============================================================================= 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 ============================================================================= 1lvmE1 GLU 230 HA 0.00 -0.10 0.21 -0.75 4.29 3.64 1lvmE1 GLU 230 HB2 0.00 -0.02 0.03 -0.04 2.09 2.06 1lvmE1 GLU 230 HB3 0.00 0.00 -0.06 -0.04 1.99 1.89 1lvmE1 GLU 230 HG2 0.00 0.09 -0.10 -0.04 2.34 2.28 1lvmE1 GLU 230 HG3 0.00 -0.08 0.05 -0.04 2.34 2.27 1lvmE1 ALA 231 H 0.00 0.05 0.05 -0.55 8.40 7.96 1lvmE1 ALA 231 HA 0.00 0.04 0.38 -0.75 4.34 4.01 1lvmE1 ALA 231 HB3 0.00 0.01 0.01 -0.04 1.41 1.39 1lvmE1 THR 232 H 0.00 0.12 0.16 -0.55 8.28 8.01 1lvmE1 THR 232 HA 0.00 0.09 0.61 -0.75 4.39 4.33 1lvmE1 THR 232 HB 0.00 -0.05 0.16 -0.04 4.32 4.38 1lvmE1 THR 232 HG23 0.00 -0.01 -0.21 -0.04 1.22 0.96 1lvmE1 GLN 233 H 0.00 0.17 0.13 -0.55 8.47 8.22 1lvmE1 GLN 233 HA 0.00 0.02 0.51 -0.75 4.36 4.14 1lvmE1 GLN 233 HB2 0.00 -0.03 0.15 -0.04 2.15 2.23 1lvmE1 GLN 233 HB3 0.00 0.07 0.03 -0.04 2.02 2.07 1lvmE1 GLN 233 HG2 0.00 0.05 0.09 -0.04 2.40 2.50 1lvmE1 GLN 233 HG3 0.00 -0.01 0.04 -0.04 2.39 2.37 1lvmE1 GLN 233 HE21 0.00 -0.04 -0.04 -0.04 6.97 6.85 1lvmE1 GLN 233 HE22 0.00 0.05 -0.02 -0.04 7.69 7.68 1lvmE1 LEU 234 H 0.00 0.10 0.15 -0.55 8.37 8.07 1lvmE1 LEU 234 HA 0.00 0.10 0.47 -0.75 4.35 4.16 1lvmE1 LEU 234 HB2 0.00 -0.01 0.05 -0.04 1.64 1.64 1lvmE1 LEU 234 HB3 0.00 -0.10 0.12 -0.04 1.64 1.61 1lvmE1 LEU 234 HG 0.00 0.11 0.07 -0.04 1.64 1.77 1lvmE1 LEU 234 HD13 0.00 -0.00 0.03 -0.04 0.93 0.92 1lvmE1 LEU 234 HD23 0.00 0.01 -0.00 -0.04 0.89 0.85 1lvmE1 MET 235 H 0.00 0.11 0.12 -0.55 8.47 8.15 1lvmE1 MET 235 HA 0.00 0.19 0.25 -0.75 4.52 4.21 1lvmE1 MET 235 HB2 0.00 0.01 0.05 -0.04 2.15 2.17 1lvmE1 MET 235 HB3 0.00 0.03 0.08 -0.04 2.03 2.11 1lvmE1 MET 235 HG2 0.00 -0.07 0.14 -0.04 2.63 2.65 1lvmE1 MET 235 HG3 0.00 0.01 -0.06 -0.04 2.56 2.47 1lvmE1 MET 235 HE3 0.00 0.01 -0.00 -0.04 2.10 2.06 1lvmE1 ASN 236 H 0.00 0.03 -0.28 -0.55 8.53 7.73 1lvmE1 ASN 236 HA 0.00 0.02 0.11 -0.75 4.76 4.14