============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 3 1.000 0.658 22.332 1.073 -99.200 -91.000 TYR 11 0.840 6.509 21.151 -0.843 -99.200 -91.000 PHE 13 1.000 3.519 21.577 5.041 -99.200 -91.000 HIS 24 0.900 -4.424 14.835 3.070 -99.200 -91.000 TYR 25 0.840 -2.995 19.441 3.324 -99.200 -91.000 PHE 33 1.000 7.725 13.756 8.303 -99.200 -91.000 PHE 47 1.000 13.951 22.843 13.779 -99.200 -91.000 HIS 56 0.900 17.674 30.968 19.632 -99.200 -91.000 TYR 63 0.840 13.886 11.086 10.743 -99.200 -91.000 PHE 66 1.000 10.876 14.134 4.385 -99.200 -91.000 PHE 68 1.000 11.928 18.517 8.747 -99.200 -91.000 PHE 83 1.000 16.233 24.047 2.823 -99.200 -91.000 PHE 85 1.000 9.833 15.815 -0.106 -99.200 -91.000