============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. PHE 12 1.000 -12.279 -6.817 5.937 -99.200 -91.000 PHE 15 1.000 -6.919 -4.011 2.223 -99.200 -91.000 TYR 16 0.840 -5.624 -6.100 7.456 -99.200 -91.000 PHE 25 1.000 9.200 -3.891 -4.106 -99.200 -91.000 HIS 26 0.900 7.736 1.852 -1.413 -99.200 -91.000 HIS 29 0.900 13.805 2.324 0.802 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dt7A12 GLY 70 HA2 -0.01 0.00 0.20 -0.51 4.01 3.69 2dt7A12 GLY 70 HA3 -0.00 -0.13 0.21 -0.51 4.01 3.58 2dt7A12 GLU 71 H -0.00 0.02 0.07 -0.55 8.60 8.14 2dt7A12 GLU 71 HA -0.00 -0.06 0.37 -0.75 4.29 3.85 2dt7A12 GLU 71 HB2 -0.00 0.20 -0.11 -0.04 2.09 2.14 2dt7A12 GLU 71 HB3 -0.00 -0.08 0.13 -0.04 1.99 2.00 2dt7A12 GLU 71 HG2 -0.00 0.01 -0.01 -0.04 2.34 2.30 2dt7A12 GLU 71 HG3 -0.00 -0.04 0.07 -0.04 2.34 2.32 2dt7A12 LEU 72 H -0.00 0.12 0.15 -0.55 8.37 8.09 2dt7A12 LEU 72 HA -0.00 0.02 0.33 -0.75 4.35 3.94 2dt7A12 LEU 72 HB2 -0.01 0.05 -0.28 -0.04 1.64 1.36 2dt7A12 LEU 72 HB3 -0.01 0.04 0.15 -0.04 1.64 1.78 2dt7A12 LEU 72 HG -0.01 0.01 0.02 -0.04 1.64 1.62 2dt7A12 LEU 72 HD13 -0.00 -0.00 0.06 -0.04 0.93 0.94 2dt7A12 LEU 72 HD23 -0.00 -0.01 0.04 -0.04 0.89 0.88 2dt7A12 ASN 73 H -0.00 -0.12 -0.55 -0.55 8.53 7.31 2dt7A12 ASN 73 HA -0.00 0.14 0.50 -0.75 4.76 4.64 2dt7A12 ASN 73 HB2 -0.00 0.09 -0.10 -0.04 2.88 2.83 2dt7A12 ASN 73 HB3 0.00 -0.09 -0.07 -0.04 2.79 2.59 2dt7A12 ASN 73 HD21 0.00 0.05 0.03 -0.04 7.03 7.07 2dt7A12 ASN 73 HD22 0.01 0.01 -0.04 -0.04 7.74 7.67 2dt7A12 ALA 74 H 0.01 0.32 0.14 -0.55 8.40 8.32 2dt7A12 ALA 74 HA 0.01 0.05 0.62 -0.75 4.34 4.26 2dt7A12 ALA 74 HB3 0.01 0.03 -0.05 -0.04 1.41 1.37 2dt7A12 ILE 75 H 0.01 0.09 0.11 -0.55 8.25 7.91 2dt7A12 ILE 75 HA 0.01 0.02 0.41 -0.75 4.18 3.87 2dt7A12 ILE 75 HB 0.01 0.03 0.11 -0.04 1.89 2.00 2dt7A12 ILE 75 HG12 0.01 -0.00 0.04 -0.04 1.49 1.50 2dt7A12 ILE 75 HG13 0.01 -0.07 0.12 -0.04 1.21 1.23 2dt7A12 ILE 75 HG23 0.01 -0.00 0.03 -0.04 0.93 0.93 2dt7A12 ILE 75 HD13 0.01 0.01 -0.05 -0.04 0.88 0.82 2dt7A12 SER 76 H 0.02 0.03 0.16 -0.55 8.46 8.12 2dt7A12 SER 76 HA 0.03 0.09 0.40 -0.75 4.49 4.27 2dt7A12 SER 76 HB2 0.02 -0.00 0.03 -0.04 3.95 3.96 2dt7A12 SER 76 HB3 0.03 -0.02 0.14 -0.04 3.93 4.04 2dt7A12 GLY 77 H 0.04 0.22 0.20 -0.55 8.43 8.35 2dt7A12 GLY 77 HA2 0.02 0.12 0.44 -0.51 4.01 4.08 2dt7A12 GLY 77 HA3 0.03 0.09 0.24 -0.51 4.01 3.86 2dt7A12 PRO 78 HA 0.02 0.07 0.50 -0.51 4.44 4.51 2dt7A12 PRO 78 HB2 0.01 0.02 0.14 -0.04 2.28 2.41 2dt7A12 PRO 78 HB3 0.01 0.04 0.11 -0.04 2.02 2.14 2dt7A12 PRO 78 HG2 0.01 0.03 0.17 -0.04 2.03 2.20 2dt7A12 PRO 78 HG3 0.01 0.06 0.10 -0.04 2.03 2.16 2dt7A12 PRO 78 HD2 0.02 0.14 0.16 -0.04 3.68 3.96 2dt7A12 PRO 78 HD3 0.02 0.14 0.16 -0.04 3.65 3.93 2dt7A12 ASN 79 H 0.03 0.39 0.28 -0.55 8.53 8.70 2dt7A12 ASN 79 HA 0.02 0.12 0.72 -0.75 4.76 4.87 2dt7A12 ASN 79 HB2 0.07 0.08 -0.06 -0.04 2.88 2.94 2dt7A12 ASN 79 HB3 0.10 -0.22 -0.01 -0.04 2.79 2.62 2dt7A12 ASN 79 HD21 0.05 -0.04 -0.32 -0.04 7.03 6.68 2dt7A12 ASN 79 HD22 0.04 0.06 -0.13 -0.04 7.74 7.67 2dt7A12 GLU 80 H -0.04 0.25 0.13 -0.55 8.60 8.39 2dt7A12 GLU 80 HA -0.03 0.11 0.44 -0.75 4.29 4.06 2dt7A12 GLU 80 HB2 -0.23 0.07 0.08 -0.04 2.09 1.97 2dt7A12 GLU 80 HB3 -0.13 0.07 0.14 -0.04 1.99 2.02 2dt7A12 GLU 80 HG2 -0.22 -0.16 0.19 -0.04 2.34 2.11 2dt7A12 GLU 80 HG3 -0.70 0.06 0.04 -0.04 2.34 1.70 2dt7A12 PHE 81 H -0.01 0.13 -0.03 -0.55 8.34 7.88 2dt7A12 PHE 81 HA 0.02 0.11 0.41 -0.75 4.62 4.40 2dt7A12 PHE 81 HB2 0.07 -0.01 0.08 -0.04 3.15 3.24 2dt7A12 PHE 81 HB3 0.16 0.08 -0.01 -0.04 3.06 3.25 2dt7A12 PHE 81 HD2 -0.06 0.00 0.03 -0.04 7.28 7.21 2dt7A12 PHE 81 HE2 -0.10 0.03 0.00 -0.04 7.38 7.28 2dt7A12 PHE 81 HZ -0.05 0.03 0.00 -0.04 7.32 7.26 2dt7A12 ALA 82 H 0.20 0.03 -0.36 -0.55 8.40 7.73 2dt7A12 ALA 82 HA 0.24 0.10 0.44 -0.75 4.34 4.37 2dt7A12 ALA 82 HB3 0.11 0.04 0.10 -0.04 1.41 1.62 2dt7A12 GLU 83 H 0.11 0.56 0.04 -0.55 8.60 8.77 2dt7A12 GLU 83 HA 0.09 0.04 0.48 -0.75 4.29 4.14 2dt7A12 GLU 83 HB2 0.06 0.01 0.17 -0.04 2.09 2.29 2dt7A12 GLU 83 HB3 0.07 0.06 0.16 -0.04 1.99 2.24 2dt7A12 GLU 83 HG2 0.04 0.01 0.02 -0.04 2.34 2.37 2dt7A12 GLU 83 HG3 0.06 0.00 -0.05 -0.04 2.34 2.32 2dt7A12 PHE 84 H 0.22 0.50 -0.18 -0.55 8.34 8.32 2dt7A12 PHE 84 HA -0.02 0.02 0.41 -0.75 4.62 4.28 2dt7A12 PHE 84 HB2 -0.05 0.04 0.12 -0.04 3.15 3.22 2dt7A12 PHE 84 HB3 -0.09 0.06 0.21 -0.04 3.06 3.19 2dt7A12 PHE 84 HD2 -0.31 0.01 0.02 -0.04 7.28 6.95 2dt7A12 PHE 84 HE2 -0.11 0.01 -0.01 -0.04 7.38 7.23 2dt7A12 PHE 84 HZ -0.03 0.02 -0.01 -0.04 7.32 7.25 2dt7A12 TYR 85 H 0.14 0.51 -0.11 -0.55 8.29 8.27 2dt7A12 TYR 85 HA -0.23 0.00 0.48 -0.75 4.56 4.06 2dt7A12 TYR 85 HB2 0.05 0.16 0.20 -0.04 3.06 3.42 2dt7A12 TYR 85 HB3 -0.02 -0.02 0.05 -0.04 2.98 2.95 2dt7A12 TYR 85 HD2 0.00 0.02 0.04 -0.04 7.15 7.17 2dt7A12 TYR 85 HE2 -0.03 -0.02 -0.00 -0.04 6.85 6.76 2dt7A12 ASN 86 H 0.12 0.41 -0.18 -0.55 8.53 8.32 2dt7A12 ASN 86 HA 0.05 0.02 0.42 -0.75 4.76 4.50 2dt7A12 ASN 86 HB2 0.06 0.09 0.22 -0.04 2.88 3.21 2dt7A12 ASN 86 HB3 0.04 -0.03 0.04 -0.04 2.79 2.80 2dt7A12 ASN 86 HD21 0.06 -0.05 -0.01 -0.04 7.03 6.99 2dt7A12 ASN 86 HD22 0.06 -0.05 -0.04 -0.04 7.74 7.66 2dt7A12 ARG 87 H 0.01 0.63 -0.10 -0.55 8.46 8.44 2dt7A12 ARG 87 HA 0.02 -0.00 0.44 -0.75 4.34 4.04 2dt7A12 ARG 87 HB2 -0.03 0.16 0.23 -0.04 1.90 2.21 2dt7A12 ARG 87 HB3 0.00 -0.05 0.04 -0.04 1.80 1.75 2dt7A12 ARG 87 HG2 0.04 -0.02 0.08 -0.04 1.67 1.72 2dt7A12 ARG 87 HG3 0.06 -0.03 0.00 -0.04 1.67 1.66 2dt7A12 ARG 87 HD2 0.04 -0.03 0.01 -0.04 3.22 3.20 2dt7A12 ARG 87 HD3 0.04 -0.00 0.02 -0.04 3.22 3.24 2dt7A12 LEU 88 H -0.18 0.62 -0.04 -0.55 8.37 8.22 2dt7A12 LEU 88 HA -0.11 -0.01 0.39 -0.75 4.35 3.86 2dt7A12 LEU 88 HB2 -0.14 0.09 0.25 -0.04 1.64 1.80 2dt7A12 LEU 88 HB3 -0.08 -0.03 0.01 -0.04 1.64 1.50 2dt7A12 LEU 88 HG -0.87 0.06 0.06 -0.04 1.64 0.85 2dt7A12 LEU 88 HD13 -0.58 -0.02 -0.05 -0.04 0.93 0.24 2dt7A12 LEU 88 HD23 -0.15 -0.01 0.02 -0.04 0.89 0.70 2dt7A12 LYS 89 H -0.00 0.66 -0.08 -0.55 8.42 8.45 2dt7A12 LYS 89 HA 0.01 -0.05 0.39 -0.75 4.32 3.92 2dt7A12 LYS 89 HB2 0.01 -0.01 0.13 -0.04 1.87 1.96 2dt7A12 LYS 89 HB3 0.02 0.20 0.19 -0.04 1.79 2.15 2dt7A12 LYS 89 HG2 0.01 0.01 -0.27 -0.04 1.46 1.17 2dt7A12 LYS 89 HG3 0.00 -0.06 0.02 -0.04 1.46 1.38 2dt7A12 LYS 89 HD2 0.01 0.02 0.01 -0.04 1.69 1.69 2dt7A12 LYS 89 HD3 0.00 -0.02 -0.02 -0.04 1.68 1.60 2dt7A12 LYS 89 HE2 -0.01 -0.01 0.00 -0.04 2.99 2.93 2dt7A12 LYS 89 HE3 -0.00 0.02 0.00 -0.04 2.99 2.97 2dt7A12 GLN 90 H 0.02 0.46 -0.24 -0.55 8.47 8.17 2dt7A12 GLN 90 HA 0.04 -0.02 0.41 -0.75 4.36 4.04 2dt7A12 GLN 90 HB2 0.04 0.14 0.24 -0.04 2.15 2.53 2dt7A12 GLN 90 HB3 0.07 0.02 0.16 -0.04 2.02 2.23 2dt7A12 GLN 90 HG2 0.04 -0.03 0.07 -0.04 2.40 2.44 2dt7A12 GLN 90 HG3 0.04 -0.03 0.04 -0.04 2.39 2.41 2dt7A12 GLN 90 HE21 0.06 -0.02 0.00 -0.04 6.97 6.97 2dt7A12 GLN 90 HE22 0.12 -0.01 -0.01 -0.04 7.69 7.75 2dt7A12 ILE 91 H 0.06 0.46 -0.04 -0.55 8.25 8.18 2dt7A12 ILE 91 HA 0.20 0.01 0.38 -0.75 4.18 4.01 2dt7A12 ILE 91 HB 0.05 0.11 0.16 -0.04 1.89 2.17 2dt7A12 ILE 91 HG12 0.05 -0.05 0.04 -0.04 1.49 1.49 2dt7A12 ILE 91 HG13 0.05 0.16 0.12 -0.04 1.21 1.49 2dt7A12 ILE 91 HG23 0.10 -0.02 0.02 -0.04 0.93 0.99 2dt7A12 ILE 91 HD13 0.01 -0.03 -0.01 -0.04 0.88 0.81 2dt7A12 LYS 92 H 0.06 0.55 -0.06 -0.55 8.42 8.41 2dt7A12 LYS 92 HA 0.08 -0.01 0.36 -0.75 4.32 4.00 2dt7A12 LYS 92 HB2 0.03 0.06 0.18 -0.04 1.87 2.09 2dt7A12 LYS 92 HB3 0.02 -0.04 0.03 -0.04 1.79 1.76 2dt7A12 LYS 92 HG2 0.02 -0.04 0.02 -0.04 1.46 1.41 2dt7A12 LYS 92 HG3 0.01 0.08 -0.18 -0.04 1.46 1.33 2dt7A12 LYS 92 HD2 0.00 -0.01 -0.02 -0.04 1.69 1.62 2dt7A12 LYS 92 HD3 0.01 -0.01 -0.01 -0.04 1.68 1.63 2dt7A12 LYS 92 HE2 0.00 0.00 -0.04 -0.04 2.99 2.91 2dt7A12 LYS 92 HE3 0.01 -0.03 -0.09 -0.04 2.99 2.84 2dt7A12 GLU 93 H 0.05 0.62 0.04 -0.55 8.60 8.76 2dt7A12 GLU 93 HA 0.01 -0.03 0.40 -0.75 4.29 3.91 2dt7A12 GLU 93 HB2 0.00 0.15 0.12 -0.04 2.09 2.32 2dt7A12 GLU 93 HB3 -0.02 -0.05 0.06 -0.04 1.99 1.94 2dt7A12 GLU 93 HG2 0.01 0.01 0.13 -0.04 2.34 2.45 2dt7A12 GLU 93 HG3 0.00 -0.01 -0.00 -0.04 2.34 2.28 2dt7A12 PHE 94 H 0.16 0.39 -0.34 -0.55 8.34 8.01 2dt7A12 PHE 94 HA -0.05 -0.02 0.40 -0.75 4.62 4.20 2dt7A12 PHE 94 HB2 -0.02 0.11 0.18 -0.04 3.15 3.39 2dt7A12 PHE 94 HB3 -0.12 0.04 0.14 -0.04 3.06 3.08 2dt7A12 PHE 94 HD2 -0.11 0.04 -0.04 -0.04 7.28 7.14 2dt7A12 PHE 94 HE2 -0.04 -0.03 0.01 -0.04 7.38 7.28 2dt7A12 PHE 94 HZ -0.03 -0.04 0.00 -0.04 7.32 7.22 2dt7A12 HIS 95 H 0.20 0.45 -0.04 -0.55 8.41 8.48 2dt7A12 HIS 95 HA 0.18 0.08 0.55 -0.75 4.63 4.69 2dt7A12 HIS 95 HB2 0.02 0.08 0.14 -0.04 3.26 3.46 2dt7A12 HIS 95 HB3 -0.02 -0.06 0.05 -0.04 3.20 3.12 2dt7A12 HIS 95 HD2 0.03 0.19 0.07 -0.04 6.97 7.22 2dt7A12 HIS 95 HE1 -0.01 -0.04 -0.00 -0.04 7.75 7.65 2dt7A12 ARG 96 H 0.04 0.40 -0.12 -0.55 8.46 8.23 2dt7A12 ARG 96 HA -0.12 -0.02 0.41 -0.75 4.34 3.86 2dt7A12 ARG 96 HB2 -0.00 0.09 0.01 -0.04 1.90 1.95 2dt7A12 ARG 96 HB3 -0.02 0.02 0.11 -0.04 1.80 1.88 2dt7A12 ARG 96 HG2 -0.02 -0.07 -0.03 -0.04 1.67 1.51 2dt7A12 ARG 96 HG3 -0.03 -0.01 -0.04 -0.04 1.67 1.54 2dt7A12 ARG 96 HD2 -0.02 0.00 -0.03 -0.04 3.22 3.14 2dt7A12 ARG 96 HD3 -0.02 -0.06 -0.01 -0.04 3.22 3.09 2dt7A12 LYS 97 H -0.02 0.58 -0.13 -0.55 8.42 8.30 2dt7A12 LYS 97 HA 0.00 -0.06 0.50 -0.75 4.32 4.01 2dt7A12 LYS 97 HB2 -0.04 0.04 0.15 -0.04 1.87 1.98 2dt7A12 LYS 97 HB3 -0.03 0.08 0.19 -0.04 1.79 1.98 2dt7A12 LYS 97 HG2 -0.06 -0.06 -0.03 -0.04 1.46 1.28 2dt7A12 LYS 97 HG3 -0.01 0.01 -0.04 -0.04 1.46 1.39 2dt7A12 LYS 97 HD2 -0.03 -0.00 0.01 -0.04 1.69 1.63 2dt7A12 LYS 97 HD3 -0.06 -0.01 0.00 -0.04 1.68 1.57 2dt7A12 LYS 97 HE2 -0.05 -0.02 -0.02 -0.04 2.99 2.85 2dt7A12 LYS 97 HE3 -0.02 0.00 -0.02 -0.04 2.99 2.91 2dt7A12 HIS 98 H 0.10 0.19 0.26 -0.55 8.41 8.41 2dt7A12 HIS 98 HA 0.01 0.14 0.76 -0.75 4.63 4.79 2dt7A12 HIS 98 HB2 0.02 0.00 0.03 -0.04 3.26 3.28 2dt7A12 HIS 98 HB3 0.02 0.01 0.02 -0.04 3.20 3.21 2dt7A12 HIS 98 HD2 0.04 -0.12 0.03 -0.04 6.97 6.87 2dt7A12 HIS 98 HE1 0.07 -0.11 0.09 -0.04 7.75 7.75 2dt7A12 PRO 99 HA 0.02 0.06 0.40 -0.51 4.44 4.41 2dt7A12 PRO 99 HB2 -0.01 -0.13 0.06 -0.04 2.28 2.17 2dt7A12 PRO 99 HB3 -0.01 0.03 0.10 -0.04 2.02 2.10 2dt7A12 PRO 99 HG2 -0.04 0.22 -0.01 -0.04 2.03 2.15 2dt7A12 PRO 99 HG3 -0.05 0.02 0.07 -0.04 2.03 2.02 2dt7A12 PRO 99 HD2 -0.16 0.12 0.20 -0.04 3.68 3.80 2dt7A12 PRO 99 HD3 -0.04 0.15 0.16 -0.04 3.65 3.87 2dt7A12 ASN 100 H 0.01 0.09 0.14 -0.55 8.53 8.22 2dt7A12 ASN 100 HA 0.02 0.10 0.35 -0.75 4.76 4.47 2dt7A12 ASN 100 HB2 0.00 -0.05 0.07 -0.04 2.88 2.87 2dt7A12 ASN 100 HB3 0.01 0.02 0.03 -0.04 2.79 2.81 2dt7A12 ASN 100 HD21 0.00 0.01 0.03 -0.04 7.03 7.04 2dt7A12 ASN 100 HD22 0.00 0.01 0.03 -0.04 7.74 7.74 2dt7A12 GLU 101 H 0.00 0.00 -0.16 -0.55 8.60 7.89 2dt7A12 GLU 101 HA 0.00 0.05 0.50 -0.75 4.29 4.09 2dt7A12 GLU 101 HB2 -0.01 -0.06 0.10 -0.04 2.09 2.08 2dt7A12 GLU 101 HB3 -0.01 0.08 -0.05 -0.04 1.99 1.97 2dt7A12 GLU 101 HG2 -0.00 0.05 0.00 -0.04 2.34 2.36 2dt7A12 GLU 101 HG3 -0.00 -0.07 -0.01 -0.04 2.34 2.22 2dt7A12 ILE 102 H 0.01 0.15 0.21 -0.55 8.25 8.07 2dt7A12 ILE 102 HA 0.02 0.11 0.53 -0.75 4.18 4.08 2dt7A12 ILE 102 HB 0.02 -0.04 0.09 -0.04 1.89 1.92 2dt7A12 ILE 102 HG12 0.05 0.09 -0.03 -0.04 1.49 1.56 2dt7A12 ILE 102 HG13 0.02 0.16 0.11 -0.04 1.21 1.46 2dt7A12 ILE 102 HG23 0.04 -0.00 -0.03 -0.04 0.93 0.90 2dt7A12 ILE 102 HD13 0.03 -0.02 0.03 -0.04 0.88 0.88 2dt7A12 CYS 103 H 0.01 0.13 0.14 -0.55 8.50 8.23 2dt7A12 CYS 103 HA -0.00 0.02 0.37 -0.75 4.58 4.21 2dt7A12 CYS 103 HB2 0.01 0.06 -0.08 -0.04 2.97 2.92 2dt7A12 CYS 103 HB3 0.01 0.00 0.12 -0.04 2.97 3.06 2dt7A12 VAL 104 H -0.03 0.06 0.00 -0.55 8.24 7.72 2dt7A12 VAL 104 HA -0.01 0.14 0.59 -0.75 4.13 4.10 2dt7A12 VAL 104 HB -0.02 0.04 0.01 -0.04 2.12 2.12 2dt7A12 VAL 104 HG13 -0.02 0.02 -0.10 -0.04 0.97 0.84 2dt7A12 VAL 104 HG23 -0.05 -0.00 0.03 -0.04 0.95 0.89 2dt7A12 PRO 105 HA -0.00 0.12 0.35 -0.51 4.44 4.40 2dt7A12 PRO 105 HB2 -0.00 -0.05 0.14 -0.04 2.28 2.33 2dt7A12 PRO 105 HB3 -0.00 0.06 0.12 -0.04 2.02 2.15 2dt7A12 PRO 105 HG2 -0.00 0.03 -0.01 -0.04 2.03 2.00 2dt7A12 PRO 105 HG3 -0.00 0.04 0.07 -0.04 2.03 2.09 2dt7A12 PRO 105 HD2 -0.01 0.07 0.17 -0.04 3.68 3.88 2dt7A12 PRO 105 HD3 -0.00 0.19 0.20 -0.04 3.65 3.99 2dt7A12 MET 106 H -0.00 0.12 0.12 -0.55 8.47 8.16 2dt7A12 MET 106 HA -0.00 0.00 0.30 -0.75 4.52 4.07 2dt7A12 MET 106 HB2 -0.00 -0.06 -0.13 -0.04 2.15 1.91 2dt7A12 MET 106 HB3 -0.00 0.12 -0.06 -0.04 2.03 2.04 2dt7A12 MET 106 HG2 -0.00 0.01 0.14 -0.04 2.63 2.74 2dt7A12 MET 106 HG3 -0.00 -0.02 0.08 -0.04 2.56 2.57 2dt7A12 MET 106 HE3 -0.00 -0.01 0.02 -0.04 2.10 2.07 2dt7A12 SER 107 H -0.00 0.11 -0.70 -0.55 8.46 7.32 2dt7A12 SER 107 HA -0.00 0.18 0.56 -0.75 4.49 4.47 2dt7A12 SER 107 HB2 -0.01 0.08 0.02 -0.04 3.95 3.99 2dt7A12 SER 107 HB3 -0.01 -0.03 0.04 -0.04 3.93 3.89