============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. HIS 34 0.900 -8.296 17.208 3.986 -99.200 -91.000 PHE 38 1.000 -10.196 12.351 -4.588 -99.200 -91.000 HIS 51 0.900 -18.028 19.350 -12.623 -99.200 -91.000 PHE 69 1.000 -7.532 20.824 -12.191 -99.200 -91.000 PHE 88 1.000 -11.099 21.173 -3.742 -99.200 -91.000 HIS 97 0.900 -4.736 29.757 -5.030 -99.200 -91.000 PHE 141 1.000 -26.380 9.345 -7.055 -99.200 -91.000 HIS 153 0.900 -14.807 -0.197 -11.688 -99.200 -91.000 HIS 156 0.900 -15.791 0.754 -18.815 -99.200 -91.000