============================================================================= 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 6 1.000 13.487 21.585 39.395 -99.200 -91.000 TYR 9 0.840 10.673 23.991 34.840 -99.200 -91.000 HIS 42 0.900 34.880 7.425 23.853 -99.200 -91.000 HIS 45 0.900 31.603 15.582 30.412 -99.200 -91.000 TYR 68 0.840 32.307 6.004 35.259 -99.200 -91.000 HIS 86 0.900 31.881 17.967 40.178 -99.200 -91.000 HIS 94 0.900 28.292 13.045 33.666 -99.200 -91.000 TYR 113 0.840 14.623 11.333 26.892 -99.200 -91.000 PHE 116 1.000 16.314 11.835 31.647 -99.200 -91.000 PHE 132 1.000 24.857 13.790 21.753 -99.200 -91.000 TYR 152 0.840 10.304 19.981 37.625 -99.200 -91.000 TYR 161 0.840 8.937 26.554 25.810 -99.200 -91.000 TYR 168 0.840 3.885 16.616 23.868 -99.200 -91.000