============================================================================= 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 -15.099 36.407 1.678 -99.200 -91.000 PHE 39 1.000 -22.938 40.022 4.363 -99.200 -91.000 HIS 40 0.900 -24.413 45.595 4.193 -99.200 -91.000 PHE 48 1.000 -27.522 36.615 2.964 -99.200 -91.000 PHE 53 1.000 -17.086 30.958 -1.999 -99.200 -91.000 PHE 73 1.000 -17.473 34.359 -6.422 -99.200 -91.000 HIS 74 0.900 -19.781 42.103 -7.931 -99.200 -91.000 PHE 76 1.000 -22.845 33.205 -11.652 -99.200 -91.000 HIS 80 0.900 -34.062 33.075 -1.076 -99.200 -91.000 HIS 107 0.900 -34.941 23.771 -13.151 -99.200 -91.000 HIS 115 0.900 -19.155 22.206 12.289 -99.200 -91.000 TYR 116 0.840 -18.367 20.644 6.143 -99.200 -91.000