============================================================================= 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 25 1.040 112.430 22.420 176.473 -99.200 -91.000 TRP6 25 1.020 114.465 21.232 176.584 -99.200 -91.000 PHE 56 1.000 104.654 18.992 168.112 -99.200 -91.000 PHE 96 1.000 103.737 24.924 148.098 -99.200 -91.000 TYR 106 0.840 96.268 28.387 122.659 -99.200 -91.000 TYR 111 0.840 104.141 37.717 103.934 -99.200 -91.000 TYR 112 0.840 95.712 38.637 101.915 -99.200 -91.000 TYR 118 0.840 94.479 45.530 83.600 -99.200 -91.000 TRP 125 1.040 85.521 46.010 97.669 -99.200 -91.000 TRP6 125 1.020 84.286 44.273 98.684 -99.200 -91.000 PHE 149 1.000 100.440 44.257 102.260 -99.200 -91.000 PHE 152 1.000 101.241 36.051 93.415 -99.200 -91.000 TYR 160 0.840 107.183 33.770 81.866 -99.200 -91.000 TYR 162 0.840 101.799 42.652 77.558 -99.200 -91.000 TYR 174 0.840 102.544 53.703 75.676 -99.200 -91.000 PHE 184 1.000 104.818 43.638 91.903 -99.200 -91.000 TYR 186 0.840 107.613 37.928 98.023 -99.200 -91.000 HIS 188 0.900 108.015 41.493 103.663 -99.200 -91.000 PHE 199 1.000 97.306 43.107 106.804 -99.200 -91.000 PHE 219 1.000 102.642 26.993 93.109 -99.200 -91.000 TRP 234 1.040 107.348 33.186 108.534 -99.200 -91.000 TRP6 234 1.020 105.027 32.951 108.159 -99.200 -91.000 HIS 240 0.900 105.481 29.745 112.220 -99.200 -91.000 PHE 244 1.000 99.287 31.794 95.681 -99.200 -91.000 HIS 251 0.900 104.120 30.546 84.207 -99.200 -91.000 HIS 270 0.900 118.465 33.287 96.408 -99.200 -91.000 HIS 276 0.900 111.302 45.307 94.600 -99.200 -91.000 TYR 277 0.840 112.798 35.002 93.868 -99.200 -91.000 TYR 285 0.840 107.844 30.449 87.072 -99.200 -91.000 PHE 304 1.000 97.551 26.430 97.194 -99.200 -91.000 TYR 314 0.840 95.718 27.595 92.531 -99.200 -91.000 TYR 317 0.840 98.634 22.763 90.951 -99.200 -91.000 TYR 344 0.840 93.016 30.818 118.239 -99.200 -91.000 PHE 366 1.000 107.200 20.347 141.532 -99.200 -91.000 PHE 393 1.000 100.770 21.343 137.574 -99.200 -91.000 PHE 410 1.000 110.347 27.599 146.631 -99.200 -91.000 PHE 417 1.000 100.767 29.564 131.199 -99.200 -91.000 PHE 427 1.000 114.690 27.735 155.689 -99.200 -91.000 HIS 442 0.900 117.485 34.853 190.714 -99.200 -91.000 PHE 451 1.000 115.949 29.005 184.736 -99.200 -91.000