============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. HIS 19 0.900 -13.911 25.277 24.572 -99.200 -91.000 TYR 22 0.840 -9.668 26.128 31.022 -99.200 -91.000 TYR 26 0.840 -4.510 28.122 33.490 -99.200 -91.000 TYR 29 0.840 0.852 20.003 42.596 -99.200 -91.000 TYR 31 0.840 -0.800 30.157 37.337 -99.200 -91.000 TYR 36 0.840 8.338 23.836 33.284 -99.200 -91.000 TYR 43 0.840 1.907 31.450 21.361 -99.200 -91.000 TRP 44 1.040 1.019 27.605 24.689 -99.200 -91.000 TRP6 44 1.020 1.832 26.410 26.539 -99.200 -91.000 HIS 56 0.900 -13.093 41.781 24.499 -99.200 -91.000 PHE 66 1.000 5.573 37.228 32.917 -99.200 -91.000 HIS 72 0.900 17.066 37.129 32.315 -99.200 -91.000 HIS 83 0.900 11.536 30.437 36.257 -99.200 -91.000 HIS 86 0.900 15.500 27.546 25.706 -99.200 -91.000 TYR 89 0.840 10.432 29.340 27.986 -99.200 -91.000 TYR 100 0.840 -1.754 42.120 24.435 -99.200 -91.000 HIS 104 0.900 10.215 49.078 18.345 -99.200 -91.000 TYR 114 0.840 19.188 34.783 23.884 -99.200 -91.000 PHE 125 1.000 19.751 29.819 14.708 -99.200 -91.000 TRP 130 1.040 23.423 26.801 30.679 -99.200 -91.000 TRP6 130 1.020 25.466 26.584 31.841 -99.200 -91.000 PHE 137 1.000 16.062 24.522 21.350 -99.200 -91.000 PHE 139 1.000 8.596 27.812 14.024 -99.200 -91.000 PHE 162 1.000 21.272 21.414 12.575 -99.200 -91.000 PHE 169 1.000 12.721 5.728 7.107 -99.200 -91.000 PHE 173 1.000 12.284 18.288 7.493 -99.200 -91.000 HIS 182 0.900 7.700 14.268 18.031 -99.200 -91.000 TYR 187 0.840 4.424 24.205 13.937 -99.200 -91.000 PHE 192 1.000 15.016 26.896 8.867 -99.200 -91.000 HIS 200 0.900 12.962 25.399 -3.359 -99.200 -91.000 TRP 209 1.040 1.594 7.166 2.773 -99.200 -91.000 TRP6 209 1.020 3.426 5.729 3.143 -99.200 -91.000 TRP 210 1.040 6.092 9.446 8.873 -99.200 -91.000 TRP6 210 1.020 5.661 10.886 10.693 -99.200 -91.000 TYR 233 0.840 2.543 14.795 19.408 -99.200 -91.000 TRP 235 1.040 -1.038 23.411 15.887 -99.200 -91.000 TRP6 235 1.020 -2.256 24.764 14.390 -99.200 -91.000 TRP 236 1.040 3.042 20.433 17.211 -99.200 -91.000 TRP6 236 1.020 3.584 18.967 18.942 -99.200 -91.000 HIS 248 0.900 -5.633 17.623 -0.847 -99.200 -91.000 TRP 249 1.040 -3.121 14.121 0.088 -99.200 -91.000 TRP6 249 1.020 -0.840 13.663 -0.281 -99.200 -91.000 PHE 258 1.000 -8.999 12.669 18.938 -99.200 -91.000 PHE 270 1.000 -11.201 22.216 22.370 -99.200 -91.000 PHE 281 1.000 0.751 22.169 24.371 -99.200 -91.000 HIS 282 0.900 -3.026 19.091 25.592 -99.200 -91.000 PHE 285 1.000 -0.628 24.310 20.311 -99.200 -91.000 PHE 305 1.000 5.362 33.502 11.553 -99.200 -91.000