============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 9 1.000 25.467 -2.712 19.487 -99.200 -91.000 TYR 13 0.840 20.883 -4.901 20.108 -99.200 -91.000 PHE 17 1.000 27.478 0.524 15.982 -99.200 -91.000 TRP 27 1.040 24.159 5.694 5.979 -99.200 -91.000 TRP6 27 1.020 26.120 6.695 6.847 -99.200 -91.000 PHE 32 1.000 23.384 3.325 22.127 -99.200 -91.000 PHE 42 1.000 13.555 3.168 13.345 -99.200 -91.000 PHE 49 1.000 11.783 9.365 5.548 -99.200 -91.000 TYR 52 0.840 17.363 -5.425 4.522 -99.200 -91.000 HIS 54 0.900 18.334 -7.384 10.839 -99.200 -91.000 TRP 62 1.040 21.827 5.794 29.215 -99.200 -91.000 TRP6 62 1.020 23.590 5.208 27.759 -99.200 -91.000 TYR 72 0.840 18.329 5.937 5.360 -99.200 -91.000 HIS 90 0.900 9.377 12.261 18.946 -99.200 -91.000 TYR 111 0.840 24.037 -9.240 14.768 -99.200 -91.000 TRP 112 1.040 24.034 -6.920 9.430 -99.200 -91.000 TRP6 112 1.020 22.996 -5.581 11.088 -99.200 -91.000 TYR 113 0.840 20.946 -16.318 6.229 -99.200 -91.000 TRP 130 1.040 25.703 -5.528 1.884 -99.200 -91.000 TRP6 130 1.020 25.872 -5.843 4.225 -99.200 -91.000