============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 13.660 40.200 53.128 -99.200 -91.000 TRP6 14 1.020 14.924 42.054 52.432 -99.200 -91.000 PHE 19 1.000 9.483 28.445 68.288 -99.200 -91.000 TRP 37 1.040 -0.851 44.254 57.490 -99.200 -91.000 TRP6 37 1.020 -2.717 42.780 57.629 -99.200 -91.000 HIS 43 0.900 2.564 24.926 52.212 -99.200 -91.000 TYR 47 0.840 -1.876 19.827 52.935 -99.200 -91.000 TRP 49 1.040 -0.386 15.747 55.168 -99.200 -91.000 TRP6 49 1.020 1.633 16.786 54.604 -99.200 -91.000 PHE 53 1.000 -0.531 24.790 63.261 -99.200 -91.000 HIS 65 0.900 23.089 34.530 61.566 -99.200 -91.000 TYR 70 0.840 14.686 35.491 73.746 -99.200 -91.000 TYR 84 0.840 -7.260 38.979 57.564 -99.200 -91.000 HIS 86 0.900 -6.935 34.068 47.028 -99.200 -91.000 TYR 89 0.840 -4.463 26.641 50.760 -99.200 -91.000 TRP 91 1.040 -8.045 23.003 51.398 -99.200 -91.000 TRP6 91 1.020 -9.074 20.867 51.712 -99.200 -91.000 PHE 110 1.000 10.013 48.507 59.983 -99.200 -91.000 TYR 113 0.840 20.919 43.187 64.145 -99.200 -91.000 HIS 115 0.900 14.256 48.392 56.309 -99.200 -91.000 TYR 132 0.840 16.308 38.356 33.773 -99.200 -91.000 TRP 139 1.040 16.589 30.117 60.627 -99.200 -91.000 TRP6 139 1.020 15.002 31.874 60.425 -99.200 -91.000 TRP 146 1.040 8.807 16.814 51.308 -99.200 -91.000 TRP6 146 1.020 8.925 18.785 50.047 -99.200 -91.000 PHE 184 1.000 8.166 32.436 40.911 -99.200 -91.000 TYR 188 0.840 21.509 26.634 39.620 -99.200 -91.000 PHE 207 1.000 12.735 33.221 43.441 -99.200 -91.000 PHE 213 1.000 15.173 48.042 35.554 -99.200 -91.000 TRP 217 1.040 17.771 43.152 48.342 -99.200 -91.000 TRP6 217 1.020 18.612 41.198 47.357 -99.200 -91.000 TYR 218 0.840 10.795 45.938 44.072 -99.200 -91.000 TRP 225 1.040 3.500 23.143 44.560 -99.200 -91.000 TRP6 225 1.020 4.057 21.517 42.923 -99.200 -91.000 TYR 235 0.840 13.177 22.122 37.124 -99.200 -91.000 PHE 237 1.000 6.587 23.335 40.198 -99.200 -91.000 TYR 238 0.840 10.234 29.102 44.730 -99.200 -91.000 HIS 240 0.900 3.460 35.610 39.249 -99.200 -91.000 PHE 242 1.000 1.714 42.416 39.465 -99.200 -91.000 TRP 247 1.040 -6.807 37.793 49.339 -99.200 -91.000 TRP6 247 1.020 -4.973 37.092 50.660 -99.200 -91.000 PHE 255 1.000 -11.463 47.655 60.380 -99.200 -91.000