============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. HIS 16 0.900 2.625 -5.093 47.816 -99.200 -91.000 HIS 32 0.900 -6.243 -10.723 29.808 -99.200 -91.000 PHE 48 1.000 4.683 -1.290 27.046 -99.200 -91.000 PHE 51 1.000 1.873 -5.187 22.302 -99.200 -91.000 HIS 54 0.900 0.318 -3.572 10.926 -99.200 -91.000 TYR 55 0.840 -4.469 -10.027 4.371 -99.200 -91.000 TYR 76 0.840 -5.440 -10.687 9.503 -99.200 -91.000 HIS 79 0.900 3.004 -2.394 13.768 -99.200 -91.000 PHE 80 1.000 4.725 -1.833 21.564 -99.200 -91.000 TYR 93 0.840 20.531 9.734 19.569 -99.200 -91.000