============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. PHE 18 1.000 10.633 4.232 16.041 -99.200 -91.000 HIS 26 0.900 13.902 23.241 19.272 -99.200 -91.000 HIS 31 0.900 19.624 4.564 18.204 -99.200 -91.000 HIS 39 0.900 14.788 -5.207 29.073 -99.200 -91.000 TYR 40 0.840 12.979 -9.002 21.856 -99.200 -91.000 TYR 56 0.840 29.963 14.309 18.694 -99.200 -91.000 TYR 65 0.840 10.075 5.061 30.921 -99.200 -91.000 TYR 67 0.840 6.752 8.695 30.497 -99.200 -91.000