============================================================================= 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. PHE 7 1.000 6.963 -8.161 48.765 -99.200 -91.000 HIS 18 0.900 11.539 -7.552 22.370 -99.200 -91.000 HIS 19 0.900 3.350 -6.270 23.409 -99.200 -91.000 PHE 20 1.000 7.762 -6.931 30.814 -99.200 -91.000 PHE 31 1.000 6.248 -1.291 61.765 -99.200 -91.000 PHE 49 1.000 12.903 -6.231 29.116 -99.200 -91.000 PHE 51 1.000 13.875 -8.663 37.227 -99.200 -91.000