============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TRP 4 1.040 49.655 65.261 45.375 -99.200 -91.000 TRP6 4 1.020 49.316 65.918 47.615 -99.200 -91.000 PHE 31 1.000 34.619 53.836 72.639 -99.200 -91.000 TRP 51 1.040 43.939 58.318 73.835 -99.200 -91.000 TRP6 51 1.020 45.967 57.120 73.479 -99.200 -91.000 TRP 56 1.040 36.047 55.117 57.468 -99.200 -91.000 TRP6 56 1.020 36.951 56.437 59.207 -99.200 -91.000 TYR 60 0.840 36.589 56.460 46.528 -99.200 -91.000 TYR 61 0.840 38.798 56.932 51.073 -99.200 -91.000 TRP 81 1.040 31.502 60.489 56.056 -99.200 -91.000 TRP6 81 1.020 31.820 58.548 57.394 -99.200 -91.000 PHE 87 1.000 32.255 61.352 73.519 -99.200 -91.000 TYR 88 0.840 23.219 59.211 70.785 -99.200 -91.000 TYR 112 0.840 39.001 61.125 63.622 -99.200 -91.000 PHE 120 1.000 30.946 60.949 81.886 -99.200 -91.000 TRP 142 1.040 23.171 64.480 66.612 -99.200 -91.000 TRP6 142 1.020 22.695 63.945 68.856 -99.200 -91.000 HIS 144 0.900 26.264 59.535 58.646 -99.200 -91.000 PHE 149 1.000 28.678 55.246 61.908 -99.200 -91.000 TYR 164 0.840 47.630 52.325 76.123 -99.200 -91.000 PHE 165 1.000 42.127 55.562 85.257 -99.200 -91.000 PHE 170 1.000 39.119 60.954 90.810 -99.200 -91.000 TYR 184 0.840 18.037 57.686 70.088 -99.200 -91.000 TYR 191 0.840 20.093 57.339 64.263 -99.200 -91.000 PHE 198 1.000 33.968 55.839 83.906 -99.200 -91.000 PHE 200 1.000 34.928 57.973 89.185 -99.200 -91.000