============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 33 1.000 -12.162 27.451 4.841 -99.200 -91.000 HIS 49 0.900 -0.589 15.082 18.392 -99.200 -91.000 TYR 55 0.840 -5.237 -0.640 16.579 -99.200 -91.000 TYR 66 0.840 -13.891 29.622 1.348 -99.200 -91.000 PHE 81 1.000 -19.369 36.299 13.495 -99.200 -91.000 TRP 92 1.040 -28.060 33.084 22.085 -99.200 -91.000 TRP6 92 1.020 -29.093 31.122 21.268 -99.200 -91.000 HIS 111 0.900 -14.742 29.736 -2.550 -99.200 -91.000 PHE 120 1.000 -25.806 14.103 2.411 -99.200 -91.000 PHE 136 1.000 -31.655 23.378 -4.011 -99.200 -91.000 HIS 138 0.900 -26.613 31.942 -3.383 -99.200 -91.000 TYR 160 0.840 -30.899 12.700 28.879 -99.200 -91.000 TYR 161 0.840 -34.749 17.906 28.339 -99.200 -91.000 HIS 181 0.900 -32.707 24.036 15.291 -99.200 -91.000 TYR 191 0.840 -47.177 11.414 13.852 -99.200 -91.000 PHE 201 1.000 -44.865 3.989 28.653 -99.200 -91.000 PHE 216 1.000 -44.721 17.994 23.533 -99.200 -91.000 TYR 234 0.840 -19.165 23.144 23.132 -99.200 -91.000 TYR 248 0.840 -23.386 10.634 1.272 -99.200 -91.000 TYR 266 0.840 -45.292 17.747 5.932 -99.200 -91.000 HIS 268 0.900 -46.438 25.006 3.791 -99.200 -91.000 PHE 272 1.000 -33.660 23.285 1.046 -99.200 -91.000 PHE 300 1.000 -44.370 21.374 7.840 -99.200 -91.000