============================================================================= 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 3 1.000 47.079 68.631 74.643 -99.200 -91.000 PHE 6 1.000 43.021 69.939 70.294 -99.200 -91.000 PHE 15 1.000 44.505 56.503 76.701 -99.200 -91.000 PHE 18 1.000 49.390 52.446 70.385 -99.200 -91.000 TYR 28 0.840 51.787 57.193 77.131 -99.200 -91.000 PHE 29 1.000 52.993 56.522 68.596 -99.200 -91.000 PHE 30 1.000 50.739 63.959 72.567 -99.200 -91.000 PHE 35 1.000 46.711 67.972 68.209 -99.200 -91.000 TYR 47 0.840 44.535 72.881 75.209 -99.200 -91.000 TYR 48 0.840 53.384 73.801 72.314 -99.200 -91.000 TYR 59 0.840 59.519 84.323 76.725 -99.200 -91.000 PHE 63 1.000 65.871 78.844 68.307 -99.200 -91.000 TYR 67 0.840 63.169 71.274 58.202 -99.200 -91.000 TYR 84 0.840 45.682 83.965 75.451 -99.200 -91.000 TYR 90 0.840 58.169 85.858 64.290 -99.200 -91.000 PHE 92 1.000 60.172 81.230 62.743 -99.200 -91.000 PHE 99 1.000 70.633 81.577 65.346 -99.200 -91.000 PHE 122 1.000 68.727 72.433 75.727 -99.200 -91.000 TYR 123 0.840 74.082 68.946 74.915 -99.200 -91.000 TYR 126 0.840 74.479 75.336 75.795 -99.200 -91.000 PHE 164 1.000 72.427 72.291 78.871 -99.200 -91.000 PHE 174 1.000 53.002 57.300 82.877 -99.200 -91.000 PHE 178 1.000 48.821 55.748 86.497 -99.200 -91.000 TYR 180 0.840 41.061 60.619 79.836 -99.200 -91.000 PHE 193 1.000 48.718 54.615 80.678 -99.200 -91.000 TYR 196 0.840 56.101 52.327 79.190 -99.200 -91.000 TYR 200 0.840 60.458 50.283 79.925 -99.200 -91.000