============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. PHE 21 1.000 12.332 64.668 43.240 -99.200 -91.000 TYR 30 0.840 10.038 64.121 29.968 -99.200 -91.000 TYR 33 0.840 20.284 61.462 25.982 -99.200 -91.000 TYR 38 0.840 18.696 61.748 33.902 -99.200 -91.000 HIS 57 0.900 21.191 72.375 26.835 -99.200 -91.000 HIS 59 0.900 25.399 63.878 23.054 -99.200 -91.000 HIS 64 0.900 29.437 74.543 21.098 -99.200 -91.000 TYR 68 0.840 26.816 76.723 33.444 -99.200 -91.000 PHE 89 1.000 9.254 58.656 29.194 -99.200 -91.000 PHE 112 1.000 19.178 89.070 30.857 -99.200 -91.000 HIS 118 0.900 28.262 85.130 25.171 -99.200 -91.000