============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. TYR 16 0.840 41.188 14.392 -3.455 -99.200 -91.000 PHE 18 1.000 34.811 13.011 -2.594 -99.200 -91.000 HIS 19 0.900 30.181 11.153 -9.253 -99.200 -91.000 HIS 21 0.900 24.043 14.149 -3.802 -99.200 -91.000 TYR 30 0.840 23.479 16.013 1.960 -99.200 -91.000 HIS 64 0.900 28.303 20.687 -6.583 -99.200 -91.000