============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. PHE 9 1.000 9.097 6.289 11.618 -99.200 -91.000 PHE 21 1.000 0.704 15.776 7.225 -99.200 -91.000 HIS 25 0.900 -1.803 17.545 4.940 -99.200 -91.000 TYR 26 0.840 -2.620 13.237 -0.516 -99.200 -91.000 TYR 30 0.840 11.154 13.680 -9.506 -99.200 -91.000 TRP 49 1.040 5.603 9.431 9.764 -99.200 -91.000 TRP6 49 1.020 5.158 11.666 9.140 -99.200 -91.000 PHE 50 1.000 4.940 12.735 4.092 -99.200 -91.000 TRP 57 1.040 -4.463 17.645 8.884 -99.200 -91.000 TRP6 57 1.020 -5.910 17.866 7.035 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================