============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 3 1.000 34.147 -17.929 29.309 -99.200 -91.000 PHE 30 1.000 23.588 -6.595 38.096 -99.200 -91.000 PHE 37 1.000 22.186 -15.277 37.616 -99.200 -91.000 HIS 45 0.900 15.755 6.215 28.925 -99.200 -91.000 TRP 48 1.040 22.671 6.184 35.913 -99.200 -91.000 TRP6 48 1.020 23.224 8.422 36.474 -99.200 -91.000 TYR 55 0.840 18.560 2.899 44.268 -99.200 -91.000 HIS 66 0.900 16.304 8.927 32.632 -99.200 -91.000 PHE 70 1.000 17.363 -2.489 31.806 -99.200 -91.000 PHE 89 1.000 28.857 -8.694 27.917 -99.200 -91.000 PHE 102 1.000 35.297 -8.280 30.225 -99.200 -91.000 TYR 106 0.840 24.093 -14.687 25.377 -99.200 -91.000