============================================================================= 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 7.746 5.254 30.977 -99.200 -91.000 HIS 32 0.900 1.615 -1.163 12.722 -99.200 -91.000 TYR 36 0.840 4.834 5.709 18.583 -99.200 -91.000 HIS 53 0.900 14.185 9.882 28.734 -99.200 -91.000 HIS 71 0.900 -0.497 15.685 15.955 -99.200 -91.000 HIS 86 0.900 -2.134 7.132 36.075 -99.200 -91.000