============================================================================= 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 ============================================================================= 3mazB1 ASN 134 HA 0.00 -0.10 0.21 -0.75 4.76 4.11 3mazB1 ASN 134 HB2 0.00 -0.03 0.03 -0.04 2.88 2.84 3mazB1 ASN 134 HB3 0.00 0.07 -0.08 -0.04 2.79 2.74 3mazB1 ASN 134 HD21 0.00 -0.02 0.01 -0.04 7.03 6.98 3mazB1 ASN 134 HD22 0.00 0.00 0.01 -0.04 7.74 7.71 3mazB1 SER 135 H 0.00 0.10 0.03 -0.55 8.46 8.05 3mazB1 SER 135 HA 0.00 0.27 0.78 -0.75 4.49 4.79 3mazB1 SER 135 HB2 0.00 0.02 0.07 -0.04 3.95 4.00 3mazB1 SER 135 HB3 0.00 0.01 -0.03 -0.04 3.93 3.87 3mazB1 GLU 137 HA 0.00 -0.07 0.24 -0.75 4.29 3.71 3mazB1 GLU 137 HB2 0.00 0.01 0.01 -0.04 2.09 2.07 3mazB1 GLU 137 HB3 0.00 -0.06 0.11 -0.04 1.99 2.00 3mazB1 GLU 137 HG2 0.00 0.03 0.13 -0.04 2.34 2.45 3mazB1 GLU 137 HG3 0.00 0.01 0.06 -0.04 2.34 2.37 3mazB1 ASN 138 H 0.00 0.07 0.12 -0.55 8.53 8.17 3mazB1 ASN 138 HA 0.00 0.23 0.75 -0.75 4.76 4.99 3mazB1 ASN 138 HB2 0.00 -0.01 0.18 -0.04 2.88 3.01 3mazB1 ASN 138 HB3 0.00 0.06 -0.06 -0.04 2.79 2.75 3mazB1 ASN 138 HD21 0.00 -0.02 -0.01 -0.04 7.03 6.96 3mazB1 ASN 138 HD22 0.00 0.01 0.01 -0.04 7.74 7.72 3mazB1 VAL 139 H 0.00 0.16 0.04 -0.55 8.24 7.89 3mazB1 VAL 139 HA 0.00 0.18 0.87 -0.75 4.13 4.43 3mazB1 VAL 139 HB 0.00 -0.04 0.07 -0.04 2.12 2.11 3mazB1 VAL 139 HG13 0.00 0.01 -0.16 -0.04 0.97 0.78 3mazB1 VAL 139 HG23 0.00 -0.01 -0.16 -0.04 0.95 0.74 3mazB1 LEU 140 H 0.00 0.18 0.10 -0.55 8.37 8.10 3mazB1 LEU 140 HA 0.00 0.13 0.74 -0.75 4.35 4.47 3mazB1 LEU 140 HB2 0.00 -0.02 0.09 -0.04 1.64 1.67 3mazB1 LEU 140 HB3 0.00 0.04 -0.09 -0.04 1.64 1.55 3mazB1 LEU 140 HG 0.00 -0.00 -0.13 -0.04 1.64 1.47 3mazB1 LEU 140 HD13 0.00 0.00 -0.04 -0.04 0.93 0.85 3mazB1 LEU 140 HD23 0.00 0.02 0.01 -0.04 0.89 0.87 3mazB1 ILE 141 H 0.00 0.17 0.14 -0.55 8.25 8.01 3mazB1 ILE 141 HA 0.00 0.15 0.85 -0.75 4.18 4.43 3mazB1 ILE 141 HB 0.00 -0.01 0.09 -0.04 1.89 1.93 3mazB1 ILE 141 HG12 0.00 0.02 -0.19 -0.04 1.49 1.28 3mazB1 ILE 141 HG13 0.00 0.00 -0.04 -0.04 1.21 1.13 3mazB1 ILE 141 HG23 0.00 -0.01 -0.18 -0.04 0.93 0.70 3mazB1 ILE 141 HD13 0.00 0.03 -0.10 -0.04 0.88 0.76 3mazB1 ALA 142 H 0.00 0.23 0.19 -0.55 8.40 8.27 3mazB1 ALA 142 HA 0.00 0.15 0.82 -0.75 4.34 4.55 3mazB1 ALA 142 HB3 0.00 0.02 -0.01 -0.04 1.41 1.38 3mazB1 LYS 143 H 0.00 0.15 0.04 -0.55 8.42 8.06 3mazB1 LYS 143 HA 0.00 0.20 0.56 -0.75 4.32 4.33 3mazB1 LYS 143 HB2 0.00 0.01 0.09 -0.04 1.87 1.93 3mazB1 LYS 143 HB3 0.00 0.03 0.07 -0.04 1.79 1.85 3mazB1 LYS 143 HG2 0.00 0.04 -0.08 -0.04 1.46 1.38 3mazB1 LYS 143 HG3 0.00 -0.00 -0.04 -0.04 1.46 1.37 3mazB1 LYS 143 HD2 0.00 0.00 0.01 -0.04 1.69 1.66 3mazB1 LYS 143 HD3 0.00 0.01 -0.02 -0.04 1.68 1.63 3mazB1 LYS 143 HE2 0.00 0.01 -0.00 -0.04 2.99 2.96 3mazB1 LYS 143 HE3 0.00 -0.01 0.02 -0.04 2.99 2.96