============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 8 1.000 0.174 -27.580 -13.460 -99.200 -91.000 HIS 12 0.900 3.453 -25.153 -16.478 -99.200 -91.000 TYR 25 0.840 9.541 -31.839 -25.010 -99.200 -91.000 PHE 46 1.000 5.723 -28.162 -22.228 -99.200 -91.000 HIS 48 0.900 8.604 -34.788 -20.213 -99.200 -91.000 TYR 73 0.840 0.162 -28.027 -1.148 -99.200 -91.000 TYR 76 0.840 5.657 -35.964 0.312 -99.200 -91.000 TYR 92 0.840 4.996 -13.403 -32.227 -99.200 -91.000 TYR 97 0.840 10.461 -21.408 -26.569 -99.200 -91.000 HIS 105 0.900 12.563 -33.412 -4.854 -99.200 -91.000 TYR 115 0.840 -5.415 -27.458 -2.466 -99.200 -91.000 HIS 119 0.900 -0.950 -19.881 -11.066 -99.200 -91.000 PHE 120 1.000 6.865 -26.445 -12.828 -99.200 -91.000