============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 4 rings ring int. center anis. iso. PHE 2 1.000 14.316 -10.313 -2.259 -99.200 -91.000 HIS 6 0.900 19.897 -9.179 5.709 -99.200 -91.000 HIS 45 0.900 19.195 -7.680 10.596 -99.200 -91.000 HIS 57 0.900 28.271 -3.138 18.811 -99.200 -91.000