============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 2 0.900 16.873 -9.084 21.159 -99.200 -91.000 PHE 4 1.000 15.913 -15.833 15.536 -99.200 -91.000 PHE 15 1.000 16.665 -38.993 7.586 -99.200 -91.000 HIS 28 0.900 13.605 -27.252 3.962 -99.200 -91.000 PHE 31 1.000 10.648 -22.893 0.286 -99.200 -91.000 TYR 107 0.840 16.469 -35.244 26.234 -99.200 -91.000 TYR 108 0.840 15.425 -42.234 30.616 -99.200 -91.000 HIS 119 0.900 22.746 -29.602 30.711 -99.200 -91.000 PHE 120 1.000 19.996 -25.067 30.233 -99.200 -91.000 TYR 134 0.840 13.633 -26.759 22.369 -99.200 -91.000 HIS 155 0.900 27.572 -17.991 31.073 -99.200 -91.000 TYR 157 0.840 30.699 -16.348 26.276 -99.200 -91.000 PHE 168 1.000 0.933 -16.482 25.488 -99.200 -91.000 TYR 170 0.840 8.121 -19.960 31.762 -99.200 -91.000 PHE 183 1.000 17.238 -14.768 28.235 -99.200 -91.000 TYR 186 0.840 14.529 -15.635 19.545 -99.200 -91.000 TYR 196 0.840 6.372 -15.976 23.058 -99.200 -91.000 TYR 197 0.840 5.299 -13.040 16.441 -99.200 -91.000 PHE 216 1.000 4.585 -18.898 11.724 -99.200 -91.000 TYR 220 0.840 8.869 -10.156 14.545 -99.200 -91.000 PHE 233 1.000 -2.167 -18.039 13.826 -99.200 -91.000 TYR 258 0.840 2.201 -31.773 -2.022 -99.200 -91.000 PHE 261 1.000 12.616 -28.204 -0.318 -99.200 -91.000 TYR 264 0.840 5.572 -38.372 5.240 -99.200 -91.000 TYR 285 0.840 2.078 -26.287 0.863 -99.200 -91.000 PHE 288 1.000 -1.092 -20.514 4.002 -99.200 -91.000