============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 26 1.000 -18.988 44.190 17.361 -99.200 -91.000 PHE 39 1.000 -14.079 47.302 10.860 -99.200 -91.000 HIS 40 0.900 -15.768 50.177 6.151 -99.200 -91.000 PHE 48 1.000 -9.123 49.726 12.977 -99.200 -91.000 PHE 53 1.000 -16.265 46.414 23.161 -99.200 -91.000 PHE 73 1.000 -18.893 51.189 22.801 -99.200 -91.000 HIS 74 0.900 -21.188 56.162 16.434 -99.200 -91.000 PHE 76 1.000 -15.775 57.603 24.912 -99.200 -91.000 HIS 80 0.900 -3.484 55.043 15.892 -99.200 -91.000 HIS 107 0.900 -1.686 62.027 29.222 -99.200 -91.000 HIS 115 0.900 -5.581 33.251 21.973 -99.200 -91.000 TYR 116 0.840 -7.320 37.194 26.745 -99.200 -91.000