============================================================================= 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 ============================================================================= 3gz1P1 SER 60 HA 0.00 -0.09 0.22 -0.75 4.49 3.86 3gz1P1 SER 60 HB2 0.00 -0.02 0.06 -0.04 3.95 3.94 3gz1P1 SER 60 HB3 0.00 -0.01 0.05 -0.04 3.93 3.93 3gz1P1 ASN 61 H 0.00 0.11 0.11 -0.55 8.53 8.21 3gz1P1 ASN 61 HA 0.00 0.05 0.18 -0.75 4.76 4.24 3gz1P1 ASN 61 HB2 0.00 0.07 0.09 -0.04 2.88 2.99 3gz1P1 ASN 61 HB3 0.00 0.03 0.11 -0.04 2.79 2.89 3gz1P1 ASN 61 HD21 0.00 0.01 -0.04 -0.04 7.03 6.96 3gz1P1 ASN 61 HD22 0.00 0.04 -0.02 -0.04 7.74 7.72 3gz1P1 ILE 62 H 0.00 0.13 0.17 -0.55 8.25 8.01 3gz1P1 ILE 62 HA 0.00 0.21 0.50 -0.75 4.18 4.13 3gz1P1 ILE 62 HB 0.00 0.01 0.08 -0.04 1.89 1.94 3gz1P1 ILE 62 HG12 0.00 -0.01 0.08 -0.04 1.49 1.53 3gz1P1 ILE 62 HG13 0.00 -0.01 -0.08 -0.04 1.21 1.08 3gz1P1 ILE 62 HG23 0.00 0.02 0.03 -0.04 0.93 0.94 3gz1P1 ILE 62 HD13 0.00 0.00 -0.01 -0.04 0.88 0.83 3gz1P1 LEU 63 H 0.00 0.00 -0.16 -0.55 8.37 7.66 3gz1P1 LEU 63 HA 0.00 0.13 0.50 -0.75 4.35 4.23 3gz1P1 LEU 63 HB2 0.00 -0.05 0.01 -0.04 1.64 1.57 3gz1P1 LEU 63 HB3 0.00 0.04 0.09 -0.04 1.64 1.73 3gz1P1 LEU 63 HG 0.00 0.03 0.03 -0.04 1.64 1.66 3gz1P1 LEU 63 HD13 0.00 0.00 -0.08 -0.04 0.93 0.81 3gz1P1 LEU 63 HD23 0.00 -0.00 0.00 -0.04 0.89 0.85 3gz1P1 ILE 64 H 0.00 0.26 -0.62 -0.55 8.25 7.34 3gz1P1 ILE 64 HA 0.00 0.15 0.75 -0.75 4.18 4.33 3gz1P1 ILE 64 HB 0.00 0.01 0.12 -0.04 1.89 1.98 3gz1P1 ILE 64 HG12 0.00 0.06 0.00 -0.04 1.49 1.51 3gz1P1 ILE 64 HG13 0.00 -0.12 -0.29 -0.04 1.21 0.75 3gz1P1 ILE 64 HG23 0.00 0.03 -0.02 -0.04 0.93 0.90 3gz1P1 ILE 64 HD13 0.00 -0.02 -0.00 -0.04 0.88 0.82 3gz1P1 PRO 65 HA 0.00 0.10 0.55 -0.51 4.44 4.58 3gz1P1 PRO 65 HB2 0.00 -0.02 -0.10 -0.04 2.28 2.12 3gz1P1 PRO 65 HB3 0.00 0.02 0.06 -0.04 2.02 2.06 3gz1P1 PRO 65 HG2 0.00 0.00 0.01 -0.04 2.03 2.00 3gz1P1 PRO 65 HG3 0.00 0.05 -0.02 -0.04 2.03 2.02 3gz1P1 PRO 65 HD2 0.00 0.06 0.11 -0.04 3.68 3.81 3gz1P1 PRO 65 HD3 0.00 0.21 -0.25 -0.04 3.65 3.57 3gz1P1 GLU 66 H 0.00 0.20 0.14 -0.55 8.60 8.39 3gz1P1 GLU 66 HA 0.00 0.13 0.76 -0.75 4.29 4.43 3gz1P1 GLU 66 HB2 0.00 0.07 -0.01 -0.04 2.09 2.11 3gz1P1 GLU 66 HB3 0.00 -0.05 0.14 -0.04 1.99 2.04 3gz1P1 GLU 66 HG2 0.00 0.02 -0.29 -0.04 2.34 2.02 3gz1P1 GLU 66 HG3 0.00 0.01 -0.01 -0.04 2.34 2.30 3gz1P1 LEU 67 H 0.00 0.16 0.08 -0.55 8.37 8.06 3gz1P1 LEU 67 HA 0.00 0.07 0.42 -0.75 4.35 4.08 3gz1P1 LEU 67 HB2 0.00 0.02 -0.01 -0.04 1.64 1.61 3gz1P1 LEU 67 HB3 0.00 0.03 0.02 -0.04 1.64 1.65 3gz1P1 LEU 67 HG 0.00 0.04 -0.15 -0.04 1.64 1.49 3gz1P1 LEU 67 HD13 0.00 -0.00 -0.04 -0.04 0.93 0.85 3gz1P1 LEU 67 HD23 0.00 -0.00 -0.19 -0.04 0.89 0.66 3gz1P1 LYS 68 H 0.00 0.08 0.12 -0.55 8.42 8.06 3gz1P1 LYS 68 HA 0.00 0.01 0.51 -0.75 4.32 4.09 3gz1P1 LYS 68 HB2 0.00 -0.05 0.15 -0.04 1.87 1.93 3gz1P1 LYS 68 HB3 0.00 0.09 -0.04 -0.04 1.79 1.80 3gz1P1 LYS 68 HG2 0.00 0.01 0.08 -0.04 1.46 1.51 3gz1P1 LYS 68 HG3 0.00 -0.01 0.07 -0.04 1.46 1.48 3gz1P1 LYS 68 HD2 0.00 -0.01 0.02 -0.04 1.69 1.66 3gz1P1 LYS 68 HD3 0.00 -0.02 0.02 -0.04 1.68 1.64 3gz1P1 LYS 68 HE2 0.00 0.10 -0.05 -0.04 2.99 3.00 3gz1P1 LYS 68 HE3 0.00 -0.01 -0.00 -0.04 2.99 2.94 3gz1P1 ALA 69 H 0.00 0.04 0.16 -0.55 8.40 8.05 3gz1P1 ALA 69 HA 0.00 0.11 0.43 -0.75 4.34 4.13 3gz1P1 ALA 69 HB3 0.00 -0.00 0.10 -0.04 1.41 1.47 3gz1P1 PRO 70 HA 0.00 0.04 0.40 -0.51 4.44 4.37 3gz1P1 PRO 70 HB2 0.00 0.06 -0.10 -0.04 2.28 2.20 3gz1P1 PRO 70 HB3 0.00 0.01 0.07 -0.04 2.02 2.06 3gz1P1 PRO 70 HG2 0.00 0.03 0.04 -0.04 2.03 2.06 3gz1P1 PRO 70 HG3 0.00 0.05 0.07 -0.04 2.03 2.11 3gz1P1 PRO 70 HD2 0.00 0.07 0.13 -0.04 3.68 3.83 3gz1P1 PRO 70 HD3 0.00 0.13 0.20 -0.04 3.65 3.94 3gz1P1 LYS 71 H 0.00 0.08 0.11 -0.55 8.42 8.06 3gz1P1 LYS 71 HA 0.00 -0.00 0.33 -0.75 4.32 3.89 3gz1P1 LYS 71 HB2 0.00 -0.00 0.03 -0.04 1.87 1.86 3gz1P1 LYS 71 HB3 0.00 0.02 0.12 -0.04 1.79 1.89 3gz1P1 LYS 71 HG2 0.00 -0.04 0.13 -0.04 1.46 1.51 3gz1P1 LYS 71 HG3 0.00 0.01 0.05 -0.04 1.46 1.48 3gz1P1 LYS 71 HD2 0.00 0.01 0.08 -0.04 1.69 1.73 3gz1P1 LYS 71 HD3 0.00 0.00 0.04 -0.04 1.68 1.69 3gz1P1 LYS 71 HE2 0.00 -0.00 0.02 -0.04 2.99 2.97 3gz1P1 LYS 71 HE3 0.00 0.00 0.03 -0.04 2.99 2.99 3gz1P1 SER 72 H 0.00 0.10 0.12 -0.55 8.46 8.13 3gz1P1 SER 72 HA 0.00 0.11 0.15 -0.75 4.49 4.00 3gz1P1 SER 72 HB2 0.00 0.03 0.10 -0.04 3.95 4.04 3gz1P1 SER 72 HB3 0.00 -0.03 0.07 -0.04 3.93 3.93