============================================================================= 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. TYR 27 0.840 49.103 -40.957 41.866 -99.200 -91.000 TYR 30 0.840 49.415 -34.745 41.035 -99.200 -91.000 TRP 36 1.040 40.254 -24.982 41.038 -99.200 -91.000 TRP6 36 1.020 42.085 -23.651 41.730 -99.200 -91.000 TRP 46 1.040 46.640 -18.773 36.503 -99.200 -91.000 TRP6 46 1.020 47.173 -19.846 38.548 -99.200 -91.000 PHE 49 1.000 44.410 -19.350 43.544 -99.200 -91.000 PHE 53 1.000 42.128 -17.967 48.197 -99.200 -91.000 PHE 54 1.000 48.684 -17.542 47.227 -99.200 -91.000 HIS 56 0.900 46.900 -12.088 52.938 -99.200 -91.000 TYR 77 0.840 37.580 -7.340 39.841 -99.200 -91.000 PHE 78 1.000 44.234 1.868 38.339 -99.200 -91.000 TYR 89 0.840 36.944 17.475 42.849 -99.200 -91.000 PHE 104 1.000 36.466 9.685 51.690 -99.200 -91.000 TRP 124 1.040 39.562 0.439 41.767 -99.200 -91.000 TRP6 124 1.020 41.702 1.273 42.423 -99.200 -91.000 TYR 132 0.840 34.891 -3.302 41.901 -99.200 -91.000 PHE 134 1.000 36.225 0.349 32.048 -99.200 -91.000 TYR 142 0.840 37.439 5.109 32.337 -99.200 -91.000 PHE 144 1.000 28.993 4.118 41.718 -99.200 -91.000 PHE 156 1.000 39.255 13.916 48.578 -99.200 -91.000 TYR 166 0.840 33.697 -8.700 43.579 -99.200 -91.000 TRP 183 1.040 38.195 -21.945 53.363 -99.200 -91.000 TRP6 183 1.020 40.203 -22.038 52.087 -99.200 -91.000 HIS 184 0.900 33.378 -14.870 53.844 -99.200 -91.000 TRP 186 1.040 29.658 -12.964 50.480 -99.200 -91.000 TRP6 186 1.020 28.433 -11.397 49.189 -99.200 -91.000 HIS 190 0.900 36.438 -3.268 48.433 -99.200 -91.000 HIS 192 0.900 39.973 -1.365 45.414 -99.200 -91.000 TRP 193 1.040 40.447 5.889 48.672 -99.200 -91.000 TRP6 193 1.020 39.425 7.946 48.138 -99.200 -91.000 TYR 200 0.840 55.177 15.133 49.108 -99.200 -91.000 TYR 208 0.840 38.697 -2.494 53.877 -99.200 -91.000 PHE 209 1.000 31.919 2.530 53.449 -99.200 -91.000 TRP 214 1.040 30.291 -10.189 53.937 -99.200 -91.000 TRP6 214 1.020 30.060 -12.468 54.569 -99.200 -91.000 HIS 239 0.900 23.511 13.470 53.218 -99.200 -91.000 PHE 240 1.000 23.987 6.165 55.745 -99.200 -91.000 TYR 244 0.840 41.615 7.564 56.000 -99.200 -91.000 PHE 246 1.000 42.972 9.216 51.664 -99.200 -91.000