============================================================================= 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 39.269 70.497 27.419 -99.200 -91.000 PHE 10 1.000 28.265 68.218 27.909 -99.200 -91.000 PHE 12 1.000 35.443 62.024 21.129 -99.200 -91.000 TRP 17 1.040 38.010 58.945 28.237 -99.200 -91.000 TRP6 17 1.020 38.787 58.758 26.010 -99.200 -91.000 PHE 35 1.000 36.143 32.853 31.695 -99.200 -91.000 PHE 48 1.000 36.960 42.211 30.222 -99.200 -91.000 TRP 52 1.040 36.394 51.270 30.197 -99.200 -91.000 TRP6 52 1.020 34.321 50.223 29.747 -99.200 -91.000 PHE 62 1.000 43.998 61.239 27.190 -99.200 -91.000 PHE 67 1.000 50.009 56.538 22.187 -99.200 -91.000 TYR 70 0.840 35.935 57.230 22.853 -99.200 -91.000 TYR 72 0.840 30.081 55.529 20.859 -99.200 -91.000 PHE 87 1.000 32.097 36.639 31.436 -99.200 -91.000 TYR 139 0.840 40.085 58.480 19.924 -99.200 -91.000 PHE 144 1.000 39.656 63.034 25.260 -99.200 -91.000 TRP 152 1.040 45.172 74.356 28.198 -99.200 -91.000 TRP6 152 1.020 43.627 73.322 29.666 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================