============================================================================= 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 7.047 -7.986 49.145 -99.200 -91.000 HIS 18 0.900 11.770 -7.297 22.714 -99.200 -91.000 HIS 19 0.900 3.298 -6.004 23.791 -99.200 -91.000 PHE 20 1.000 7.908 -6.656 31.056 -99.200 -91.000 PHE 31 1.000 6.306 -1.038 62.031 -99.200 -91.000 PHE 49 1.000 13.026 -6.042 29.359 -99.200 -91.000 PHE 51 1.000 13.920 -8.430 37.412 -99.200 -91.000