============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 5 rings ring int. center anis. iso. HIS 4 0.900 -3.031 -12.970 59.125 -99.200 -91.000 HIS 9 0.900 2.908 -3.351 59.675 -99.200 -91.000 TYR 15 0.840 14.813 -2.921 55.106 -99.200 -91.000 PHE 23 1.000 14.087 -6.759 51.958 -99.200 -91.000 PHE 24 1.000 11.807 -7.537 43.347 -99.200 -91.000