============================================================================= 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 ============================================================================= 2igzA14 ASN 1 HA 0.00 -0.04 -0.02 -0.75 4.76 3.95 2igzA14 ASN 1 HB2 0.00 -0.04 0.04 -0.04 2.88 2.83 2igzA14 ASN 1 HB3 0.00 0.02 0.01 -0.04 2.79 2.78 2igzA14 ASN 1 HD21 0.00 -0.02 0.02 -0.04 7.03 6.99 2igzA14 ASN 1 HD22 0.00 -0.04 0.02 -0.04 7.74 7.69 2igzA14 SER 4 H 0.00 0.26 0.10 -0.55 8.46 8.27 2igzA14 SER 4 HA 0.00 -0.00 0.16 -0.75 4.49 3.89 2igzA14 SER 4 HB2 0.00 -0.04 0.02 -0.04 3.95 3.89 2igzA14 SER 4 HB3 0.00 -0.03 0.12 -0.04 3.93 3.97 2igzA14 GLU 5 H 0.00 0.32 0.11 -0.55 8.60 8.49 2igzA14 GLU 5 HA 0.00 0.19 0.52 -0.75 4.29 4.24 2igzA14 GLU 5 HB2 0.00 0.00 0.10 -0.04 2.09 2.15 2igzA14 GLU 5 HB3 0.00 0.06 -0.02 -0.04 1.99 1.99 2igzA14 GLU 5 HG2 0.00 -0.01 -0.03 -0.04 2.34 2.26 2igzA14 GLU 5 HG3 0.00 0.00 0.04 -0.04 2.34 2.34 2igzA14 THR 7 H 0.00 0.12 0.00 -0.55 8.28 7.86 2igzA14 THR 7 HA 0.00 -0.04 0.04 -0.75 4.39 3.64 2igzA14 THR 7 HB 0.00 -0.00 0.04 -0.04 4.32 4.32 2igzA14 THR 7 HG23 0.00 -0.01 0.04 -0.04 1.22 1.20