============================================================================= 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. TYR 4 0.840 7.280 -2.411 7.395 -99.200 -91.000 PHE 17 1.000 -6.185 -8.203 10.949 -99.200 -91.000 PHE 32 1.000 -2.990 -2.698 12.097 -99.200 -91.000 HIS 40 0.900 -12.583 -5.439 8.348 -99.200 -91.000 PHE 44 1.000 -1.393 -5.534 17.934 -99.200 -91.000 HIS 62 0.900 -9.097 2.322 16.083 -99.200 -91.000 PHE 77 1.000 4.198 -3.191 17.150 -99.200 -91.000 TYR 86 0.840 4.783 -7.691 20.022 -99.200 -91.000 PHE 88 1.000 -2.362 -8.167 13.635 -99.200 -91.000 TYR 89 0.840 -8.293 -11.051 18.831 -99.200 -91.000 HIS 93 0.900 -15.226 -9.129 9.686 -99.200 -91.000