============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. HIS 5 0.900 58.639 -2.321 22.418 -99.200 -91.000 PHE 6 1.000 51.000 0.648 18.283 -99.200 -91.000 PHE 9 1.000 44.387 6.649 23.340 -99.200 -91.000 PHE 14 1.000 42.192 -2.035 22.327 -99.200 -91.000 PHE 27 1.000 49.185 -10.261 1.960 -99.200 -91.000 PHE 41 1.000 54.119 1.966 1.481 -99.200 -91.000 TYR 44 0.840 51.593 7.041 1.895 -99.200 -91.000