============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 26 1.000 -25.216 24.138 46.338 -99.200 -91.000 PHE 39 1.000 -19.447 24.072 53.322 -99.200 -91.000 HIS 40 0.900 -18.937 28.120 57.582 -99.200 -91.000 PHE 48 1.000 -18.514 18.764 55.457 -99.200 -91.000 PHE 53 1.000 -27.564 17.337 46.354 -99.200 -91.000 PHE 73 1.000 -31.376 18.823 49.951 -99.200 -91.000 HIS 74 0.900 -31.835 23.925 56.316 -99.200 -91.000 PHE 76 1.000 -33.678 14.003 55.391 -99.200 -91.000 HIS 80 0.900 -19.148 11.993 60.159 -99.200 -91.000 HIS 107 0.900 -28.870 0.301 60.339 -99.200 -91.000 HIS 115 0.900 -13.549 12.816 37.905 -99.200 -91.000 TYR 116 0.840 -19.310 10.482 38.899 -99.200 -91.000