============================================================================= 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 ============================================================================= 2z32B1 GLN 40 HA 0.00 0.01 0.07 -0.75 4.36 3.69 2z32B1 GLN 40 HB2 0.00 -0.07 -0.04 -0.04 2.15 2.00 2z32B1 GLN 40 HB3 0.00 -0.08 -0.08 -0.04 2.02 1.82 2z32B1 GLN 40 HG2 0.00 -0.04 -0.34 -0.04 2.40 1.98 2z32B1 GLN 40 HG3 0.00 0.15 -0.34 -0.04 2.39 2.16 2z32B1 GLN 40 HE21 0.00 -0.08 -0.00 -0.04 6.97 6.85 2z32B1 GLN 40 HE22 0.00 0.39 0.07 -0.04 7.69 8.11 2z32B1 ASN 41 H 0.00 0.78 0.06 -0.55 8.53 8.83 2z32B1 ASN 41 HA 0.00 0.04 0.63 -0.75 4.76 4.67 2z32B1 ASN 41 HB2 0.00 0.16 0.10 -0.04 2.88 3.10 2z32B1 ASN 41 HB3 0.00 -0.16 0.18 -0.04 2.79 2.77 2z32B1 ASN 41 HD21 0.00 0.01 0.01 -0.04 7.03 7.01 2z32B1 ASN 41 HD22 0.00 0.09 0.02 -0.04 7.74 7.81 2z32B1 GLU 42 H 0.00 0.21 0.18 -0.55 8.60 8.44 2z32B1 GLU 42 HA 0.00 0.16 0.42 -0.75 4.29 4.12 2z32B1 GLU 42 HB2 0.00 -0.03 0.13 -0.04 2.09 2.15 2z32B1 GLU 42 HB3 0.00 0.01 0.07 -0.04 1.99 2.02 2z32B1 GLU 42 HG2 0.00 0.15 0.01 -0.04 2.34 2.47 2z32B1 GLU 42 HG3 0.00 -0.02 0.03 -0.04 2.34 2.31 2z32B1 GLU 43 H 0.00 0.00 -0.25 -0.55 8.60 7.81 2z32B1 GLU 43 HA 0.00 0.17 0.58 -0.75 4.29 4.29 2z32B1 GLU 43 HB2 0.00 -0.06 0.04 -0.04 2.09 2.03 2z32B1 GLU 43 HB3 0.00 0.05 -0.03 -0.04 1.99 1.97 2z32B1 GLU 43 HG2 0.00 0.05 -0.00 -0.04 2.34 2.35 2z32B1 GLU 43 HG3 0.00 -0.06 0.02 -0.04 2.34 2.26 2z32B1 ASN 44 H 0.00 -0.00 -0.09 -0.55 8.53 7.89 2z32B1 ASN 44 HA 0.00 0.29 0.94 -0.75 4.76 5.24 2z32B1 ASN 44 HB2 0.00 0.03 0.13 -0.04 2.88 3.00 2z32B1 ASN 44 HB3 0.00 0.03 -0.10 -0.04 2.79 2.68 2z32B1 ASN 44 HD21 0.00 0.02 -0.01 -0.04 7.03 7.01 2z32B1 ASN 44 HD22 0.00 0.03 -0.02 -0.04 7.74 7.72 2z32B1 GLY 45 H 0.00 0.35 0.00 -0.55 8.43 8.24 2z32B1 GLY 45 HA2 0.00 0.10 0.27 -0.51 4.01 3.87 2z32B1 GLY 45 HA3 0.00 0.06 0.42 -0.51 4.01 3.98 2z32B1 GLU 46 H 0.00 -0.07 -0.30 -0.55 8.60 7.69 2z32B1 GLU 46 HA 0.00 0.09 0.46 -0.75 4.29 4.09 2z32B1 GLU 46 HB2 0.00 -0.03 0.03 -0.04 2.09 2.05 2z32B1 GLU 46 HB3 0.00 0.00 0.08 -0.04 1.99 2.03 2z32B1 GLU 46 HG2 0.00 0.07 -0.05 -0.04 2.34 2.31 2z32B1 GLU 46 HG3 0.00 -0.06 -0.07 -0.04 2.34 2.18 2z32B1 GLN 47 H 0.00 0.05 0.16 -0.55 8.47 8.14 2z32B1 GLN 47 HA 0.00 0.21 0.40 -0.75 4.36 4.22 2z32B1 GLU 48 H 0.00 0.06 0.06 -0.55 8.60 8.17 2z32B1 GLU 48 HA 0.00 0.03 0.25 -0.75 4.29 3.82