============================================================================= 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. PHE 7 1.000 -9.936 -4.458 31.842 -99.200 -91.000 HIS 32 0.900 -6.922 1.187 15.939 -99.200 -91.000 TYR 36 0.840 -8.123 -4.902 19.256 -99.200 -91.000 HIS 53 0.900 -16.624 -9.060 30.092 -99.200 -91.000 HIS 71 0.900 -3.082 -14.403 16.097 -99.200 -91.000 HIS 86 0.900 0.388 -6.397 36.078 -99.200 -91.000