============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 8 0.840 41.366 142.679 -67.987 -99.200 -91.000 PHE 14 1.000 31.501 129.858 -73.040 -99.200 -91.000 PHE 24 1.000 47.442 133.565 -79.471 -99.200 -91.000 PHE 25 1.000 48.618 136.188 -74.735 -99.200 -91.000 PHE 53 1.000 39.017 138.685 -64.912 -99.200 -91.000 PHE 55 1.000 44.471 140.090 -63.868 -99.200 -91.000 PHE 58 1.000 53.899 138.174 -69.545 -99.200 -91.000 PHE 70 1.000 52.455 139.577 -79.040 -99.200 -91.000 PHE 75 1.000 43.749 132.357 -78.531 -99.200 -91.000 HIS 86 0.900 41.500 148.325 -63.161 -99.200 -91.000 TYR 88 0.840 52.303 148.742 -63.710 -99.200 -91.000 HIS 95 0.900 58.744 156.713 -65.359 -99.200 -91.000 PHE 98 1.000 74.549 160.418 -63.555 -99.200 -91.000 TYR 105 0.840 80.449 174.647 -54.518 -99.200 -91.000 PHE 118 1.000 62.578 171.886 -63.768 -99.200 -91.000 PHE 124 1.000 68.764 164.148 -53.669 -99.200 -91.000 TYR 138 0.840 77.839 159.593 -58.721 -99.200 -91.000 PHE 140 1.000 72.374 157.686 -59.382 -99.200 -91.000 TYR 143 0.840 61.325 165.714 -60.664 -99.200 -91.000