============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. PHE 7 1.000 38.050 28.497 50.740 -99.200 -91.000 HIS 18 0.900 20.354 41.225 35.080 -99.200 -91.000 HIS 19 0.900 27.475 41.083 30.761 -99.200 -91.000 PHE 20 1.000 27.817 36.844 38.389 -99.200 -91.000 PHE 31 1.000 44.164 16.183 55.600 -99.200 -91.000 PHE 49 1.000 22.572 36.365 39.565 -99.200 -91.000 PHE 51 1.000 26.374 33.985 46.720 -99.200 -91.000