============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. PHE 13 1.000 17.832 51.681 42.053 -99.200 -91.000 PHE 37 1.000 -5.355 63.053 37.625 -99.200 -91.000 PHE 55 1.000 14.535 57.648 41.271 -99.200 -91.000 PHE 60 1.000 7.803 67.813 50.175 -99.200 -91.000 PHE 67 1.000 6.369 45.735 39.115 -99.200 -91.000 TYR 100 0.840 21.975 48.427 32.571 -99.200 -91.000