============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 5 1.000 -1.074 9.119 -21.002 -99.200 -91.000 PHE 8 1.000 0.374 17.528 -24.675 -99.200 -91.000 TYR 10 0.840 2.915 23.029 -14.917 -99.200 -91.000 PHE 11 1.000 -1.290 22.069 -23.223 -99.200 -91.000 TYR 12 0.840 -6.644 23.910 -20.449 -99.200 -91.000 PHE 33 1.000 -12.280 34.338 -13.873 -99.200 -91.000 PHE 37 1.000 -25.102 36.057 -8.280 -99.200 -91.000 TYR 48 0.840 2.634 19.331 -10.594 -99.200 -91.000 PHE 53 1.000 1.138 26.991 -0.542 -99.200 -91.000 TYR 73 0.840 -6.507 33.197 -8.223 -99.200 -91.000 TYR 81 0.840 -5.009 27.632 -22.222 -99.200 -91.000 TYR 95 0.840 9.211 11.577 -32.090 -99.200 -91.000 TYR 108 0.840 -3.662 6.489 -23.692 -99.200 -91.000 TYR 118 0.840 8.261 -2.441 -21.749 -99.200 -91.000 TYR 122 0.840 14.314 5.961 -19.760 -99.200 -91.000 PHE 150 1.000 -1.244 -2.305 -15.475 -99.200 -91.000 PHE 210 1.000 -17.497 -11.929 -15.905 -99.200 -91.000 TYR 224 0.840 -10.931 -0.785 -17.377 -99.200 -91.000 TYR 233 0.840 -7.186 -2.565 -21.376 -99.200 -91.000 TYR 264 0.840 -19.424 -14.057 -53.127 -99.200 -91.000 PHE 266 1.000 -28.149 -11.226 -47.479 -99.200 -91.000 TYR 273 0.840 -25.309 -3.228 -38.842 -99.200 -91.000 TYR 274 0.840 -16.265 -7.945 -34.374 -99.200 -91.000 HIS 285 0.900 -24.495 5.723 -50.018 -99.200 -91.000 PHE 302 1.000 -33.750 2.741 -44.152 -99.200 -91.000 HIS 304 0.900 -36.740 7.700 -35.422 -99.200 -91.000 TYR 312 0.840 -28.276 -10.139 -43.223 -99.200 -91.000 PHE 337 1.000 -24.056 -0.696 -42.956 -99.200 -91.000 PHE 340 1.000 -20.953 5.606 -38.487 -99.200 -91.000 PHE 349 1.000 -21.791 13.532 -19.486 -99.200 -91.000 PHE 350 1.000 -23.918 8.403 -13.105 -99.200 -91.000