============================================================================= 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 -8.702 11.742 -52.967 -99.200 -91.000 PHE 8 1.000 -9.455 11.265 -62.390 -99.200 -91.000 TYR 10 0.840 0.546 15.604 -65.703 -99.200 -91.000 PHE 11 1.000 -8.888 15.040 -65.692 -99.200 -91.000 TYR 12 0.840 -9.198 21.078 -66.083 -99.200 -91.000 PHE 33 1.000 -5.416 32.039 -73.344 -99.200 -91.000 PHE 37 1.000 -4.928 42.279 -70.166 -99.200 -91.000 TYR 48 0.840 3.302 17.094 -60.786 -99.200 -91.000 PHE 53 1.000 11.835 25.548 -65.166 -99.200 -91.000 TYR 73 0.840 2.217 29.931 -71.837 -99.200 -91.000 TYR 81 0.840 -9.366 19.920 -70.215 -99.200 -91.000 TYR 95 0.840 -11.813 -1.542 -60.257 -99.200 -91.000 TYR 108 0.840 -12.663 11.399 -50.654 -99.200 -91.000 TYR 118 0.840 -5.167 -0.115 -44.236 -99.200 -91.000 TYR 122 0.840 0.599 -1.228 -52.765 -99.200 -91.000 PHE 150 1.000 -5.731 10.568 -40.505 -99.200 -91.000 PHE 210 1.000 -14.950 22.279 -28.873 -99.200 -91.000 TYR 224 0.840 -11.748 18.471 -40.713 -99.200 -91.000 TYR 233 0.840 -13.476 12.829 -41.171 -99.200 -91.000 TYR 264 0.840 -19.836 41.781 -70.811 -99.200 -91.000 PHE 266 1.000 -30.448 40.258 -69.895 -99.200 -91.000 TYR 273 0.840 -33.531 27.928 -66.924 -99.200 -91.000 TYR 274 0.840 -26.685 22.910 -72.846 -99.200 -91.000 HIS 285 0.900 -28.363 33.586 -53.961 -99.200 -91.000 PHE 302 1.000 -38.647 34.125 -57.641 -99.200 -91.000 HIS 304 0.900 -45.304 28.211 -56.678 -99.200 -91.000 TYR 312 0.840 -33.012 35.975 -70.341 -99.200 -91.000 PHE 337 1.000 -30.415 30.273 -62.806 -99.200 -91.000 PHE 340 1.000 -30.328 22.899 -58.628 -99.200 -91.000