============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 4 0.840 26.814 42.393 -2.897 -99.200 -91.000 HIS 27 0.900 34.218 64.646 -0.593 -99.200 -91.000 PHE 28 1.000 27.205 67.582 3.757 -99.200 -91.000 TYR 40 0.840 30.405 58.711 -7.509 -99.200 -91.000 TYR 64 0.840 9.329 55.375 -17.997 -99.200 -91.000 TYR 71 0.840 18.416 54.829 -13.653 -99.200 -91.000 PHE 78 1.000 16.661 49.350 -8.345 -99.200 -91.000 PHE 82 1.000 11.745 59.722 3.656 -99.200 -91.000 PHE 90 1.000 6.791 59.677 3.598 -99.200 -91.000 HIS 94 0.900 3.127 56.067 -1.678 -99.200 -91.000 TYR 96 0.840 11.905 58.718 -7.426 -99.200 -91.000 TYR 137 0.840 6.492 51.311 -0.388 -99.200 -91.000 TYR 141 0.840 12.389 55.201 7.653 -99.200 -91.000 PHE 156 1.000 24.993 54.067 -0.231 -99.200 -91.000 TYR 157 0.840 28.642 48.835 4.500 -99.200 -91.000 HIS 166 0.900 16.002 39.083 -6.224 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================