============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 5 1.000 1.152 -11.099 21.749 -99.200 -91.000 TYR 8 0.840 1.505 -2.433 17.190 -99.200 -91.000 TYR 13 0.840 6.947 -12.753 15.713 -99.200 -91.000 TYR 19 0.840 7.973 -9.457 14.292 -99.200 -91.000 TRP 28 1.040 6.919 0.192 11.929 -99.200 -91.000 TRP6 28 1.020 8.370 1.788 12.944 -99.200 -91.000 HIS 49 0.900 6.936 2.788 5.185 -99.200 -91.000 TYR 55 0.840 5.638 2.428 -2.839 -99.200 -91.000 TRP 61 1.040 5.950 5.520 -5.303 -99.200 -91.000 TRP6 61 1.020 8.019 4.901 -4.322 -99.200 -91.000 HIS 65 0.900 4.555 18.900 -9.002 -99.200 -91.000 TYR 69 0.840 5.173 18.312 -13.377 -99.200 -91.000 TRP 83 1.040 10.091 8.856 0.099 -99.200 -91.000 TRP6 83 1.020 9.104 10.760 -0.906 -99.200 -91.000