============================================================================= 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. PHE 2 1.000 7.429 -3.470 -38.614 -99.200 -91.000 TYR 8 0.840 8.511 -1.159 -46.891 -99.200 -91.000 HIS 11 0.900 4.273 -8.353 -52.114 -99.200 -91.000 PHE 12 1.000 6.357 2.030 -50.840 -99.200 -91.000 TYR 17 0.840 4.185 6.404 -49.959 -99.200 -91.000 TYR 21 0.840 -0.514 6.977 -47.887 -99.200 -91.000 TYR 22 0.840 3.104 11.887 -50.092 -99.200 -91.000 HIS 31 0.900 1.933 18.528 -39.017 -99.200 -91.000 PHE 37 1.000 7.883 28.756 -44.268 -99.200 -91.000 PHE 40 1.000 14.871 21.295 -43.360 -99.200 -91.000 TYR 60 0.840 6.436 14.983 -48.333 -99.200 -91.000 PHE 69 1.000 20.611 21.540 -44.488 -99.200 -91.000 TYR 77 0.840 16.390 -2.852 -48.446 -99.200 -91.000 TRP 88 1.040 9.388 15.823 -59.729 -99.200 -91.000 TRP6 88 1.020 11.038 17.218 -58.783 -99.200 -91.000 PHE 96 1.000 2.348 12.336 -57.414 -99.200 -91.000 TRP 98 1.040 6.256 15.073 -56.393 -99.200 -91.000 TRP6 98 1.020 5.264 14.678 -54.280 -99.200 -91.000 TYR 104 0.840 0.478 24.317 -48.441 -99.200 -91.000 TYR 167 0.840 11.629 4.999 -34.189 -99.200 -91.000 PHE 183 1.000 20.753 21.934 -37.078 -99.200 -91.000 TYR 194 0.840 -3.797 -0.390 -40.405 -99.200 -91.000 TYR 195 0.840 2.838 2.637 -44.700 -99.200 -91.000 PHE 202 1.000 3.907 -2.057 -48.125 -99.200 -91.000 TYR 221 0.840 20.684 11.539 -32.945 -99.200 -91.000 TRP 225 1.040 11.872 22.448 -33.343 -99.200 -91.000 TRP6 225 1.020 13.896 23.632 -33.671 -99.200 -91.000 PHE 226 1.000 8.664 14.483 -29.832 -99.200 -91.000 TYR 233 0.840 -1.145 9.448 -42.915 -99.200 -91.000 PHE 244 1.000 8.030 11.340 -34.313 -99.200 -91.000