============================================================================= 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 -80.227 3.611 22.880 -99.200 -91.000 HIS 12 0.900 -83.785 1.042 25.597 -99.200 -91.000 TYR 23 0.840 -79.982 -3.179 36.603 -99.200 -91.000 PHE 44 1.000 -82.548 -0.169 32.311 -99.200 -91.000 HIS 46 0.900 -75.803 -3.450 32.716 -99.200 -91.000 TYR 71 0.840 -76.966 1.070 11.119 -99.200 -91.000 TYR 74 0.840 -69.496 -5.413 12.503 -99.200 -91.000 TYR 90 0.840 -99.439 2.969 37.415 -99.200 -91.000 TYR 95 0.840 -90.632 -3.835 35.367 -99.200 -91.000 HIS 103 0.900 -73.257 -10.753 18.601 -99.200 -91.000 TYR 113 0.840 -77.294 6.766 11.210 -99.200 -91.000 HIS 117 0.900 -86.944 0.879 18.794 -99.200 -91.000 PHE 118 1.000 -81.734 -3.167 23.199 -99.200 -91.000