============================================================================= 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. TRP 14 1.040 8.654 6.226 18.372 -99.200 -91.000 TRP6 14 1.020 7.402 8.086 19.109 -99.200 -91.000 PHE 19 1.000 12.739 -5.553 3.061 -99.200 -91.000 TRP 37 1.040 23.028 10.268 14.009 -99.200 -91.000 TRP6 37 1.020 24.878 8.809 13.896 -99.200 -91.000 HIS 43 0.900 19.538 -9.441 19.212 -99.200 -91.000 TYR 47 0.840 23.709 -14.440 18.741 -99.200 -91.000 TRP 49 1.040 21.724 -18.045 16.511 -99.200 -91.000 TRP6 49 1.020 19.790 -16.771 16.947 -99.200 -91.000 PHE 53 1.000 22.289 -9.457 8.015 -99.200 -91.000 HIS 65 0.900 -0.861 0.543 9.987 -99.200 -91.000 TYR 70 0.840 7.239 1.623 -2.226 -99.200 -91.000 TYR 84 0.840 29.323 5.035 13.660 -99.200 -91.000 HIS 86 0.900 29.106 -0.070 24.387 -99.200 -91.000 TYR 89 0.840 26.484 -7.490 20.948 -99.200 -91.000 TRP 91 1.040 30.023 -11.261 20.135 -99.200 -91.000 TRP6 91 1.020 30.779 -13.470 19.816 -99.200 -91.000 PHE 110 1.000 12.378 14.592 11.519 -99.200 -91.000 TYR 113 0.840 1.330 9.071 7.563 -99.200 -91.000 HIS 115 0.900 8.055 14.362 15.352 -99.200 -91.000 TYR 132 0.840 6.131 4.530 37.832 -99.200 -91.000 TRP 139 1.040 5.485 -3.909 11.156 -99.200 -91.000 TRP6 139 1.020 7.022 -2.140 11.358 -99.200 -91.000 PHE 176 1.000 14.061 -1.490 30.621 -99.200 -91.000 TYR 180 0.840 0.690 -7.107 31.993 -99.200 -91.000 PHE 199 1.000 9.421 -0.867 28.148 -99.200 -91.000 PHE 205 1.000 7.503 14.148 35.828 -99.200 -91.000 TRP 209 1.040 4.589 9.349 23.157 -99.200 -91.000 TRP6 209 1.020 3.954 7.307 24.140 -99.200 -91.000 TYR 210 0.840 11.533 12.011 27.412 -99.200 -91.000 TRP 217 1.040 18.482 -10.882 27.182 -99.200 -91.000 TRP6 217 1.020 17.868 -12.338 28.930 -99.200 -91.000 TYR 227 0.840 8.677 -11.774 34.810 -99.200 -91.000 PHE 229 1.000 15.671 -10.270 31.345 -99.200 -91.000 TYR 230 0.840 11.946 -4.798 26.863 -99.200 -91.000 HIS 232 0.900 18.898 1.992 32.172 -99.200 -91.000 PHE 234 1.000 20.687 8.291 32.299 -99.200 -91.000 TRP 239 1.040 29.029 3.691 22.413 -99.200 -91.000 TRP6 239 1.020 27.268 3.083 20.973 -99.200 -91.000 PHE 247 1.000 32.255 8.162 14.717 -99.200 -91.000