============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 1 0.900 -35.495 -6.610 -31.486 -99.200 -91.000 PHE 6 1.000 -36.093 2.122 -46.484 -99.200 -91.000 PHE 9 1.000 -35.205 11.096 -49.057 -99.200 -91.000 TYR 11 0.840 -44.802 11.988 -54.866 -99.200 -91.000 PHE 12 1.000 -35.429 13.228 -53.751 -99.200 -91.000 TYR 13 0.840 -35.216 10.612 -59.634 -99.200 -91.000 PHE 34 1.000 -38.909 13.885 -72.765 -99.200 -91.000 PHE 38 1.000 -39.592 7.735 -81.191 -99.200 -91.000 TYR 49 0.840 -48.078 7.117 -54.628 -99.200 -91.000 PHE 54 1.000 -55.876 8.868 -63.152 -99.200 -91.000 TYR 74 0.840 -46.358 12.736 -70.050 -99.200 -91.000 TYR 82 0.840 -34.781 15.108 -60.291 -99.200 -91.000 TYR 96 0.840 -33.494 13.510 -36.475 -99.200 -91.000 TYR 109 0.840 -32.019 0.144 -45.579 -99.200 -91.000 TYR 119 0.840 -40.165 -2.201 -32.643 -99.200 -91.000 TYR 123 0.840 -46.098 6.436 -34.709 -99.200 -91.000 PHE 151 1.000 -39.162 -9.370 -41.469 -99.200 -91.000 PHE 211 1.000 -29.160 -24.631 -47.908 -99.200 -91.000 TYR 225 0.840 -32.719 -11.925 -48.570 -99.200 -91.000 TYR 234 0.840 -31.497 -9.839 -42.900 -99.200 -91.000 TYR 265 0.840 -24.748 8.167 -80.305 -99.200 -91.000 PHE 267 1.000 -14.220 7.817 -78.274 -99.200 -91.000 TYR 274 0.840 -10.993 9.174 -65.944 -99.200 -91.000 TYR 275 0.840 -18.497 16.192 -63.589 -99.200 -91.000 HIS 286 0.900 -16.350 -5.141 -66.790 -99.200 -91.000 PHE 303 1.000 -6.186 -1.896 -68.793 -99.200 -91.000 HIS 305 0.900 -1.885 0.386 -65.694 -99.200 -91.000 TYR 313 0.840 -11.611 9.427 -74.756 -99.200 -91.000 PHE 338 1.000 -14.371 4.333 -66.461 -99.200 -91.000 PHE 341 1.000 -14.621 3.358 -58.407 -99.200 -91.000