============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. HIS 2 0.900 18.771 -31.383 48.067 -99.200 -91.000 HIS 15 0.900 22.808 -18.144 43.375 -99.200 -91.000 TYR 16 0.840 20.823 -11.425 43.042 -99.200 -91.000 PHE 27 1.000 11.697 -14.178 36.434 -99.200 -91.000 PHE 28 1.000 15.229 -10.659 42.911 -99.200 -91.000 HIS 36 0.900 9.436 -5.180 38.616 -99.200 -91.000 TYR 38 0.840 7.905 -9.819 34.326 -99.200 -91.000 TYR 61 0.840 9.813 -9.070 40.871 -99.200 -91.000