============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 0 rings ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3k24C1 GLN 109 HA 0.00 -0.09 0.21 -0.75 4.36 3.73 3k24C1 GLN 109 HB2 0.00 -0.03 -0.06 -0.04 2.15 2.02 3k24C1 GLN 109 HB3 0.00 0.02 -0.03 -0.04 2.02 1.96 3k24C1 GLN 109 HG2 0.00 -0.01 0.03 -0.04 2.40 2.38 3k24C1 GLN 109 HG3 0.00 -0.01 -0.00 -0.04 2.39 2.34 3k24C1 GLN 109 HE21 0.00 -0.00 0.02 -0.04 6.97 6.94 3k24C1 GLN 109 HE22 0.00 -0.00 0.03 -0.04 7.69 7.67 3k24C1 LEU 110 H 0.00 0.12 0.12 -0.55 8.37 8.06 3k24C1 LEU 110 HA 0.00 0.18 0.89 -0.75 4.35 4.67 3k24C1 LEU 110 HB2 0.00 -0.00 0.01 -0.04 1.64 1.61 3k24C1 LEU 110 HB3 0.00 0.01 0.08 -0.04 1.64 1.69 3k24C1 LEU 110 HG 0.00 -0.08 -0.01 -0.04 1.64 1.51 3k24C1 LEU 110 HD13 0.00 -0.00 -0.01 -0.04 0.93 0.88 3k24C1 LEU 110 HD23 0.00 0.04 -0.15 -0.04 0.89 0.74 3k24C1 ALA 111 H 0.00 0.17 0.05 -0.55 8.40 8.07 3k24C1 ALA 111 HA 0.00 0.25 0.56 -0.75 4.34 4.40 3k24C1 ALA 111 HB3 0.00 0.03 -0.03 -0.04 1.41 1.37