============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. PHE 4 1.000 -6.625 52.362 28.516 -99.200 -91.000 PHE 13 1.000 -7.490 48.512 36.339 -99.200 -91.000 HIS 18 0.900 -0.119 46.972 33.276 -99.200 -91.000 HIS 22 0.900 -9.052 44.500 37.575 -99.200 -91.000 HIS 26 0.900 -13.375 41.728 38.345 -99.200 -91.000 PHE 32 1.000 -0.091 33.717 29.330 -99.200 -91.000 PHE 41 1.000 1.533 29.748 36.996 -99.200 -91.000 HIS 50 0.900 5.340 27.005 38.685 -99.200 -91.000 HIS 55 0.900 8.732 23.138 37.203 -99.200 -91.000 TYR 72 0.840 38.045 15.477 39.033 -99.200 -91.000 HIS 73 0.900 34.665 10.554 34.827 -99.200 -91.000