============================================================================= 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. PHE 3 1.000 14.505 19.381 2.365 -99.200 -91.000 HIS 16 0.900 6.086 4.122 11.216 -99.200 -91.000 TYR 25 0.840 0.683 18.637 -1.357 -99.200 -91.000 TYR 35 0.840 6.505 3.674 7.049 -99.200 -91.000 PHE 39 1.000 -6.470 9.696 3.197 -99.200 -91.000 PHE 65 1.000 -9.536 23.099 10.703 -99.200 -91.000 TYR 75 0.840 -1.198 21.829 16.905 -99.200 -91.000 TYR 82 0.840 4.585 21.006 -1.810 -99.200 -91.000 HIS 92 0.900 -1.905 8.685 13.752 -99.200 -91.000 TYR 98 0.840 -12.773 19.959 14.820 -99.200 -91.000