============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. TYR 66 0.840 -47.782 2.616 7.169 -99.200 -91.000 HIS 113 0.900 -45.474 18.699 3.270 -99.200 -91.000 PHE 117 1.000 -36.165 22.990 6.809 -99.200 -91.000 HIS 124 0.900 -32.446 14.420 -12.205 -99.200 -91.000 HIS 136 0.900 -34.321 26.436 5.486 -99.200 -91.000 TYR 137 0.840 -33.506 19.785 3.592 -99.200 -91.000 TYR 139 0.840 -27.550 18.384 -3.943 -99.200 -91.000 PHE 160 1.000 -33.116 -2.291 -9.784 -99.200 -91.000 PHE 162 1.000 -35.084 5.699 -2.238 -99.200 -91.000