============================================================================= 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 ============================================================================= 1z7kC1 THR 1 HA 0.00 -0.01 0.15 -0.75 4.39 3.78 1z7kC1 THR 1 HB 0.00 0.03 -0.01 -0.04 4.32 4.30 1z7kC1 THR 1 HG23 0.00 -0.00 0.04 -0.04 1.22 1.22 1z7kC1 ASN 2 H 0.00 0.21 0.05 -0.55 8.53 8.24 1z7kC1 ASN 2 HA 0.00 0.08 0.28 -0.75 4.76 4.37 1z7kC1 ASN 2 HB2 0.00 0.02 0.16 -0.04 2.88 3.02 1z7kC1 ASN 2 HB3 0.00 -0.15 0.21 -0.04 2.79 2.81 1z7kC1 ASN 2 HD21 0.00 0.02 0.06 -0.04 7.03 7.07 1z7kC1 ASN 2 HD22 0.00 -0.02 0.06 -0.04 7.74 7.73 1z7kC1 GLU 3 H 0.00 0.00 0.13 -0.55 8.60 8.19 1z7kC1 GLU 3 HA 0.00 -0.01 0.30 -0.75 4.29 3.83 1z7kC1 GLU 3 HB2 0.00 0.36 0.46 -0.04 2.09 2.86 1z7kC1 GLU 3 HB3 0.00 -0.03 0.23 -0.04 1.99 2.14 1z7kC1 GLU 3 HG2 0.00 -0.08 -0.08 -0.04 2.34 2.14 1z7kC1 GLU 3 HG3 0.00 0.08 -0.14 -0.04 2.34 2.23 1z7kC1 GLU 4 H 0.00 -0.01 0.03 -0.55 8.60 8.08 1z7kC1 GLU 4 HA 0.00 0.03 0.15 -0.75 4.29 3.72 1z7kC1 GLU 4 HB2 0.00 0.14 -0.04 -0.04 2.09 2.15 1z7kC1 GLU 4 HB3 0.00 0.02 0.04 -0.04 1.99 2.01 1z7kC1 GLU 4 HG2 0.00 0.02 -0.01 -0.04 2.34 2.31 1z7kC1 GLU 4 HG3 0.00 -0.12 -0.08 -0.04 2.34 2.11