============================================================================= 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. TYR 6 0.840 -2.841 17.550 21.975 -99.200 -91.000 PHE 15 1.000 -1.379 22.462 17.805 -99.200 -91.000 HIS 17 0.900 -5.139 23.591 13.534 -99.200 -91.000 HIS 20 0.900 1.400 26.277 17.323 -99.200 -91.000 HIS 30 0.900 -2.193 19.908 8.897 -99.200 -91.000 HIS 45 0.900 7.540 14.114 25.297 -99.200 -91.000 HIS 53 0.900 7.142 24.144 20.202 -99.200 -91.000 HIS 66 0.900 3.717 17.883 29.398 -99.200 -91.000