============================================================================= 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 ============================================================================= 2igzA10 ASN 1 HA 0.00 0.01 0.03 -0.75 4.76 4.05 2igzA10 ASN 1 HB2 0.00 -0.01 0.02 -0.04 2.88 2.85 2igzA10 ASN 1 HB3 0.00 0.01 0.00 -0.04 2.79 2.76 2igzA10 ASN 1 HD21 0.00 -0.05 -0.00 -0.04 7.03 6.94 2igzA10 ASN 1 HD22 0.00 0.36 0.01 -0.04 7.74 8.07 2igzA10 SER 4 H 0.00 0.56 -0.07 -0.55 8.46 8.40 2igzA10 SER 4 HA 0.00 0.01 -0.19 -0.75 4.49 3.56 2igzA10 SER 4 HB2 0.00 -0.12 0.13 -0.04 3.95 3.92 2igzA10 SER 4 HB3 0.00 -0.03 -0.02 -0.04 3.93 3.84 2igzA10 GLU 5 H 0.00 0.18 0.12 -0.55 8.60 8.35 2igzA10 GLU 5 HA 0.00 0.25 0.70 -0.75 4.29 4.49 2igzA10 GLU 5 HB2 0.00 0.03 0.12 -0.04 2.09 2.19 2igzA10 GLU 5 HB3 0.00 0.03 0.11 -0.04 1.99 2.09 2igzA10 GLU 5 HG2 0.00 -0.02 0.11 -0.04 2.34 2.39 2igzA10 GLU 5 HG3 0.00 0.00 0.10 -0.04 2.34 2.40 2igzA10 THR 7 H 0.00 0.12 0.02 -0.55 8.28 7.87 2igzA10 THR 7 HA 0.00 -0.08 0.07 -0.75 4.39 3.62 2igzA10 THR 7 HB 0.00 -0.04 0.03 -0.04 4.32 4.27 2igzA10 THR 7 HG23 0.00 -0.02 0.01 -0.04 1.22 1.17