============================================================================= 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 3.258 -8.681 29.013 -99.200 -91.000 PHE 39 1.000 7.630 -7.552 37.061 -99.200 -91.000 HIS 40 0.900 7.620 -11.095 41.549 -99.200 -91.000 PHE 48 1.000 12.978 -5.046 36.510 -99.200 -91.000 PHE 53 1.000 8.698 -6.881 24.380 -99.200 -91.000 PHE 73 1.000 10.415 -11.911 24.552 -99.200 -91.000 HIS 74 0.900 10.902 -17.738 30.183 -99.200 -91.000 PHE 76 1.000 17.906 -13.680 23.938 -99.200 -91.000 HIS 80 0.900 21.062 -3.994 35.763 -99.200 -91.000 HIS 107 0.900 30.762 -5.447 24.293 -99.200 -91.000 HIS 115 0.900 4.958 9.354 26.591 -99.200 -91.000 TYR 116 0.840 7.993 6.052 22.256 -99.200 -91.000