============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 39 1.000 5.413 1.558 4.483 -99.200 -91.000 HIS 75 0.900 12.698 -1.333 10.915 -99.200 -91.000 TYR 85 0.840 20.080 10.279 12.167 -99.200 -91.000 PHE 86 1.000 14.720 8.760 4.962 -99.200 -91.000 HIS 88 0.900 15.760 12.388 15.435 -99.200 -91.000 PHE 99 1.000 10.859 3.652 13.152 -99.200 -91.000 TYR 147 0.840 22.385 11.620 20.942 -99.200 -91.000 PHE 159 1.000 17.893 -1.833 19.218 -99.200 -91.000 TYR 166 0.840 18.801 3.298 27.321 -99.200 -91.000 TYR 176 0.840 9.634 6.741 36.574 -99.200 -91.000 TYR 177 0.840 9.554 11.065 27.956 -99.200 -91.000 HIS 185 0.900 13.940 16.625 17.334 -99.200 -91.000 PHE 191 1.000 18.695 17.110 6.256 -99.200 -91.000 TYR 206 0.840 34.919 -2.510 9.675 -99.200 -91.000 TYR 208 0.840 39.707 -4.097 6.067 -99.200 -91.000 TYR 214 0.840 39.410 -4.656 -3.924 -99.200 -91.000 TYR 216 0.840 38.235 4.032 -0.007 -99.200 -91.000 HIS 222 0.900 29.648 -0.848 -9.564 -99.200 -91.000 TYR 229 0.840 37.915 5.092 6.695 -99.200 -91.000 HIS 284 0.900 22.429 6.120 14.152 -99.200 -91.000 TYR 305 0.840 22.615 20.184 5.854 -99.200 -91.000 PHE 306 1.000 27.126 13.735 8.414 -99.200 -91.000 HIS 307 0.900 30.703 19.283 13.406 -99.200 -91.000 TYR 309 0.840 19.554 18.686 10.723 -99.200 -91.000