============================================================================= 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. TRP 31 1.040 -10.099 8.549 -0.944 -99.200 -91.000 TRP6 31 1.020 -8.730 7.918 -2.760 -99.200 -91.000 TYR 36 0.840 -1.687 -2.279 3.458 -99.200 -91.000 HIS 46 0.900 11.785 -24.939 -0.738 -99.200 -91.000 PHE 50 1.000 2.979 -15.751 3.808 -99.200 -91.000 PHE 59 1.000 -8.539 4.214 -7.409 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2cpnA12 GLY 143 HA2 -0.00 -0.09 0.17 -0.51 4.01 3.58 2cpnA12 GLY 143 HA3 -0.00 -0.02 0.14 -0.51 4.01 3.62 2cpnA12 SER 144 H -0.00 0.02 0.08 -0.55 8.46 8.01 2cpnA12 SER 144 HA -0.00 -0.02 0.38 -0.75 4.49 4.09 2cpnA12 SER 144 HB2 -0.00 -0.03 0.14 -0.04 3.95 4.02 2cpnA12 SER 144 HB3 -0.00 -0.02 0.08 -0.04 3.93 3.95 2cpnA12 SER 145 H -0.00 0.02 0.20 -0.55 8.46 8.13 2cpnA12 SER 145 HA -0.00 0.19 0.56 -0.75 4.49 4.49 2cpnA12 SER 145 HB2 -0.00 -0.05 0.13 -0.04 3.95 3.98 2cpnA12 SER 145 HB3 -0.00 -0.05 0.01 -0.04 3.93 3.84 2cpnA12 GLY 146 H -0.00 0.21 0.10 -0.55 8.43 8.19 2cpnA12 GLY 146 HA2 -0.00 0.18 0.70 -0.51 4.01 4.38 2cpnA12 GLY 146 HA3 -0.00 0.05 0.36 -0.51 4.01 3.91 2cpnA12 SER 147 H -0.00 0.35 -0.20 -0.55 8.46 8.06 2cpnA12 SER 147 HA -0.00 0.00 0.22 -0.75 4.49 3.96 2cpnA12 SER 147 HB2 -0.00 -0.01 0.18 -0.04 3.95 4.08 2cpnA12 SER 147 HB3 -0.00 -0.01 0.05 -0.04 3.93 3.93 2cpnA12 SER 148 H -0.00 0.00 -0.59 -0.55 8.46 7.32 2cpnA12 SER 148 HA -0.00 0.14 0.84 -0.75 4.49 4.71 2cpnA12 SER 148 HB2 -0.00 -0.02 -0.01 -0.04 3.95 3.88 2cpnA12 SER 148 HB3 -0.00 0.20 -0.10 -0.04 3.93 3.99 2cpnA12 GLY 149 H -0.00 0.22 0.06 -0.55 8.43 8.15 2cpnA12 GLY 149 HA2 -0.00 0.24 0.93 -0.51 4.01 4.67 2cpnA12 GLY 149 HA3 -0.00 0.01 0.20 -0.51 4.01 3.71 2cpnA12 PRO 150 HA -0.00 0.03 0.43 -0.51 4.44 4.39 2cpnA12 PRO 150 HB2 -0.01 0.04 -0.03 -0.04 2.28 2.24 2cpnA12 PRO 150 HB3 -0.01 0.03 0.06 -0.04 2.02 2.07 2cpnA12 PRO 150 HG2 -0.00 0.02 0.14 -0.04 2.03 2.14 2cpnA12 PRO 150 HG3 -0.01 0.06 0.08 -0.04 2.03 2.12 2cpnA12 PRO 150 HD2 -0.00 0.08 0.21 -0.04 3.68 3.92 2cpnA12 PRO 150 HD3 -0.00 0.17 0.17 -0.04 3.65 3.94 2cpnA12 VAL 151 H -0.00 0.16 0.21 -0.55 8.24 8.05 2cpnA12 VAL 151 HA -0.00 0.10 0.76 -0.75 4.13 4.23 2cpnA12 VAL 151 HB -0.00 -0.04 0.14 -0.04 2.12 2.18 2cpnA12 VAL 151 HG13 -0.00 0.05 -0.12 -0.04 0.97 0.86 2cpnA12 VAL 151 HG23 -0.00 0.04 -0.02 -0.04 0.95 0.93 2cpnA12 SER 152 H -0.00 0.13 0.12 -0.55 8.46 8.17 2cpnA12 SER 152 HA -0.00 0.10 0.43 -0.75 4.49 4.26 2cpnA12 SER 152 HB2 -0.00 0.06 0.02 -0.04 3.95 3.99 2cpnA12 SER 152 HB3 -0.00 0.01 0.06 -0.04 3.93 3.96 2cpnA12 PRO 153 HA -0.00 0.03 0.41 -0.51 4.44 4.37 2cpnA12 PRO 153 HB2 -0.00 -0.06 -0.19 -0.04 2.28 1.99 2cpnA12 PRO 153 HB3 -0.00 0.05 0.04 -0.04 2.02 2.06 2cpnA12 PRO 153 HG2 -0.00 0.03 0.06 -0.04 2.03 2.08 2cpnA12 PRO 153 HG3 -0.00 0.04 0.04 -0.04 2.03 2.07 2cpnA12 PRO 153 HD2 -0.00 0.09 0.17 -0.04 3.68 3.90 2cpnA12 PRO 153 HD3 -0.00 0.18 0.17 -0.04 3.65 3.96 2cpnA12 GLN 154 H -0.00 0.15 0.17 -0.55 8.47 8.23 2cpnA12 GLN 154 HA 0.00 0.10 0.36 -0.75 4.36 4.07 2cpnA12 GLN 154 HB2 0.00 -0.05 0.15 -0.04 2.15 2.21 2cpnA12 GLN 154 HB3 0.00 0.01 -0.01 -0.04 2.02 1.98 2cpnA12 GLN 154 HG2 0.00 0.05 0.07 -0.04 2.40 2.48 2cpnA12 GLN 154 HG3 0.00 -0.02 0.04 -0.04 2.39 2.37 2cpnA12 GLN 154 HE21 0.00 0.07 -0.04 -0.04 6.97 6.96 2cpnA12 GLN 154 HE22 0.00 -0.01 -0.03 -0.04 7.69 7.61 2cpnA12 GLN 155 H 0.00 0.07 -0.20 -0.55 8.47 7.79 2cpnA12 GLN 155 HA 0.00 0.18 0.69 -0.75 4.36 4.48 2cpnA12 GLN 155 HB2 0.00 0.08 -0.18 -0.04 2.15 2.01 2cpnA12 GLN 155 HB3 0.00 -0.05 0.05 -0.04 2.02 1.98 2cpnA12 GLN 155 HG2 0.00 -0.06 -0.34 -0.04 2.40 1.96 2cpnA12 GLN 155 HG3 0.00 0.06 -0.07 -0.04 2.39 2.34 2cpnA12 GLN 155 HE21 0.00 -0.04 -0.07 -0.04 6.97 6.83 2cpnA12 GLN 155 HE22 0.00 -0.00 -0.04 -0.04 7.69 7.61 2cpnA12 SER 156 H 0.00 0.26 -0.01 -0.55 8.46 8.16 2cpnA12 SER 156 HA 0.00 0.10 0.67 -0.75 4.49 4.50 2cpnA12 SER 156 HB2 0.00 0.08 0.06 -0.04 3.95 4.06 2cpnA12 SER 156 HB3 0.00 0.01 0.19 -0.04 3.93 4.09 2cpnA12 GLU 157 H 0.00 0.28 0.10 -0.55 8.60 8.43 2cpnA12 GLU 157 HA 0.00 0.15 0.51 -0.75 4.29 4.20 2cpnA12 GLU 157 HB2 0.00 0.03 0.06 -0.04 2.09 2.14 2cpnA12 GLU 157 HB3 0.00 -0.01 0.17 -0.04 1.99 2.11 2cpnA12 GLU 157 HG2 0.00 0.01 0.10 -0.04 2.34 2.40 2cpnA12 GLU 157 HG3 0.00 0.00 0.03 -0.04 2.34 2.33 2cpnA12 CYS 158 H 0.00 0.40 -0.74 -0.55 8.50 7.61 2cpnA12 CYS 158 HA -0.00 0.17 0.79 -0.75 4.58 4.79 2cpnA12 CYS 158 HB2 0.00 -0.05 0.07 -0.04 2.97 2.95 2cpnA12 CYS 158 HB3 -0.00 -0.02 -0.09 -0.04 2.97 2.82 2cpnA12 ASN 159 H 0.00 0.11 0.12 -0.55 8.53 8.21 2cpnA12 ASN 159 HA 0.00 0.25 0.74 -0.75 4.76 5.00 2cpnA12 ASN 159 HB2 -0.01 -0.10 0.07 -0.04 2.88 2.81 2cpnA12 ASN 159 HB3 -0.00 0.10 0.06 -0.04 2.79 2.91 2cpnA12 ASN 159 HD21 -0.01 0.01 -0.02 -0.04 7.03 6.98 2cpnA12 ASN 159 HD22 0.00 0.10 0.01 -0.04 7.74 7.81 2cpnA12 PRO 160 HA 0.02 0.18 0.45 -0.51 4.44 4.57 2cpnA12 PRO 160 HB2 0.03 -0.01 0.02 -0.04 2.28 2.29 2cpnA12 PRO 160 HB3 0.02 0.11 0.17 -0.04 2.02 2.28 2cpnA12 PRO 160 HG2 -0.00 -0.13 0.26 -0.04 2.03 2.11 2cpnA12 PRO 160 HG3 0.01 0.17 0.17 -0.04 2.03 2.33 2cpnA12 PRO 160 HD2 -0.00 0.06 0.28 -0.04 3.68 3.97 2cpnA12 PRO 160 HD3 0.00 0.31 0.26 -0.04 3.65 4.18 2cpnA12 VAL 161 H 0.00 0.19 0.05 -0.55 8.24 7.94 2cpnA12 VAL 161 HA 0.07 0.10 0.34 -0.75 4.13 3.89 2cpnA12 VAL 161 HB -0.01 -0.03 0.03 -0.04 2.12 2.07 2cpnA12 VAL 161 HG13 -0.00 0.02 -0.07 -0.04 0.97 0.88 2cpnA12 VAL 161 HG23 -0.09 0.01 0.00 -0.04 0.95 0.83 2cpnA12 GLY 162 H 0.01 0.03 -0.46 -0.55 8.43 7.46 2cpnA12 GLY 162 HA2 0.02 0.12 0.44 -0.51 4.01 4.08 2cpnA12 GLY 162 HA3 0.01 0.03 0.22 -0.51 4.01 3.76 2cpnA12 ALA 163 H 0.02 0.19 -0.49 -0.55 8.40 7.57 2cpnA12 ALA 163 HA 0.01 0.11 0.63 -0.75 4.34 4.33 2cpnA12 ALA 163 HB3 0.01 0.05 0.12 -0.04 1.41 1.55 2cpnA12 LEU 164 H 0.04 0.72 0.14 -0.55 8.37 8.72 2cpnA12 LEU 164 HA 0.04 0.04 0.34 -0.75 4.35 4.01 2cpnA12 LEU 164 HB2 0.08 0.04 0.06 -0.04 1.64 1.77 2cpnA12 LEU 164 HB3 0.09 0.05 0.01 -0.04 1.64 1.75 2cpnA12 LEU 164 HG 0.08 -0.02 -0.08 -0.04 1.64 1.57 2cpnA12 LEU 164 HD13 0.06 0.01 -0.06 -0.04 0.93 0.89 2cpnA12 LEU 164 HD23 0.08 -0.01 -0.05 -0.04 0.89 0.87 2cpnA12 GLN 165 H 0.05 0.27 -0.54 -0.55 8.47 7.71 2cpnA12 GLN 165 HA 0.05 0.02 0.32 -0.75 4.36 4.00 2cpnA12 GLN 165 HB2 0.05 0.03 0.08 -0.04 2.15 2.26 2cpnA12 GLN 165 HB3 0.03 0.12 -0.02 -0.04 2.02 2.10 2cpnA12 GLN 165 HG2 0.02 -0.01 -0.03 -0.04 2.40 2.34 2cpnA12 GLN 165 HG3 0.02 0.02 -0.22 -0.04 2.39 2.16 2cpnA12 GLN 165 HE21 0.03 -0.02 0.19 -0.04 6.97 7.13 2cpnA12 GLN 165 HE22 0.04 -0.02 0.03 -0.04 7.69 7.70 2cpnA12 GLU 166 H 0.01 0.48 -0.43 -0.55 8.60 8.12 2cpnA12 GLU 166 HA -0.01 0.06 0.58 -0.75 4.29 4.16 2cpnA12 GLU 166 HB2 -0.01 0.15 0.21 -0.04 2.09 2.40 2cpnA12 GLU 166 HB3 -0.02 -0.04 0.02 -0.04 1.99 1.91 2cpnA12 GLU 166 HG2 0.00 0.04 0.06 -0.04 2.34 2.40 2cpnA12 GLU 166 HG3 -0.01 -0.02 0.08 -0.04 2.34 2.36 2cpnA12 LEU 167 H -0.01 0.42 0.00 -0.55 8.37 8.24 2cpnA12 LEU 167 HA -0.09 0.04 0.35 -0.75 4.35 3.90 2cpnA12 LEU 167 HB2 -0.01 0.02 0.04 -0.04 1.64 1.66 2cpnA12 LEU 167 HB3 -0.08 0.05 -0.00 -0.04 1.64 1.56 2cpnA12 LEU 167 HG -0.00 0.02 -0.17 -0.04 1.64 1.45 2cpnA12 LEU 167 HD13 -0.01 0.00 -0.05 -0.04 0.93 0.83 2cpnA12 LEU 167 HD23 -0.03 -0.03 -0.06 -0.04 0.89 0.72 2cpnA12 VAL 168 H 0.02 0.64 -0.17 -0.55 8.24 8.17 2cpnA12 VAL 168 HA 0.04 0.01 0.28 -0.75 4.13 3.71 2cpnA12 VAL 168 HB 0.18 -0.00 -0.31 -0.04 2.12 1.94 2cpnA12 VAL 168 HG13 0.21 -0.02 -0.09 -0.04 0.97 1.03 2cpnA12 VAL 168 HG23 0.05 -0.01 -0.08 -0.04 0.95 0.87 2cpnA12 VAL 169 H -0.02 0.32 -0.29 -0.55 8.24 7.70 2cpnA12 VAL 169 HA -0.02 0.05 0.40 -0.75 4.13 3.80 2cpnA12 VAL 169 HB -0.03 0.10 0.23 -0.04 2.12 2.37 2cpnA12 VAL 169 HG13 -0.03 -0.02 -0.09 -0.04 0.97 0.79 2cpnA12 VAL 169 HG23 0.00 0.05 0.10 -0.04 0.95 1.07 2cpnA12 GLN 170 H -0.09 0.56 -0.04 -0.55 8.47 8.35 2cpnA12 GLN 170 HA -0.10 -0.01 0.37 -0.75 4.36 3.87 2cpnA12 GLN 170 HB2 -0.11 -0.04 0.02 -0.04 2.15 1.98 2cpnA12 GLN 170 HB3 -0.08 -0.04 0.10 -0.04 2.02 1.96 2cpnA12 GLN 170 HG2 -0.13 0.14 0.27 -0.04 2.40 2.65 2cpnA12 GLN 170 HG3 -0.20 0.09 0.03 -0.04 2.39 2.26 2cpnA12 GLN 170 HE21 -0.14 0.04 0.04 -0.04 6.97 6.86 2cpnA12 GLN 170 HE22 -0.08 -0.03 -0.04 -0.04 7.69 7.49 2cpnA12 LYS 171 H -0.31 0.60 -0.23 -0.55 8.42 7.93 2cpnA12 LYS 171 HA -0.42 -0.00 0.44 -0.75 4.32 3.59 2cpnA12 LYS 171 HB2 -1.00 0.06 0.09 -0.04 1.87 0.98 2cpnA12 LYS 171 HB3 -1.81 -0.08 -0.03 -0.04 1.79 -0.18 2cpnA12 LYS 171 HG2 -0.46 -0.04 0.00 -0.04 1.46 0.92 2cpnA12 LYS 171 HG3 -0.46 0.08 0.00 -0.04 1.46 1.05 2cpnA12 LYS 171 HD2 -0.40 -0.00 -0.08 -0.04 1.69 1.17 2cpnA12 LYS 171 HD3 -1.86 -0.08 -0.09 -0.04 1.68 -0.38 2cpnA12 LYS 171 HE2 -0.16 -0.01 -0.01 -0.04 2.99 2.77 2cpnA12 LYS 171 HE3 -0.57 -0.00 0.01 -0.04 2.99 2.39 2cpnA12 GLY 172 H -0.28 0.37 -0.34 -0.55 8.43 7.63 2cpnA12 GLY 172 HA2 -0.08 0.04 0.35 -0.51 4.01 3.81 2cpnA12 GLY 172 HA3 -0.13 0.05 0.72 -0.51 4.01 4.15 2cpnA12 TRP 173 H 0.00 0.60 0.11 -0.55 7.97 8.13 2cpnA12 TRP 173 HA -0.00 0.19 0.88 -0.75 4.62 4.93 2cpnA12 TRP 173 HB2 -0.02 -0.03 -0.00 -0.04 3.23 3.13 2cpnA12 TRP 173 HB3 -0.01 -0.12 0.14 -0.04 3.23 3.20 2cpnA12 TRP 173 HD1 0.01 0.25 -0.10 -0.04 7.22 7.33 2cpnA12 TRP 173 HE1 0.03 0.02 -0.07 -0.04 10.20 10.14 2cpnA12 TRP 173 HE3 -0.07 -0.04 -0.09 -0.04 7.59 7.35 2cpnA12 TRP 173 HZ2 0.06 0.04 -0.04 -0.04 7.44 7.46 2cpnA12 TRP 173 HZ3 -0.28 -0.01 -0.10 -0.04 7.13 6.69 2cpnA12 TRP 173 HH2 -0.28 0.09 -0.04 -0.04 7.19 6.91 2cpnA12 ARG 174 H 0.18 0.08 0.14 -0.55 8.46 8.31 2cpnA12 ARG 174 HA 0.08 0.16 0.79 -0.75 4.34 4.62 2cpnA12 ARG 174 HB2 0.03 0.00 0.08 -0.04 1.90 1.97 2cpnA12 ARG 174 HB3 0.03 -0.00 0.08 -0.04 1.80 1.86 2cpnA12 ARG 174 HG2 0.06 0.05 -0.09 -0.04 1.67 1.65 2cpnA12 ARG 174 HG3 0.06 -0.01 -0.03 -0.04 1.67 1.65 2cpnA12 ARG 174 HD2 0.01 0.00 -0.00 -0.04 3.22 3.20 2cpnA12 ARG 174 HD3 0.02 -0.01 0.01 -0.04 3.22 3.19 2cpnA12 LEU 175 H 0.04 0.07 0.12 -0.55 8.37 8.05 2cpnA12 LEU 175 HA 0.04 0.04 0.31 -0.75 4.35 3.99 2cpnA12 LEU 175 HB2 0.02 -0.05 0.08 -0.04 1.64 1.65 2cpnA12 LEU 175 HB3 0.03 0.11 0.01 -0.04 1.64 1.74 2cpnA12 LEU 175 HG 0.03 -0.01 0.10 -0.04 1.64 1.72 2cpnA12 LEU 175 HD13 0.03 -0.01 0.03 -0.04 0.93 0.94 2cpnA12 LEU 175 HD23 0.05 0.00 0.05 -0.04 0.89 0.94 2cpnA12 PRO 176 HA -0.13 0.10 0.46 -0.51 4.44 4.35 2cpnA12 PRO 176 HB2 -0.53 0.03 -0.12 -0.04 2.28 1.62 2cpnA12 PRO 176 HB3 -0.09 0.01 0.02 -0.04 2.02 1.92 2cpnA12 PRO 176 HG2 0.09 -0.00 0.02 -0.04 2.03 2.10 2cpnA12 PRO 176 HG3 0.09 -0.01 -0.02 -0.04 2.03 2.04 2cpnA12 PRO 176 HD2 0.05 0.05 0.18 -0.04 3.68 3.92 2cpnA12 PRO 176 HD3 0.05 0.14 0.07 -0.04 3.65 3.87 2cpnA12 GLU 177 H -0.26 0.30 0.18 -0.55 8.60 8.28 2cpnA12 GLU 177 HA -0.16 0.14 0.80 -0.75 4.29 4.31 2cpnA12 GLU 177 HB2 -0.11 0.17 0.16 -0.04 2.09 2.27 2cpnA12 GLU 177 HB3 -0.12 -0.13 0.16 -0.04 1.99 1.85 2cpnA12 GLU 177 HG2 -0.04 0.01 0.05 -0.04 2.34 2.31 2cpnA12 GLU 177 HG3 -0.05 0.02 0.00 -0.04 2.34 2.28 2cpnA12 TYR 178 H 0.00 0.23 0.14 -0.55 8.29 8.11 2cpnA12 TYR 178 HA 0.01 0.23 0.91 -0.75 4.56 4.96 2cpnA12 TYR 178 HB2 -0.00 0.01 0.08 -0.04 3.06 3.11 2cpnA12 TYR 178 HB3 0.00 -0.07 -0.07 -0.04 2.98 2.81 2cpnA12 TYR 178 HD2 0.01 0.01 -0.11 -0.04 7.15 7.01 2cpnA12 TYR 178 HE2 0.01 -0.00 -0.08 -0.04 6.85 6.74 2cpnA12 THR 179 H 0.11 0.42 0.18 -0.55 8.28 8.44 2cpnA12 THR 179 HA 0.06 0.10 0.75 -0.75 4.39 4.55 2cpnA12 THR 179 HB 0.03 0.01 -0.01 -0.04 4.32 4.31 2cpnA12 THR 179 HG23 0.03 0.01 -0.08 -0.04 1.22 1.14 2cpnA12 VAL 180 H 0.06 0.16 0.11 -0.55 8.24 8.01 2cpnA12 VAL 180 HA 0.08 0.03 0.58 -0.75 4.13 4.07 2cpnA12 VAL 180 HB 0.09 0.03 0.11 -0.04 2.12 2.30 2cpnA12 VAL 180 HG13 0.17 -0.00 -0.23 -0.04 0.97 0.87 2cpnA12 VAL 180 HG23 0.08 -0.02 -0.05 -0.04 0.95 0.92 2cpnA12 THR 181 H 0.05 0.51 0.52 -0.55 8.28 8.81 2cpnA12 THR 181 HA 0.03 0.13 0.69 -0.75 4.39 4.48 2cpnA12 THR 181 HB 0.02 -0.01 0.04 -0.04 4.32 4.32 2cpnA12 THR 181 HG23 0.02 -0.00 0.02 -0.04 1.22 1.22 2cpnA12 GLN 182 H 0.04 0.34 0.32 -0.55 8.47 8.61 2cpnA12 GLN 182 HA 0.00 0.24 0.85 -0.75 4.36 4.70 2cpnA12 GLN 182 HB2 0.00 0.02 -0.12 -0.04 2.15 2.01 2cpnA12 GLN 182 HB3 -0.01 -0.05 -0.01 -0.04 2.02 1.92 2cpnA12 GLN 182 HG2 -0.02 0.07 0.12 -0.04 2.40 2.54 2cpnA12 GLN 182 HG3 -0.01 0.02 -0.01 -0.04 2.39 2.34 2cpnA12 GLN 182 HE21 -0.03 0.03 -0.01 -0.04 6.97 6.92 2cpnA12 GLN 182 HE22 -0.05 0.01 -0.18 -0.04 7.69 7.43 2cpnA12 GLU 183 H -0.05 0.25 0.11 -0.55 8.60 8.36 2cpnA12 GLU 183 HA -0.20 0.09 0.91 -0.75 4.29 4.33 2cpnA12 GLU 183 HB2 -0.11 0.01 0.09 -0.04 2.09 2.03 2cpnA12 GLU 183 HB3 -0.47 0.06 0.04 -0.04 1.99 1.58 2cpnA12 GLU 183 HG2 0.16 -0.06 0.01 -0.04 2.34 2.40 2cpnA12 GLU 183 HG3 0.04 -0.09 -0.90 -0.04 2.34 1.35 2cpnA12 SER 184 H -0.20 0.52 0.33 -0.55 8.46 8.56 2cpnA12 SER 184 HA -0.13 0.19 0.92 -0.75 4.49 4.71 2cpnA12 SER 184 HB2 -0.07 -0.02 -0.11 -0.04 3.95 3.71 2cpnA12 SER 184 HB3 -0.08 0.01 0.00 -0.04 3.93 3.82 2cpnA12 GLY 185 H -0.10 0.05 0.13 -0.55 8.43 7.96 2cpnA12 GLY 185 HA2 -0.10 -0.04 0.46 -0.51 4.01 3.82 2cpnA12 GLY 185 HA3 -0.13 0.30 1.04 -0.51 4.01 4.70 2cpnA12 PRO 186 HA -0.16 0.12 0.40 -0.51 4.44 4.29 2cpnA12 PRO 186 HB2 -1.04 -0.20 0.17 -0.04 2.28 1.18 2cpnA12 PRO 186 HB3 -0.20 0.10 0.15 -0.04 2.02 2.03 2cpnA12 PRO 186 HG2 -0.80 -0.22 0.05 -0.04 2.03 1.02 2cpnA12 PRO 186 HG3 -0.15 0.09 0.09 -0.04 2.03 2.02 2cpnA12 PRO 186 HD2 -0.15 0.37 0.30 -0.04 3.68 4.17 2cpnA12 PRO 186 HD3 -0.10 0.09 0.21 -0.04 3.65 3.80 2cpnA12 ALA 187 H -0.19 0.13 0.14 -0.55 8.40 7.93 2cpnA12 ALA 187 HA -0.06 0.18 0.43 -0.75 4.34 4.14 2cpnA12 ALA 187 HB3 0.01 0.02 0.07 -0.04 1.41 1.47 2cpnA12 HIS 188 H -0.56 -0.02 -0.12 -0.55 8.41 7.17 2cpnA12 HIS 188 HA 0.01 0.16 0.55 -0.75 4.63 4.60 2cpnA12 HIS 188 HB2 0.00 0.05 -0.01 -0.04 3.26 3.26 2cpnA12 HIS 188 HB3 0.00 0.02 0.06 -0.04 3.20 3.24 2cpnA12 HIS 188 HD2 -0.00 0.06 -0.08 -0.04 6.97 6.90 2cpnA12 HIS 188 HE1 -0.00 0.03 0.06 -0.04 7.75 7.79 2cpnA12 ARG 189 H -0.44 -0.04 -0.45 -0.55 8.46 6.97 2cpnA12 ARG 189 HA 0.01 0.20 0.86 -0.75 4.34 4.65 2cpnA12 ARG 189 HB2 -0.06 -0.09 0.11 -0.04 1.90 1.83 2cpnA12 ARG 189 HB3 -0.01 0.03 0.05 -0.04 1.80 1.83 2cpnA12 ARG 189 HG2 0.07 0.13 -0.08 -0.04 1.67 1.76 2cpnA12 ARG 189 HG3 0.24 -0.08 -0.20 -0.04 1.67 1.59 2cpnA12 ARG 189 HD2 0.07 0.00 -0.03 -0.04 3.22 3.22 2cpnA12 ARG 189 HD3 0.06 -0.03 -0.01 -0.04 3.22 3.20 2cpnA12 LYS 190 H 0.00 0.14 -0.11 -0.55 8.42 7.89 2cpnA12 LYS 190 HA -0.11 0.20 0.59 -0.75 4.32 4.25 2cpnA12 LYS 190 HB2 0.12 -0.06 0.13 -0.04 1.87 2.01 2cpnA12 LYS 190 HB3 0.23 -0.04 0.02 -0.04 1.79 1.95 2cpnA12 LYS 190 HG2 -0.03 0.15 -0.09 -0.04 1.46 1.45 2cpnA12 LYS 190 HG3 0.08 -0.06 0.01 -0.04 1.46 1.45 2cpnA12 LYS 190 HD2 0.12 -0.11 -0.03 -0.04 1.69 1.63 2cpnA12 LYS 190 HD3 -0.16 0.09 -0.06 -0.04 1.68 1.50 2cpnA12 LYS 190 HE2 -0.04 -0.04 -0.09 -0.04 2.99 2.77 2cpnA12 LYS 190 HE3 -0.07 0.12 -0.28 -0.04 2.99 2.71 2cpnA12 GLU 191 H -0.24 0.49 0.31 -0.55 8.60 8.62 2cpnA12 GLU 191 HA 0.08 0.10 0.77 -0.75 4.29 4.48 2cpnA12 GLU 191 HB2 -0.01 0.00 -0.19 -0.04 2.09 1.85 2cpnA12 GLU 191 HB3 -0.08 0.11 0.02 -0.04 1.99 2.01 2cpnA12 GLU 191 HG2 -0.03 -0.08 -0.37 -0.04 2.34 1.82 2cpnA12 GLU 191 HG3 0.02 -0.08 -0.23 -0.04 2.34 2.01 2cpnA12 PHE 192 H 0.30 0.52 0.08 -0.55 8.34 8.69 2cpnA12 PHE 192 HA -0.00 0.19 1.08 -0.75 4.62 5.13 2cpnA12 PHE 192 HB2 -0.01 -0.07 -0.00 -0.04 3.15 3.04 2cpnA12 PHE 192 HB3 -0.00 0.02 -0.01 -0.04 3.06 3.03 2cpnA12 PHE 192 HD2 -0.01 0.11 -0.11 -0.04 7.28 7.24 2cpnA12 PHE 192 HE2 -0.01 0.07 -0.02 -0.04 7.38 7.37 2cpnA12 PHE 192 HZ -0.01 0.04 -0.02 -0.04 7.32 7.28 2cpnA12 THR 193 H 0.07 0.79 0.30 -0.55 8.28 8.89 2cpnA12 THR 193 HA 0.06 0.21 0.99 -0.75 4.39 4.90 2cpnA12 THR 193 HB 0.03 -0.21 0.31 -0.04 4.32 4.41 2cpnA12 THR 193 HG23 0.03 0.04 -0.04 -0.04 1.22 1.21 2cpnA12 MET 194 H 0.08 0.21 -0.01 -0.55 8.47 8.20 2cpnA12 MET 194 HA 0.08 0.14 0.89 -0.75 4.52 4.87 2cpnA12 MET 194 HB2 0.07 -0.04 -0.16 -0.04 2.15 1.98 2cpnA12 MET 194 HB3 0.07 -0.06 -0.18 -0.04 2.03 1.82 2cpnA12 MET 194 HG2 0.16 0.12 -0.31 -0.04 2.63 2.57 2cpnA12 MET 194 HG3 0.10 -0.04 -0.40 -0.04 2.56 2.18 2cpnA12 MET 194 HE3 -0.02 0.00 -0.16 -0.04 2.10 1.89 2cpnA12 THR 195 H 0.07 0.54 0.34 -0.55 8.28 8.68 2cpnA12 THR 195 HA 0.06 0.07 1.19 -0.75 4.39 4.95 2cpnA12 THR 195 HB 0.03 0.02 0.08 -0.04 4.32 4.41 2cpnA12 THR 195 HG23 0.02 -0.00 -0.34 -0.04 1.22 0.86 2cpnA12 CYS 196 H 0.05 0.63 0.35 -0.55 8.50 8.98 2cpnA12 CYS 196 HA -0.07 0.33 0.88 -0.75 4.58 4.97 2cpnA12 CYS 196 HB2 0.13 -0.09 -0.09 -0.04 2.97 2.87 2cpnA12 CYS 196 HB3 0.04 0.01 0.10 -0.04 2.97 3.08 2cpnA12 ARG 197 H -0.14 0.43 0.21 -0.55 8.46 8.41 2cpnA12 ARG 197 HA -0.05 0.17 0.98 -0.75 4.34 4.69 2cpnA12 ARG 197 HB2 -0.05 -0.03 0.01 -0.04 1.90 1.79 2cpnA12 ARG 197 HB3 -0.08 -0.05 0.19 -0.04 1.80 1.82 2cpnA12 ARG 197 HG2 -0.06 0.10 -0.08 -0.04 1.67 1.58 2cpnA12 ARG 197 HG3 -0.05 0.01 0.01 -0.04 1.67 1.60 2cpnA12 ARG 197 HD2 -0.04 -0.04 -0.03 -0.04 3.22 3.07 2cpnA12 ARG 197 HD3 -0.04 0.02 -0.04 -0.04 3.22 3.12 2cpnA12 VAL 198 H -0.05 0.61 0.28 -0.55 8.24 8.53 2cpnA12 VAL 198 HA -0.13 0.11 0.79 -0.75 4.13 4.15 2cpnA12 VAL 198 HB -0.02 0.05 0.00 -0.04 2.12 2.12 2cpnA12 VAL 198 HG13 -0.40 -0.06 -0.09 -0.04 0.97 0.39 2cpnA12 VAL 198 HG23 -0.05 -0.01 -0.14 -0.04 0.95 0.71 2cpnA12 GLU 199 H -0.31 0.15 0.13 -0.55 8.60 8.02 2cpnA12 GLU 199 HA -0.22 0.06 0.36 -0.75 4.29 3.74 2cpnA12 GLU 199 HB2 -1.28 -0.08 0.17 -0.04 2.09 0.85 2cpnA12 GLU 199 HB3 -0.49 0.08 0.05 -0.04 1.99 1.60 2cpnA12 GLU 199 HG2 -0.21 0.03 0.18 -0.04 2.34 2.30 2cpnA12 GLU 199 HG3 -0.30 0.04 0.14 -0.04 2.34 2.18 2cpnA12 ARG 200 H -0.65 0.08 -0.11 -0.55 8.46 7.23 2cpnA12 ARG 200 HA -0.17 0.24 0.86 -0.75 4.34 4.52 2cpnA12 ARG 200 HB2 -0.14 -0.01 0.07 -0.04 1.90 1.78 2cpnA12 ARG 200 HB3 -0.11 0.01 0.20 -0.04 1.80 1.87 2cpnA12 ARG 200 HG2 -0.15 -0.04 -0.22 -0.04 1.67 1.22 2cpnA12 ARG 200 HG3 -0.02 0.01 -0.01 -0.04 1.67 1.61 2cpnA12 ARG 200 HD2 -0.06 -0.02 0.03 -0.04 3.22 3.13 2cpnA12 ARG 200 HD3 -0.11 0.06 0.06 -0.04 3.22 3.19 2cpnA12 PHE 201 H -0.09 0.44 -0.56 -0.55 8.34 7.58 2cpnA12 PHE 201 HA -0.10 0.17 0.69 -0.75 4.62 4.62 2cpnA12 PHE 201 HB2 -0.22 -0.14 -0.13 -0.04 3.15 2.62 2cpnA12 PHE 201 HB3 -0.07 -0.00 -0.09 -0.04 3.06 2.85 2cpnA12 PHE 201 HD2 -0.17 -0.20 -0.41 -0.04 7.28 6.46 2cpnA12 PHE 201 HE2 0.08 0.08 -0.19 -0.04 7.38 7.31 2cpnA12 PHE 201 HZ 0.10 0.05 -0.01 -0.04 7.32 7.42 2cpnA12 ILE 202 H -0.00 0.26 0.14 -0.55 8.25 8.10 2cpnA12 ILE 202 HA 0.00 0.26 0.90 -0.75 4.18 4.59 2cpnA12 ILE 202 HB -0.04 -0.02 0.01 -0.04 1.89 1.79 2cpnA12 ILE 202 HG12 -0.05 0.01 0.09 -0.04 1.49 1.50 2cpnA12 ILE 202 HG13 -0.06 -0.05 -0.75 -0.04 1.21 0.30 2cpnA12 ILE 202 HG23 -0.02 -0.01 -0.16 -0.04 0.93 0.71 2cpnA12 ILE 202 HD13 -0.05 -0.01 -0.09 -0.04 0.88 0.69 2cpnA12 GLU 203 H 0.02 0.58 0.29 -0.55 8.60 8.95 2cpnA12 GLU 203 HA 0.03 0.11 0.69 -0.75 4.29 4.36 2cpnA12 GLU 203 HB2 0.06 -0.04 -0.07 -0.04 2.09 2.01 2cpnA12 GLU 203 HB3 0.05 0.05 -0.05 -0.04 1.99 2.00 2cpnA12 GLU 203 HG2 0.07 -0.01 -0.05 -0.04 2.34 2.31 2cpnA12 GLU 203 HG3 0.04 0.03 0.18 -0.04 2.34 2.55 2cpnA12 ILE 204 H 0.03 0.20 0.17 -0.55 8.25 8.10 2cpnA12 ILE 204 HA 0.04 0.04 0.96 -0.75 4.18 4.46 2cpnA12 ILE 204 HB 0.02 0.01 0.08 -0.04 1.89 1.96 2cpnA12 ILE 204 HG12 0.02 0.01 -0.09 -0.04 1.49 1.39 2cpnA12 ILE 204 HG13 0.01 -0.08 -0.14 -0.04 1.21 0.97 2cpnA12 ILE 204 HG23 0.03 0.05 -0.13 -0.04 0.93 0.83 2cpnA12 ILE 204 HD13 0.01 0.01 -0.04 -0.04 0.88 0.82 2cpnA12 GLY 205 H 0.05 0.55 0.31 -0.55 8.43 8.79 2cpnA12 GLY 205 HA2 0.04 0.22 0.90 -0.51 4.01 4.66 2cpnA12 GLY 205 HA3 0.05 -0.04 0.30 -0.51 4.01 3.82 2cpnA12 SER 206 H 0.04 0.24 0.19 -0.55 8.46 8.38 2cpnA12 SER 206 HA 0.05 0.18 0.85 -0.75 4.49 4.82 2cpnA12 SER 206 HB2 0.03 -0.01 -0.05 -0.04 3.95 3.88 2cpnA12 SER 206 HB3 0.03 0.09 -0.22 -0.04 3.93 3.78 2cpnA12 GLY 207 H 0.08 0.57 0.22 -0.55 8.43 8.76 2cpnA12 GLY 207 HA2 0.04 0.12 0.62 -0.51 4.01 4.28 2cpnA12 GLY 207 HA3 0.04 -0.06 0.26 -0.51 4.01 3.74 2cpnA12 THR 208 H 0.04 0.19 0.16 -0.55 8.28 8.12 2cpnA12 THR 208 HA 0.08 0.28 0.57 -0.75 4.39 4.56 2cpnA12 THR 208 HB 0.05 0.12 0.15 -0.04 4.32 4.59 2cpnA12 THR 208 HG23 0.03 0.00 0.11 -0.04 1.22 1.32 2cpnA12 SER 209 H 0.04 -0.02 -0.36 -0.55 8.46 7.58 2cpnA12 SER 209 HA 0.02 0.28 0.92 -0.75 4.49 4.95 2cpnA12 SER 209 HB2 -0.02 -0.07 0.05 -0.04 3.95 3.86 2cpnA12 SER 209 HB3 -0.08 -0.05 0.03 -0.04 3.93 3.78 2cpnA12 LYS 210 H -0.58 0.27 0.11 -0.55 8.42 7.68 2cpnA12 LYS 210 HA -0.18 0.06 0.31 -0.75 4.32 3.76 2cpnA12 LYS 210 HB2 -0.33 -0.03 0.12 -0.04 1.87 1.60 2cpnA12 LYS 210 HB3 -0.21 0.06 -0.03 -0.04 1.79 1.57 2cpnA12 LYS 210 HG2 -0.41 0.00 0.02 -0.04 1.46 1.04 2cpnA12 LYS 210 HG3 -1.48 0.02 0.09 -0.04 1.46 0.05 2cpnA12 LYS 210 HD2 -0.30 0.00 0.02 -0.04 1.69 1.37 2cpnA12 LYS 210 HD3 -0.18 0.02 -0.00 -0.04 1.68 1.47 2cpnA12 LYS 210 HE2 -0.09 0.04 -0.00 -0.04 2.99 2.90 2cpnA12 LYS 210 HE3 -0.26 0.01 -0.00 -0.04 2.99 2.69 2cpnA12 LYS 211 H -0.15 0.11 -0.25 -0.55 8.42 7.57 2cpnA12 LYS 211 HA -0.11 0.08 0.32 -0.75 4.32 3.85 2cpnA12 LYS 211 HB2 -0.07 -0.04 0.01 -0.04 1.87 1.72 2cpnA12 LYS 211 HB3 -0.07 0.06 -0.01 -0.04 1.79 1.73 2cpnA12 LYS 211 HG2 -0.08 0.06 0.02 -0.04 1.46 1.42 2cpnA12 LYS 211 HG3 -0.11 -0.08 0.04 -0.04 1.46 1.27 2cpnA12 LYS 211 HD2 -0.06 0.04 0.00 -0.04 1.69 1.63 2cpnA12 LYS 211 HD3 -0.06 -0.02 -0.00 -0.04 1.68 1.55 2cpnA12 LYS 211 HE2 -0.04 0.03 -0.01 -0.04 2.99 2.93 2cpnA12 LYS 211 HE3 -0.05 -0.01 -0.02 -0.04 2.99 2.87 2cpnA12 LEU 212 H -0.06 0.16 -0.30 -0.55 8.37 7.62 2cpnA12 LEU 212 HA -0.04 0.07 0.46 -0.75 4.35 4.08 2cpnA12 LEU 212 HB2 -0.01 -0.01 0.17 -0.04 1.64 1.75 2cpnA12 LEU 212 HB3 -0.00 0.02 0.05 -0.04 1.64 1.66 2cpnA12 LEU 212 HG -0.02 -0.02 0.03 -0.04 1.64 1.58 2cpnA12 LEU 212 HD13 0.01 -0.02 0.05 -0.04 0.93 0.93 2cpnA12 LEU 212 HD23 -0.01 0.02 0.04 -0.04 0.89 0.90 2cpnA12 ALA 213 H -0.02 0.55 -0.07 -0.55 8.40 8.31 2cpnA12 ALA 213 HA 0.02 0.03 0.06 -0.75 4.34 3.70 2cpnA12 ALA 213 HB3 0.03 0.01 -0.02 -0.04 1.41 1.39 2cpnA12 LYS 214 H -0.10 0.55 -0.23 -0.55 8.42 8.08 2cpnA12 LYS 214 HA -0.21 -0.01 0.25 -0.75 4.32 3.59 2cpnA12 LYS 214 HB2 -0.27 0.06 0.05 -0.04 1.87 1.68 2cpnA12 LYS 214 HB3 -0.29 0.07 0.02 -0.04 1.79 1.55 2cpnA12 LYS 214 HG2 -1.15 -0.03 -0.09 -0.04 1.46 0.15 2cpnA12 LYS 214 HG3 -1.67 -0.03 -0.03 -0.04 1.46 -0.30 2cpnA12 LYS 214 HD2 -0.52 0.03 -0.05 -0.04 1.69 1.10 2cpnA12 LYS 214 HD3 -0.30 -0.01 -0.05 -0.04 1.68 1.28 2cpnA12 LYS 214 HE2 -0.35 -0.03 -0.05 -0.04 2.99 2.52 2cpnA12 LYS 214 HE3 -0.16 0.03 -0.03 -0.04 2.99 2.79 2cpnA12 ARG 215 H -0.10 0.41 -0.28 -0.55 8.46 7.93 2cpnA12 ARG 215 HA -0.04 -0.10 0.52 -0.75 4.34 3.96 2cpnA12 ARG 215 HB2 -0.03 0.17 0.22 -0.04 1.90 2.22 2cpnA12 ARG 215 HB3 -0.02 -0.07 0.13 -0.04 1.80 1.80 2cpnA12 ARG 215 HG2 -0.05 -0.16 0.10 -0.04 1.67 1.52 2cpnA12 ARG 215 HG3 -0.09 0.11 0.14 -0.04 1.67 1.79 2cpnA12 ARG 215 HD2 -0.04 0.03 0.04 -0.04 3.22 3.20 2cpnA12 ARG 215 HD3 -0.03 -0.01 0.06 -0.04 3.22 3.21 2cpnA12 ASN 216 H -0.01 0.55 0.02 -0.55 8.53 8.55 2cpnA12 ASN 216 HA 0.02 0.01 0.44 -0.75 4.76 4.48 2cpnA12 ASN 216 HB2 0.01 -0.01 0.12 -0.04 2.88 2.96 2cpnA12 ASN 216 HB3 0.03 -0.08 0.16 -0.04 2.79 2.86 2cpnA12 ASN 216 HD21 0.04 -0.01 -0.19 -0.04 7.03 6.83 2cpnA12 ASN 216 HD22 0.03 0.05 0.07 -0.04 7.74 7.84 2cpnA12 ALA 217 H 0.05 0.72 -0.10 -0.55 8.40 8.52 2cpnA12 ALA 217 HA 0.07 0.05 0.33 -0.75 4.34 4.04 2cpnA12 ALA 217 HB3 0.14 0.04 -0.04 -0.04 1.41 1.50 2cpnA12 ALA 218 H 0.13 0.56 -0.10 -0.55 8.40 8.44 2cpnA12 ALA 218 HA 0.15 0.02 0.34 -0.75 4.34 4.09 2cpnA12 ALA 218 HB3 0.15 0.05 0.01 -0.04 1.41 1.58 2cpnA12 ALA 219 H 0.05 0.71 -0.01 -0.55 8.40 8.60 2cpnA12 ALA 219 HA 0.03 -0.06 0.39 -0.75 4.34 3.95 2cpnA12 ALA 219 HB3 0.02 0.03 0.15 -0.04 1.41 1.57 2cpnA12 LYS 220 H 0.04 0.45 -0.19 -0.55 8.42 8.17 2cpnA12 LYS 220 HA 0.04 -0.00 0.40 -0.75 4.32 4.01 2cpnA12 LYS 220 HB2 0.05 0.17 0.17 -0.04 1.87 2.21 2cpnA12 LYS 220 HB3 0.05 -0.04 -0.01 -0.04 1.79 1.75 2cpnA12 LYS 220 HG2 0.03 0.00 0.11 -0.04 1.46 1.56 2cpnA12 LYS 220 HG3 0.04 -0.01 0.06 -0.04 1.46 1.51 2cpnA12 LYS 220 HD2 0.04 0.00 0.05 -0.04 1.69 1.73 2cpnA12 LYS 220 HD3 0.03 -0.02 0.06 -0.04 1.68 1.72 2cpnA12 LYS 220 HE2 0.03 -0.00 0.03 -0.04 2.99 3.01 2cpnA12 LYS 220 HE3 0.02 -0.00 0.02 -0.04 2.99 2.99 2cpnA12 MET 221 H 0.06 0.51 -0.22 -0.55 8.47 8.27 2cpnA12 MET 221 HA 0.07 -0.04 0.35 -0.75 4.52 4.14 2cpnA12 MET 221 HB2 0.06 0.02 0.08 -0.04 2.15 2.27 2cpnA12 MET 221 HB3 0.06 0.17 0.16 -0.04 2.03 2.37 2cpnA12 MET 221 HG2 0.02 -0.05 -0.09 -0.04 2.63 2.47 2cpnA12 MET 221 HG3 0.00 -0.00 -0.21 -0.04 2.56 2.31 2cpnA12 MET 221 HE3 0.05 -0.02 -0.25 -0.04 2.10 1.85 2cpnA12 LEU 222 H 0.04 0.52 -0.23 -0.55 8.37 8.15 2cpnA12 LEU 222 HA 0.01 -0.06 0.32 -0.75 4.35 3.86 2cpnA12 LEU 222 HB2 0.02 0.14 0.16 -0.04 1.64 1.91 2cpnA12 LEU 222 HB3 0.01 -0.05 0.04 -0.04 1.64 1.60 2cpnA12 LEU 222 HG 0.04 0.23 0.09 -0.04 1.64 1.95 2cpnA12 LEU 222 HD13 0.02 -0.05 0.05 -0.04 0.93 0.91 2cpnA12 LEU 222 HD23 0.03 -0.05 -0.04 -0.04 0.89 0.79 2cpnA12 LEU 223 H 0.03 0.28 -0.20 -0.55 8.37 7.93 2cpnA12 LEU 223 HA 0.02 0.33 0.50 -0.75 4.35 4.45 2cpnA12 LEU 223 HB2 0.04 0.11 0.16 -0.04 1.64 1.90 2cpnA12 LEU 223 HB3 0.03 -0.06 0.01 -0.04 1.64 1.58 2cpnA12 LEU 223 HG 0.02 -0.00 0.06 -0.04 1.64 1.68 2cpnA12 LEU 223 HD13 0.02 -0.02 0.03 -0.04 0.93 0.92 2cpnA12 LEU 223 HD23 0.02 0.00 0.04 -0.04 0.89 0.91 2cpnA12 ARG 224 H 0.06 0.38 -0.09 -0.55 8.46 8.25 2cpnA12 ARG 224 HA 0.14 0.00 0.34 -0.75 4.34 4.07 2cpnA12 ARG 224 HB2 0.15 0.01 0.17 -0.04 1.90 2.18 2cpnA12 ARG 224 HB3 0.33 -0.04 -0.00 -0.04 1.80 2.05 2cpnA12 ARG 224 HG2 0.08 0.22 0.01 -0.04 1.67 1.94 2cpnA12 ARG 224 HG3 0.11 -0.09 -0.09 -0.04 1.67 1.57 2cpnA12 ARG 224 HD2 0.10 0.03 -0.00 -0.04 3.22 3.30 2cpnA12 ARG 224 HD3 0.07 -0.05 -0.01 -0.04 3.22 3.19 2cpnA12 VAL 225 H -0.07 0.69 -0.02 -0.55 8.24 8.29 2cpnA12 VAL 225 HA -0.85 -0.01 0.35 -0.75 4.13 2.87 2cpnA12 VAL 225 HB -0.13 -0.05 -0.02 -0.04 2.12 1.88 2cpnA12 VAL 225 HG13 -0.58 -0.03 -0.06 -0.04 0.97 0.26 2cpnA12 VAL 225 HG23 -0.05 0.06 -0.09 -0.04 0.95 0.83 2cpnA12 SER 226 H -0.02 0.33 -0.65 -0.55 8.46 7.57 2cpnA12 SER 226 HA 0.01 -0.01 0.53 -0.75 4.49 4.28 2cpnA12 SER 226 HB2 -0.02 -0.08 -0.00 -0.04 3.95 3.81 2cpnA12 SER 226 HB3 -0.05 0.02 -0.23 -0.04 3.93 3.64 2cpnA12 GLY 227 H 0.03 0.09 -0.11 -0.55 8.43 7.89 2cpnA12 GLY 227 HA2 0.02 -0.05 0.37 -0.51 4.01 3.84 2cpnA12 GLY 227 HA3 0.03 0.14 0.54 -0.51 4.01 4.21 2cpnA12 PRO 228 HA 0.02 0.01 0.39 -0.51 4.44 4.36 2cpnA12 PRO 228 HB2 0.03 0.02 0.11 -0.04 2.28 2.40 2cpnA12 PRO 228 HB3 0.03 -0.00 0.07 -0.04 2.02 2.08 2cpnA12 PRO 228 HG2 0.06 0.08 0.11 -0.04 2.03 2.23 2cpnA12 PRO 228 HG3 0.04 -0.02 0.03 -0.04 2.03 2.04 2cpnA12 PRO 228 HD2 0.05 0.52 0.05 -0.04 3.68 4.26 2cpnA12 PRO 228 HD3 0.04 0.03 0.09 -0.04 3.65 3.76 2cpnA12 SER 229 H 0.02 0.21 0.26 -0.55 8.46 8.41 2cpnA12 SER 229 HA 0.03 0.24 0.93 -0.75 4.49 4.94 2cpnA12 SER 229 HB2 0.03 0.04 -0.07 -0.04 3.95 3.91 2cpnA12 SER 229 HB3 0.02 -0.08 0.16 -0.04 3.93 3.99 2cpnA12 SER 230 H 0.02 0.16 0.10 -0.55 8.46 8.19 2cpnA12 SER 230 HA 0.01 0.19 0.91 -0.75 4.49 4.85 2cpnA12 SER 230 HB2 0.01 0.06 -0.05 -0.04 3.95 3.93 2cpnA12 SER 230 HB3 0.01 -0.00 0.18 -0.04 3.93 4.07 2cpnA12 GLY 231 H 0.01 0.23 -0.08 -0.55 8.43 8.04 2cpnA12 GLY 231 HA2 0.01 0.05 0.17 -0.51 4.01 3.73 2cpnA12 GLY 231 HA3 0.01 0.10 0.20 -0.51 4.01 3.81