============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. TYR 4 0.840 9.602 -8.755 0.396 -99.200 -91.000 PHE 10 1.000 8.779 -8.805 9.296 -99.200 -91.000 HIS 19 0.900 5.003 -11.391 25.164 -99.200 -91.000 TYR 21 0.840 12.932 -6.758 18.452 -99.200 -91.000 PHE 22 1.000 8.027 -8.138 17.989 -99.200 -91.000 PHE 27 1.000 10.474 6.369 22.559 -99.200 -91.000