============================================================================= 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 7 1.000 -0.490 17.760 40.352 -99.200 -91.000 PHE 8 1.000 -8.499 23.261 45.040 -99.200 -91.000 PHE 18 1.000 2.189 35.531 47.582 -99.200 -91.000 PHE 42 1.000 -13.574 32.127 53.488 -99.200 -91.000 PHE 50 1.000 -16.732 41.002 45.280 -99.200 -91.000 HIS 62 0.900 -5.596 29.766 27.947 -99.200 -91.000 HIS 92 0.900 -12.508 24.035 49.273 -99.200 -91.000 PHE 94 1.000 -14.635 26.145 55.317 -99.200 -91.000 HIS 101 0.900 -12.552 21.420 64.372 -99.200 -91.000 TYR 103 0.840 -15.344 21.268 73.330 -99.200 -91.000 HIS 117 0.900 -30.349 25.570 52.795 -99.200 -91.000 HIS 118 0.900 -25.912 26.359 54.207 -99.200 -91.000 TYR 121 0.840 -28.139 29.546 48.297 -99.200 -91.000 PHE 126 1.000 -20.256 28.982 42.107 -99.200 -91.000 PHE 131 1.000 -18.605 18.884 52.686 -99.200 -91.000 PHE 143 1.000 -21.404 13.261 61.123 -99.200 -91.000 TYR 167 0.840 -0.244 16.417 64.904 -99.200 -91.000 PHE 173 1.000 -5.291 11.461 53.798 -99.200 -91.000 PHE 177 1.000 -8.611 9.627 50.144 -99.200 -91.000 PHE 187 1.000 -13.660 6.442 45.847 -99.200 -91.000 PHE 192 1.000 -14.499 10.437 46.898 -99.200 -91.000 HIS 195 0.900 -5.256 21.618 51.508 -99.200 -91.000 HIS 197 0.900 -2.998 21.313 56.230 -99.200 -91.000 HIS 241 0.900 8.377 12.186 34.298 -99.200 -91.000 PHE 246 1.000 3.633 1.900 43.978 -99.200 -91.000 TYR 247 0.840 3.126 6.731 43.295 -99.200 -91.000 PHE 258 1.000 5.652 21.595 39.559 -99.200 -91.000