============================================================================= 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. HIS 1 0.900 26.469 -16.886 7.965 -99.200 -91.000 TYR 29 0.840 40.284 -11.437 21.582 -99.200 -91.000 PHE 32 1.000 32.757 -12.407 23.557 -99.200 -91.000 TYR 37 0.840 17.713 -16.996 10.557 -99.200 -91.000 PHE 49 1.000 16.769 6.403 21.184 -99.200 -91.000 PHE 71 1.000 6.352 3.917 6.439 -99.200 -91.000 PHE 109 1.000 24.101 7.719 7.158 -99.200 -91.000 PHE 140 1.000 17.584 -12.272 9.212 -99.200 -91.000 TYR 148 0.840 28.946 -8.007 22.208 -99.200 -91.000 PHE 149 1.000 28.600 -3.443 20.726 -99.200 -91.000 TYR 166 0.840 15.258 -8.441 5.225 -99.200 -91.000 PHE 186 1.000 8.557 -7.880 -2.118 -99.200 -91.000 PHE 191 1.000 4.657 -10.776 1.932 -99.200 -91.000 TYR 213 0.840 13.363 -2.067 12.051 -99.200 -91.000 HIS 237 0.900 2.704 6.486 10.980 -99.200 -91.000 HIS 249 0.900 9.130 21.975 6.700 -99.200 -91.000 PHE 250 1.000 15.152 19.453 2.699 -99.200 -91.000 HIS 264 0.900 -0.372 7.203 24.785 -99.200 -91.000 HIS 271 0.900 6.676 16.844 25.117 -99.200 -91.000 TYR 285 0.840 0.826 29.949 7.281 -99.200 -91.000 TYR 297 0.840 -5.784 40.171 7.126 -99.200 -91.000 PHE 317 1.000 9.641 22.700 18.238 -99.200 -91.000 TYR 328 0.840 12.701 15.147 25.802 -99.200 -91.000 PHE 336 1.000 5.448 23.410 27.564 -99.200 -91.000