000 PHE 200 1.000 13.438 41.661 -11.011 -99.200 -91.000 PHE 215 1.000 11.190 28.556 -3.729 -99.200 -91.000 HIS 229 0.900 33.982 15.977 -4.713 -99.200 -91.000 TYR 233 0.840 35.418 19.845 -0.039 -99.200 -91.000 TYR 247 0.840 31.969 36.940 18.628 -99.200 -91.000 TYR 265 0.840 9.693 32.488 13.437 -99.200 -91.000 HIS 267 0.900 7.577 25.828 17.251 -99.200 -91.000 PHE 271 1.000 20.083 26.576 20.258 -99.200 -91.000 PHE 299 1.000 9.981 28.345 12.465 -99.200 -91.000 HIS 314 0.900 18.697 14.080 24.616 -99.200 -91.000