============================================================================= 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 39.179 72.079 27.979 -99.200 -91.000 PHE 10 1.000 27.335 67.547 27.482 -99.200 -91.000 PHE 12 1.000 35.302 61.558 22.094 -99.200 -91.000 TRP 17 1.040 38.567 58.747 28.166 -99.200 -91.000 TRP6 17 1.020 40.056 58.496 26.342 -99.200 -91.000 PHE 35 1.000 36.304 32.315 32.444 -99.200 -91.000 PHE 48 1.000 36.887 42.305 30.230 -99.200 -91.000 TRP 52 1.040 36.356 50.484 30.251 -99.200 -91.000 TRP6 52 1.020 34.599 48.914 30.077 -99.200 -91.000 PHE 62 1.000 43.173 61.894 26.534 -99.200 -91.000 PHE 67 1.000 49.810 56.574 22.927 -99.200 -91.000 TYR 70 0.840 36.336 57.620 24.073 -99.200 -91.000 TYR 72 0.840 31.753 56.421 19.754 -99.200 -91.000 PHE 87 1.000 32.774 38.523 31.629 -99.200 -91.000 TYR 139 0.840 41.857 56.931 18.925 -99.200 -91.000 PHE 144 1.000 39.943 64.181 24.385 -99.200 -91.000 TRP 152 1.040 42.523 76.401 28.613 -99.200 -91.000 TRP6 152 1.020 41.611 75.538 30.621 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================