============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 5 1.000 -9.663 9.186 -1.682 -99.200 -91.000 PHE 8 1.000 -9.940 8.601 7.783 -99.200 -91.000 TYR 10 0.840 -2.377 16.686 10.740 -99.200 -91.000 PHE 11 1.000 -6.034 8.027 10.991 -99.200 -91.000 TYR 12 0.840 -0.390 5.666 11.096 -99.200 -91.000 PHE 33 1.000 11.923 5.481 17.424 -99.200 -91.000 PHE 37 1.000 21.541 2.085 14.023 -99.200 -91.000 TYR 48 0.840 -0.201 18.769 5.648 -99.200 -91.000 PHE 53 1.000 11.129 23.732 9.866 -99.200 -91.000 TYR 73 0.840 12.032 13.598 15.489 -99.200 -91.000 TYR 81 0.840 -1.288 6.013 15.313 -99.200 -91.000 TYR 95 0.840 -22.732 10.666 6.050 -99.200 -91.000 TYR 108 0.840 -11.357 5.481 -3.813 -99.200 -91.000 TYR 118 0.840 -19.755 16.391 -10.190 -99.200 -91.000 TYR 122 0.840 -18.423 22.224 -1.770 -99.200 -91.000 PHE 150 1.000 -9.539 12.500 -13.837 -99.200 -91.000 PHE 210 1.000 -2.674 -1.209 -25.890 -99.200 -91.000 TYR 224 0.840 -4.762 3.764 -13.818 -99.200 -91.000 TYR 233 0.840 -10.644 4.149 -13.330 -99.200 -91.000 TYR 264 0.840 15.413 -11.535 15.588 -99.200 -91.000 PHE 266 1.000 10.208 -21.100 15.108 -99.200 -91.000 TYR 273 0.840 -1.217 -19.297 11.319 -99.200 -91.000 TYR 274 0.840 -3.978 -11.926 18.921 -99.200 -91.000 HIS 285 0.900 4.642 -17.058 -1.206 -99.200 -91.000 PHE 302 1.000 1.579 -26.703 2.716 -99.200 -91.000 HIS 304 0.900 -3.402 -29.427 3.631 -99.200 -91.000 TYR 312 0.840 5.742 -21.796 15.571 -99.200 -91.000 PHE 337 1.000 1.371 -17.582 7.646 -99.200 -91.000 PHE 340 1.000 -6.042 -14.880 3.923 -99.200 -91.000