============================================================================= 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 2 0.900 44.292 28.451 -7.368 -99.200 -91.000 HIS 3 0.900 39.439 29.376 -12.493 -99.200 -91.000 HIS 4 0.900 43.283 23.730 -7.145 -99.200 -91.000 HIS 5 0.900 45.268 25.569 -14.816 -99.200 -91.000 HIS 6 0.900 49.718 20.238 -13.506 -99.200 -91.000 HIS 7 0.900 48.306 16.499 -7.796 -99.200 -91.000 HIS 19 0.900 28.371 8.542 -1.279 -99.200 -91.000 PHE 28 1.000 18.122 26.454 2.805 -99.200 -91.000 PHE 51 1.000 34.297 22.201 -5.633 -99.200 -91.000