============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 2 1.000 -5.591 33.967 15.441 -99.200 -91.000 PHE 34 1.000 6.300 22.354 -1.027 -99.200 -91.000 TYR 43 0.840 1.194 31.934 3.903 -99.200 -91.000 TYR 45 0.840 4.892 29.565 14.693 -99.200 -91.000 PHE 48 1.000 1.710 33.810 15.951 -99.200 -91.000 PHE 50 1.000 5.463 42.366 8.750 -99.200 -91.000 TYR 59 0.840 4.508 45.686 1.727 -99.200 -91.000 TYR 60 0.840 0.936 42.592 11.533 -99.200 -91.000 HIS 73 0.900 -7.857 28.067 2.418 -99.200 -91.000 PHE 106 1.000 -12.487 -0.592 5.695 -99.200 -91.000 HIS 115 0.900 -6.420 8.411 6.850 -99.200 -91.000 PHE 116 1.000 -9.811 3.252 7.933 -99.200 -91.000 HIS 132 0.900 2.494 11.399 12.490 -99.200 -91.000 TRP 133 1.040 3.002 20.584 8.801 -99.200 -91.000 TRP6 133 1.020 3.714 22.051 10.492 -99.200 -91.000 TYR 137 0.840 7.089 19.422 6.254 -99.200 -91.000 PHE 139 1.000 12.638 31.207 4.594 -99.200 -91.000 HIS 150 0.900 8.570 29.907 2.298 -99.200 -91.000 PHE 152 1.000 4.950 34.091 -7.245 -99.200 -91.000 PHE 153 1.000 8.870 26.665 -3.967 -99.200 -91.000 HIS 161 0.900 3.098 18.873 -3.688 -99.200 -91.000 TYR 166 0.840 -9.507 18.015 -10.582 -99.200 -91.000 TYR 180 0.840 -13.570 28.300 -1.807 -99.200 -91.000 HIS 188 0.900 -4.455 32.525 0.091 -99.200 -91.000 TYR 192 0.840 1.622 35.557 0.320 -99.200 -91.000 TYR 224 0.840 -16.391 26.814 -5.696 -99.200 -91.000 PHE 229 1.000 -17.330 32.738 -4.709 -99.200 -91.000 HIS 230 0.900 -11.893 35.263 -10.909 -99.200 -91.000 TYR 234 0.840 -14.076 36.055 0.498 -99.200 -91.000 PHE 236 1.000 -11.293 34.627 5.954 -99.200 -91.000 TYR 241 0.840 -4.950 41.840 11.110 -99.200 -91.000 TRP 248 1.040 -7.122 41.395 -3.633 -99.200 -91.000 TRP6 248 1.020 -5.947 39.804 -4.908 -99.200 -91.000 PHE 272 1.000 -18.563 14.745 6.979 -99.200 -91.000 HIS 276 0.900 -22.193 4.437 16.600 -99.200 -91.000 PHE 281 1.000 -13.877 0.017 19.504 -99.200 -91.000 PHE 285 1.000 -19.333 -1.799 20.659 -99.200 -91.000 HIS 286 0.900 -23.199 -1.084 21.659 -99.200 -91.000 TYR 291 0.840 -25.398 10.009 20.434 -99.200 -91.000 TYR 298 0.840 -28.399 21.217 25.212 -99.200 -91.000