============================================================================= 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 ============================================================================= 2igzA15 ASN 1 HA 0.00 0.00 -0.03 -0.75 4.76 3.98 2igzA15 ASN 1 HB2 0.00 -0.01 0.06 -0.04 2.88 2.88 2igzA15 ASN 1 HB3 0.00 0.02 0.02 -0.04 2.79 2.79 2igzA15 ASN 1 HD21 0.00 -0.04 0.01 -0.04 7.03 6.96 2igzA15 ASN 1 HD22 0.00 0.40 0.02 -0.04 7.74 8.11 2igzA15 SER 4 H 0.00 0.16 0.10 -0.55 8.46 8.17 2igzA15 SER 4 HA 0.00 0.07 -0.15 -0.75 4.49 3.66 2igzA15 SER 4 HB2 0.00 -0.06 0.08 -0.04 3.95 3.93 2igzA15 SER 4 HB3 0.00 -0.04 0.10 -0.04 3.93 3.95 2igzA15 GLU 5 H 0.00 0.18 0.19 -0.55 8.60 8.43 2igzA15 GLU 5 HA 0.00 0.18 0.52 -0.75 4.29 4.24 2igzA15 GLU 5 HB2 0.00 -0.00 0.10 -0.04 2.09 2.15 2igzA15 GLU 5 HB3 0.00 0.08 -0.05 -0.04 1.99 1.97 2igzA15 GLU 5 HG2 0.00 0.01 -0.04 -0.04 2.34 2.27 2igzA15 GLU 5 HG3 0.00 -0.02 0.04 -0.04 2.34 2.32 2igzA15 THR 7 H 0.00 0.10 0.01 -0.55 8.28 7.84 2igzA15 THR 7 HA 0.00 -0.04 0.06 -0.75 4.39 3.65 2igzA15 THR 7 HB 0.00 -0.01 0.06 -0.04 4.32 4.33 2igzA15 THR 7 HG23 0.00 -0.01 0.04 -0.04 1.22 1.21