============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 33 1.000 23.822 27.599 78.532 -99.200 -91.000 PHE 46 1.000 14.447 20.901 77.832 -99.200 -91.000 PHE 56 1.000 10.735 7.254 88.820 -99.200 -91.000 TRP 57 1.040 5.911 16.459 85.955 -99.200 -91.000 TRP6 57 1.020 7.557 18.080 85.444 -99.200 -91.000 PHE 72 1.000 16.536 16.655 79.595 -99.200 -91.000 TYR 80 0.840 23.054 17.513 71.272 -99.200 -91.000 TYR 94 0.840 12.605 21.326 57.202 -99.200 -91.000 PHE 97 1.000 2.842 17.522 58.854 -99.200 -91.000 TYR 123 0.840 13.486 19.258 64.161 -99.200 -91.000 TRP 132 1.040 1.325 23.630 64.664 -99.200 -91.000 TRP6 132 1.020 0.980 21.317 64.986 -99.200 -91.000 TYR 135 0.840 6.210 16.358 71.951 -99.200 -91.000 TRP 143 1.040 11.886 9.899 68.330 -99.200 -91.000 TRP6 143 1.020 11.487 12.029 67.381 -99.200 -91.000 TYR 148 0.840 19.524 13.099 77.634 -99.200 -91.000 PHE 152 1.000 17.157 12.943 82.920 -99.200 -91.000 PHE 168 1.000 23.089 11.527 85.647 -99.200 -91.000