============================================================================= 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 ============================================================================= 2igzA18 ASN 1 HA 0.00 -0.03 -0.02 -0.75 4.76 3.95 2igzA18 ASN 1 HB2 0.00 -0.05 0.02 -0.04 2.88 2.81 2igzA18 ASN 1 HB3 0.00 -0.00 0.01 -0.04 2.79 2.75 2igzA18 ASN 1 HD21 0.00 -0.03 0.01 -0.04 7.03 6.97 2igzA18 ASN 1 HD22 0.00 -0.05 0.02 -0.04 7.74 7.66 2igzA18 SER 4 H 0.00 0.37 -0.02 -0.55 8.46 8.27 2igzA18 SER 4 HA 0.00 -0.03 0.25 -0.75 4.49 3.95 2igzA18 SER 4 HB2 0.00 -0.10 0.10 -0.04 3.95 3.91 2igzA18 SER 4 HB3 0.00 -0.03 -0.05 -0.04 3.93 3.81 2igzA18 GLU 5 H 0.00 0.11 0.05 -0.55 8.60 8.22 2igzA18 GLU 5 HA 0.00 0.24 0.69 -0.75 4.29 4.46 2igzA18 GLU 5 HB2 0.00 0.03 0.10 -0.04 2.09 2.18 2igzA18 GLU 5 HB3 0.00 0.02 0.03 -0.04 1.99 2.01 2igzA18 GLU 5 HG2 0.00 -0.02 0.08 -0.04 2.34 2.36 2igzA18 GLU 5 HG3 0.00 0.01 0.05 -0.04 2.34 2.36 2igzA18 THR 7 H 0.00 0.12 -0.02 -0.55 8.28 7.83 2igzA18 THR 7 HA 0.00 -0.04 0.05 -0.75 4.39 3.64 2igzA18 THR 7 HB 0.00 0.00 0.04 -0.04 4.32 4.32 2igzA18 THR 7 HG23 0.00 -0.01 0.03 -0.04 1.22 1.19