============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 2 0.840 38.976 68.946 27.095 -99.200 -91.000 PHE 10 1.000 27.319 68.043 27.361 -99.200 -91.000 PHE 12 1.000 34.058 61.512 21.667 -99.200 -91.000 TRP 17 1.040 39.569 59.116 28.799 -99.200 -91.000 TRP6 17 1.020 40.343 58.558 26.631 -99.200 -91.000 PHE 35 1.000 35.609 32.888 31.214 -99.200 -91.000 PHE 48 1.000 37.336 41.864 31.063 -99.200 -91.000 TRP 52 1.040 36.384 50.688 30.147 -99.200 -91.000 TRP6 52 1.020 34.640 49.955 28.729 -99.200 -91.000 PHE 62 1.000 43.389 61.560 27.010 -99.200 -91.000 PHE 67 1.000 48.740 57.090 22.466 -99.200 -91.000 TYR 70 0.840 36.155 57.636 23.734 -99.200 -91.000 TYR 72 0.840 29.731 54.876 21.581 -99.200 -91.000 PHE 87 1.000 32.088 37.398 31.350 -99.200 -91.000 TYR 139 0.840 40.646 58.425 18.955 -99.200 -91.000 PHE 144 1.000 39.132 63.841 24.048 -99.200 -91.000 TRP 152 1.040 43.413 73.947 28.680 -99.200 -91.000 TRP6 152 1.020 42.223 72.561 30.184 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================