============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 4 1.000 34.339 4.058 141.123 -99.200 -91.000 PHE 5 1.000 25.683 6.310 139.616 -99.200 -91.000 PHE 10 1.000 27.961 19.889 137.457 -99.200 -91.000 TYR 45 0.840 23.395 26.848 133.464 -99.200 -91.000 TYR 48 0.840 25.880 24.715 126.790 -99.200 -91.000 TYR 66 0.840 4.567 18.270 142.630 -99.200 -91.000 PHE 73 1.000 1.065 20.272 140.568 -99.200 -91.000 TYR 89 0.840 21.009 7.597 136.450 -99.200 -91.000 HIS 94 0.900 21.822 16.947 148.767 -99.200 -91.000 TYR 100 0.840 19.343 24.800 153.663 -99.200 -91.000 PHE 101 1.000 14.460 24.740 149.488 -99.200 -91.000 HIS 102 0.900 10.728 23.349 155.927 -99.200 -91.000 PHE 107 1.000 7.229 16.620 148.088 -99.200 -91.000 PHE 114 1.000 5.246 10.964 137.831 -99.200 -91.000 PHE 156 1.000 15.332 0.396 146.469 -99.200 -91.000 TYR 163 0.840 25.396 7.234 155.649 -99.200 -91.000 HIS 183 0.900 28.370 3.007 151.655 -99.200 -91.000 PHE 189 1.000 16.020 -1.718 156.579 -99.200 -91.000 TYR 206 0.840 31.874 9.037 152.071 -99.200 -91.000 PHE 218 1.000 36.063 7.010 151.114 -99.200 -91.000 PHE 227 1.000 34.070 7.919 146.185 -99.200 -91.000 PHE 238 1.000 32.879 14.264 138.506 -99.200 -91.000