============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. TRP 14 1.040 19.583 36.956 0.673 -99.200 -91.000 TRP6 14 1.020 17.447 37.037 1.691 -99.200 -91.000 TRP 37 1.040 34.491 43.854 12.593 -99.200 -91.000 TRP6 37 1.020 32.321 43.032 13.046 -99.200 -91.000 HIS 40 0.900 36.241 35.094 9.361 -99.200 -91.000 PHE 42 1.000 33.135 31.851 5.674 -99.200 -91.000 PHE 47 1.000 18.419 20.134 4.031 -99.200 -91.000 HIS 78 0.900 27.021 39.863 -0.823 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2b7bB1 PRO 1117 HA -0.01 -0.11 0.23 -0.51 4.44 4.03 2b7bB1 PRO 1117 HB2 -0.01 0.04 -0.06 -0.04 2.28 2.20 2b7bB1 PRO 1117 HB3 -0.01 -0.02 0.04 -0.04 2.02 1.99 2b7bB1 PRO 1117 HG2 -0.01 -0.02 0.02 -0.04 2.03 1.99 2b7bB1 PRO 1117 HG3 -0.01 -0.01 0.01 -0.04 2.03 1.99 2b7bB1 PRO 1117 HD2 -0.01 -0.01 0.05 -0.04 3.68 3.67 2b7bB1 PRO 1117 HD3 -0.01 -0.00 0.04 -0.04 3.65 3.64 2b7bB1 ALA 1118 H -0.02 0.08 0.08 -0.55 8.40 7.99 2b7bB1 ALA 1118 HA -0.01 0.14 0.66 -0.75 4.34 4.37 2b7bB1 ALA 1118 HB3 -0.02 -0.00 0.05 -0.04 1.41 1.40 2b7bB1 ALA 1119 H -0.02 0.10 0.18 -0.55 8.40 8.12 2b7bB1 ALA 1119 HA -0.02 0.08 0.55 -0.75 4.34 4.21 2b7bB1 ALA 1119 HB3 -0.01 0.01 0.15 -0.04 1.41 1.52 2b7bB1 LYS 1120 H -0.02 0.10 0.29 -0.55 8.42 8.23 2b7bB1 LYS 1120 HA -0.03 0.20 1.23 -0.75 4.32 4.96 2b7bB1 LYS 1120 HB2 -0.03 -0.09 0.01 -0.04 1.87 1.72 2b7bB1 LYS 1120 HB3 -0.04 0.04 0.08 -0.04 1.79 1.83 2b7bB1 LYS 1120 HG2 -0.03 -0.01 -0.28 -0.04 1.46 1.09 2b7bB1 LYS 1120 HG3 -0.03 0.16 -0.20 -0.04 1.46 1.35 2b7bB1 LYS 1120 HD2 -0.03 -0.03 -0.08 -0.04 1.69 1.51 2b7bB1 LYS 1120 HD3 -0.04 0.01 -0.18 -0.04 1.68 1.43 2b7bB1 LYS 1120 HE2 -0.03 -0.04 -0.10 -0.04 2.99 2.78 2b7bB1 LYS 1120 HE3 -0.02 0.02 -0.05 -0.04 2.99 2.90 2b7bB1 SER 1121 H -0.04 0.55 0.37 -0.55 8.46 8.79 2b7bB1 SER 1121 HA -0.02 0.11 0.83 -0.75 4.49 4.66 2b7bB1 SER 1121 HB2 -0.03 -0.07 0.06 -0.04 3.95 3.86 2b7bB1 SER 1121 HB3 -0.02 0.14 0.03 -0.04 3.93 4.03 2b7bB1 ILE 1122 H -0.02 0.31 0.10 -0.55 8.25 8.09 2b7bB1 ILE 1122 HA -0.04 0.20 1.05 -0.75 4.18 4.64 2b7bB1 ILE 1122 HB -0.02 -0.03 0.03 -0.04 1.89 1.83 2b7bB1 ILE 1122 HG12 -0.00 -0.03 -0.23 -0.04 1.49 1.18 2b7bB1 ILE 1122 HG13 -0.01 0.12 0.04 -0.04 1.21 1.31 2b7bB1 ILE 1122 HG23 -0.01 0.00 0.01 -0.04 0.93 0.89 2b7bB1 ILE 1122 HD13 -0.00 -0.01 -0.06 -0.04 0.88 0.76 2b7bB1 VAL 1123 H -0.03 0.78 0.46 -0.55 8.24 8.90 2b7bB1 VAL 1123 HA -0.00 0.21 1.11 -0.75 4.13 4.70 2b7bB1 VAL 1123 HB -0.03 -0.00 0.01 -0.04 2.12 2.06 2b7bB1 VAL 1123 HG13 0.01 -0.00 -0.15 -0.04 0.97 0.78 2b7bB1 VAL 1123 HG23 -0.03 -0.01 -0.22 -0.04 0.95 0.65 2b7bB1 THR 1124 H 0.01 0.56 0.35 -0.55 8.28 8.65 2b7bB1 THR 1124 HA 0.05 0.36 1.10 -0.75 4.39 5.14 2b7bB1 THR 1124 HB 0.01 -0.10 0.13 -0.04 4.32 4.32 2b7bB1 THR 1124 HG23 0.02 0.01 -0.22 -0.04 1.22 1.00 2b7bB1 LEU 1125 H 0.07 0.63 0.34 -0.55 8.37 8.87 2b7bB1 LEU 1125 HA 0.03 0.14 1.16 -0.75 4.35 4.92 2b7bB1 LEU 1125 HB2 0.09 -0.02 0.03 -0.04 1.64 1.70 2b7bB1 LEU 1125 HB3 0.05 0.03 -0.00 -0.04 1.64 1.68 2b7bB1 LEU 1125 HG 0.12 0.03 -0.17 -0.04 1.64 1.58 2b7bB1 LEU 1125 HD13 0.18 0.00 -0.14 -0.04 0.93 0.93 2b7bB1 LEU 1125 HD23 0.04 -0.01 -0.20 -0.04 0.89 0.68 2b7bB1 ASP 1126 H 0.01 0.90 0.43 -0.55 8.40 9.19 2b7bB1 ASP 1126 HA -0.00 0.33 1.01 -0.75 4.63 5.22 2b7bB1 ASP 1126 HB2 -0.00 -0.04 0.09 -0.04 2.71 2.72 2b7bB1 ASP 1126 HB3 -0.01 0.00 -0.05 -0.04 2.70 2.61 2b7bB1 VAL 1127 H -0.02 0.75 0.33 -0.55 8.24 8.75 2b7bB1 VAL 1127 HA -0.04 0.24 1.03 -0.75 4.13 4.60 2b7bB1 VAL 1127 HB -0.04 -0.11 0.20 -0.04 2.12 2.13 2b7bB1 VAL 1127 HG13 -0.06 0.02 -0.11 -0.04 0.97 0.78 2b7bB1 VAL 1127 HG23 -0.04 0.02 -0.14 -0.04 0.95 0.75 2b7bB1 LYS 1128 H -0.10 0.54 0.28 -0.55 8.42 8.58 2b7bB1 LYS 1128 HA -0.05 0.15 0.95 -0.75 4.32 4.62 2b7bB1 LYS 1128 HB2 -0.13 -0.04 0.08 -0.04 1.87 1.74 2b7bB1 LYS 1128 HB3 -0.12 0.16 0.00 -0.04 1.79 1.79 2b7bB1 LYS 1128 HG2 -0.05 0.01 -0.10 -0.04 1.46 1.28 2b7bB1 LYS 1128 HG3 -0.03 0.02 -0.08 -0.04 1.46 1.33 2b7bB1 LYS 1128 HD2 -0.02 0.00 -0.22 -0.04 1.69 1.42 2b7bB1 LYS 1128 HD3 -0.03 -0.15 -0.71 -0.04 1.68 0.75 2b7bB1 LYS 1128 HE2 -0.03 0.10 -0.28 -0.04 2.99 2.74 2b7bB1 LYS 1128 HE3 -0.06 0.08 -0.24 -0.04 2.99 2.73 2b7bB1 PRO 1129 HA -0.17 0.48 0.81 -0.51 4.44 5.05 2b7bB1 PRO 1129 HB2 0.04 -0.17 0.29 -0.04 2.28 2.40 2b7bB1 PRO 1129 HB3 0.02 0.02 0.15 -0.04 2.02 2.17 2b7bB1 PRO 1129 HG2 0.01 -0.04 -0.08 -0.04 2.03 1.87 2b7bB1 PRO 1129 HG3 0.03 0.18 0.14 -0.04 2.03 2.34 2b7bB1 PRO 1129 HD2 -0.02 0.03 0.16 -0.04 3.68 3.80 2b7bB1 PRO 1129 HD3 0.00 0.17 0.33 -0.04 3.65 4.12 2b7bB1 TRP 1130 H 0.15 0.11 0.23 -0.55 7.97 7.91 2b7bB1 TRP 1130 HA 0.00 0.19 0.76 -0.75 4.62 4.82 2b7bB1 TRP 1130 HB2 -0.02 -0.05 0.11 -0.04 3.23 3.23 2b7bB1 TRP 1130 HB3 -0.02 -0.04 0.02 -0.04 3.23 3.15 2b7bB1 TRP 1130 HD1 -0.03 0.03 -0.36 -0.04 7.22 6.82 2b7bB1 TRP 1130 HE1 0.00 0.69 -0.06 -0.04 10.20 10.79 2b7bB1 TRP 1130 HE3 -0.01 -0.05 0.07 -0.04 7.59 7.57 2b7bB1 TRP 1130 HZ2 0.01 0.04 0.05 -0.04 7.44 7.50 2b7bB1 TRP 1130 HZ3 -0.00 -0.05 0.02 -0.04 7.13 7.05 2b7bB1 TRP 1130 HH2 0.00 -0.03 0.04 -0.04 7.19 7.17 2b7bB1 ASP 1131 H 0.15 0.14 0.20 -0.55 8.40 8.35 2b7bB1 ASP 1131 HA 0.09 0.19 0.35 -0.75 4.63 4.50 2b7bB1 ASP 1131 HB2 0.06 -0.09 0.21 -0.04 2.71 2.84 2b7bB1 ASP 1131 HB3 0.10 0.30 0.00 -0.04 2.70 3.07 2b7bB1 ASP 1132 H 0.05 0.22 0.13 -0.55 8.40 8.25 2b7bB1 ASP 1132 HA 0.04 0.15 0.54 -0.75 4.63 4.60 2b7bB1 ASP 1132 HB2 0.03 0.07 0.18 -0.04 2.71 2.95 2b7bB1 ASP 1132 HB3 0.05 0.07 0.02 -0.04 2.70 2.80 2b7bB1 GLU 1133 H 0.04 -0.08 -0.59 -0.55 8.60 7.42 2b7bB1 GLU 1133 HA 0.01 0.25 0.90 -0.75 4.29 4.69 2b7bB1 GLU 1133 HB2 0.02 -0.00 -0.06 -0.04 2.09 2.00 2b7bB1 GLU 1133 HB3 0.00 0.02 0.05 -0.04 1.99 2.02 2b7bB1 GLU 1133 HG2 0.02 -0.14 -0.22 -0.04 2.34 1.96 2b7bB1 GLU 1133 HG3 0.01 0.03 -0.05 -0.04 2.34 2.28 2b7bB1 THR 1134 H 0.05 0.05 -0.01 -0.55 8.28 7.82 2b7bB1 THR 1134 HA 0.03 0.04 0.44 -0.75 4.39 4.15 2b7bB1 THR 1134 HB 0.07 0.08 0.21 -0.04 4.32 4.64 2b7bB1 THR 1134 HG23 0.11 0.08 -0.03 -0.04 1.22 1.34 2b7bB1 ASN 1135 H 0.05 0.14 0.21 -0.55 8.53 8.39 2b7bB1 ASN 1135 HA 0.00 0.08 0.46 -0.75 4.76 4.55 2b7bB1 ASN 1135 HB2 0.05 0.12 0.20 -0.04 2.88 3.21 2b7bB1 ASN 1135 HB3 0.17 -0.02 0.23 -0.04 2.79 3.13 2b7bB1 ASN 1135 HD21 0.02 0.03 0.01 -0.04 7.03 7.04 2b7bB1 ASN 1135 HD22 0.04 0.08 0.05 -0.04 7.74 7.86 2b7bB1 LEU 1136 H -0.09 0.26 0.28 -0.55 8.37 8.27 2b7bB1 LEU 1136 HA 0.04 0.11 0.40 -0.75 4.35 4.15 2b7bB1 LEU 1136 HB2 -0.61 -0.04 0.09 -0.04 1.64 1.04 2b7bB1 LEU 1136 HB3 -0.60 -0.00 -0.01 -0.04 1.64 0.98 2b7bB1 LEU 1136 HG -0.14 0.12 0.12 -0.04 1.64 1.69 2b7bB1 LEU 1136 HD13 -0.24 -0.01 -0.04 -0.04 0.93 0.60 2b7bB1 LEU 1136 HD23 0.05 0.00 -0.02 -0.04 0.89 0.88 2b7bB1 GLU 1137 H -0.08 0.12 -0.09 -0.55 8.60 8.00 2b7bB1 GLU 1137 HA 0.16 0.11 0.43 -0.75 4.29 4.24 2b7bB1 GLU 1137 HB2 -0.01 -0.03 0.07 -0.04 2.09 2.07 2b7bB1 GLU 1137 HB3 0.02 0.06 -0.04 -0.04 1.99 1.98 2b7bB1 GLU 1137 HG2 -0.06 -0.03 0.02 -0.04 2.34 2.23 2b7bB1 GLU 1137 HG3 0.01 0.04 0.01 -0.04 2.34 2.36 2b7bB1 GLU 1138 H 0.02 0.09 -0.40 -0.55 8.60 7.76 2b7bB1 GLU 1138 HA -0.06 0.09 0.42 -0.75 4.29 3.99 2b7bB1 GLU 1138 HB2 0.08 -0.04 0.10 -0.04 2.09 2.18 2b7bB1 GLU 1138 HB3 -0.12 0.07 -0.04 -0.04 1.99 1.86 2b7bB1 GLU 1138 HG2 -0.03 0.03 0.01 -0.04 2.34 2.31 2b7bB1 GLU 1138 HG3 0.00 -0.02 -0.01 -0.04 2.34 2.28 2b7bB1 MET 1139 H -0.00 0.32 -0.21 -0.55 8.47 8.03 2b7bB1 MET 1139 HA -0.21 0.04 0.34 -0.75 4.52 3.94 2b7bB1 MET 1139 HB2 0.06 0.04 0.02 -0.04 2.15 2.22 2b7bB1 MET 1139 HB3 0.06 0.10 0.12 -0.04 2.03 2.27 2b7bB1 MET 1139 HG2 -0.04 -0.02 -0.23 -0.04 2.63 2.30 2b7bB1 MET 1139 HG3 -0.05 -0.02 -0.11 -0.04 2.56 2.35 2b7bB1 MET 1139 HE3 0.09 0.03 -0.02 -0.04 2.10 2.15 2b7bB1 VAL 1140 H 0.00 0.44 -0.11 -0.55 8.24 8.02 2b7bB1 VAL 1140 HA -0.28 0.03 0.33 -0.75 4.13 3.46 2b7bB1 VAL 1140 HB -0.21 0.02 0.06 -0.04 2.12 1.95 2b7bB1 VAL 1140 HG13 -0.08 0.03 -0.03 -0.04 0.97 0.84 2b7bB1 VAL 1140 HG23 -0.89 -0.00 -0.04 -0.04 0.95 -0.03 2b7bB1 ALA 1141 H -0.12 0.39 -0.34 -0.55 8.40 7.78 2b7bB1 ALA 1141 HA -0.16 0.02 0.38 -0.75 4.34 3.83 2b7bB1 ALA 1141 HB3 -0.08 0.03 0.09 -0.04 1.41 1.41 2b7bB1 ASN 1142 H -0.18 0.55 -0.13 -0.55 8.53 8.22 2b7bB1 ASN 1142 HA -0.12 0.02 0.44 -0.75 4.76 4.35 2b7bB1 ASN 1142 HB2 -0.20 0.12 0.17 -0.04 2.88 2.93 2b7bB1 ASN 1142 HB3 -0.12 -0.01 -0.00 -0.04 2.79 2.62 2b7bB1 ASN 1142 HD21 -0.19 -0.07 -0.03 -0.04 7.03 6.71 2b7bB1 ASN 1142 HD22 -0.43 -0.02 -0.06 -0.04 7.74 7.19 2b7bB1 VAL 1143 H -0.26 0.42 -0.25 -0.55 8.24 7.60 2b7bB1 VAL 1143 HA -0.24 0.03 0.43 -0.75 4.13 3.60 2b7bB1 VAL 1143 HB -0.48 0.10 0.18 -0.04 2.12 1.88 2b7bB1 VAL 1143 HG13 -0.95 -0.02 -0.18 -0.04 0.97 -0.22 2b7bB1 VAL 1143 HG23 -0.20 0.03 -0.03 -0.04 0.95 0.71 2b7bB1 LYS 1144 H -0.51 0.72 -0.00 -0.55 8.42 8.07 2b7bB1 LYS 1144 HA -1.54 0.02 0.44 -0.75 4.32 2.49 2b7bB1 LYS 1144 HB2 -0.29 0.05 0.09 -0.04 1.87 1.68 2b7bB1 LYS 1144 HB3 -0.27 -0.06 0.06 -0.04 1.79 1.49 2b7bB1 LYS 1144 HG2 -0.76 -0.05 0.02 -0.04 1.46 0.63 2b7bB1 LYS 1144 HG3 -0.56 0.23 0.07 -0.04 1.46 1.17 2b7bB1 LYS 1144 HD2 -0.31 -0.03 -0.05 -0.04 1.69 1.26 2b7bB1 LYS 1144 HD3 -0.21 -0.04 -0.08 -0.04 1.68 1.31 2b7bB1 LYS 1144 HE2 -0.05 0.00 -0.02 -0.04 2.99 2.88 2b7bB1 LYS 1144 HE3 0.01 0.00 -0.02 -0.04 2.99 2.94 2b7bB1 ALA 1145 H -0.19 0.30 -0.56 -0.55 8.40 7.40 2b7bB1 ALA 1145 HA -0.01 -0.01 0.38 -0.75 4.34 3.95 2b7bB1 ALA 1145 HB3 -0.05 0.02 0.09 -0.04 1.41 1.44 2b7bB1 ILE 1146 H 0.01 0.41 -0.59 -0.55 8.25 7.52 2b7bB1 ILE 1146 HA 0.10 -0.02 0.49 -0.75 4.18 4.00 2b7bB1 ILE 1146 HB 0.37 0.20 0.16 -0.04 1.89 2.58 2b7bB1 ILE 1146 HG12 0.06 -0.06 -0.04 -0.04 1.49 1.41 2b7bB1 ILE 1146 HG13 0.01 0.24 0.07 -0.04 1.21 1.49 2b7bB1 ILE 1146 HG23 0.20 -0.05 -0.20 -0.04 0.93 0.84 2b7bB1 ILE 1146 HD13 0.07 -0.03 -0.11 -0.04 0.88 0.77 2b7bB1 GLU 1147 H 0.09 0.16 0.20 -0.55 8.60 8.50 2b7bB1 GLU 1147 HA 0.12 0.20 0.97 -0.75 4.29 4.83 2b7bB1 GLU 1147 HB2 0.05 -0.05 0.15 -0.04 2.09 2.20 2b7bB1 GLU 1147 HB3 0.05 -0.05 -0.02 -0.04 1.99 1.93 2b7bB1 GLU 1147 HG2 0.10 0.06 -0.14 -0.04 2.34 2.32 2b7bB1 GLU 1147 HG3 0.08 0.24 -0.05 -0.04 2.34 2.57 2b7bB1 MET 1148 H -0.01 0.31 0.15 -0.55 8.47 8.38 2b7bB1 MET 1148 HA -0.00 0.15 0.86 -0.75 4.52 4.77 2b7bB1 MET 1148 HB2 -0.07 -0.01 -0.07 -0.04 2.15 1.97 2b7bB1 MET 1148 HB3 -0.05 0.05 -0.17 -0.04 2.03 1.82 2b7bB1 MET 1148 HG2 -0.00 0.02 -0.00 -0.04 2.63 2.61 2b7bB1 MET 1148 HG3 0.03 0.06 -0.39 -0.04 2.56 2.21 2b7bB1 MET 1148 HE3 -0.03 -0.03 -0.01 -0.04 2.10 2.00 2b7bB1 GLU 1149 H -0.02 0.17 0.11 -0.55 8.60 8.32 2b7bB1 GLU 1149 HA -0.03 0.04 0.48 -0.75 4.29 4.03 2b7bB1 GLU 1149 HB2 -0.01 0.03 0.12 -0.04 2.09 2.18 2b7bB1 GLU 1149 HB3 -0.02 0.02 0.18 -0.04 1.99 2.13 2b7bB1 GLU 1149 HG2 -0.03 -0.01 -0.27 -0.04 2.34 1.99 2b7bB1 GLU 1149 HG3 -0.02 -0.02 -0.07 -0.04 2.34 2.18 2b7bB1 GLY 1150 H -0.05 0.18 0.24 -0.55 8.43 8.26 2b7bB1 GLY 1150 HA2 -0.06 -0.00 0.33 -0.51 4.01 3.78 2b7bB1 GLY 1150 HA3 -0.06 0.10 0.72 -0.51 4.01 4.27 2b7bB1 LEU 1151 H -0.11 0.43 0.04 -0.55 8.37 8.18 2b7bB1 LEU 1151 HA -0.23 0.22 1.01 -0.75 4.35 4.60 2b7bB1 LEU 1151 HB2 -0.23 -0.08 -0.11 -0.04 1.64 1.18 2b7bB1 LEU 1151 HB3 -0.20 0.19 0.14 -0.04 1.64 1.73 2b7bB1 LEU 1151 HG -0.74 -0.01 -0.34 -0.04 1.64 0.51 2b7bB1 LEU 1151 HD13 -0.90 -0.02 -0.13 -0.04 0.93 -0.16 2b7bB1 LEU 1151 HD23 -0.38 -0.01 -0.10 -0.04 0.89 0.36 2b7bB1 THR 1152 H -0.30 0.56 0.28 -0.55 8.28 8.27 2b7bB1 THR 1152 HA -0.19 0.20 1.03 -0.75 4.39 4.67 2b7bB1 THR 1152 HB -0.10 -0.12 0.18 -0.04 4.32 4.24 2b7bB1 THR 1152 HG23 -0.02 0.04 -0.07 -0.04 1.22 1.13 2b7bB1 TRP 1153 H -0.18 0.18 0.15 -0.55 7.97 7.58 2b7bB1 TRP 1153 HA -0.01 0.08 0.67 -0.75 4.62 4.60 2b7bB1 TRP 1153 HB2 -0.01 -0.03 0.13 -0.04 3.23 3.28 2b7bB1 TRP 1153 HB3 -0.01 0.09 0.09 -0.04 3.23 3.35 2b7bB1 TRP 1153 HD1 -0.02 0.01 0.11 -0.04 7.22 7.28 2b7bB1 TRP 1153 HE1 -0.02 0.44 0.10 -0.04 10.20 10.68 2b7bB1 TRP 1153 HE3 -0.03 0.17 0.01 -0.04 7.59 7.70 2b7bB1 TRP 1153 HZ2 -0.02 0.03 -0.01 -0.04 7.44 7.40 2b7bB1 TRP 1153 HZ3 -0.03 -0.05 -0.17 -0.04 7.13 6.84 2b7bB1 TRP 1153 HH2 -0.03 -0.07 -0.11 -0.04 7.19 6.94 2b7bB1 GLY 1154 H 0.28 0.66 0.23 -0.55 8.43 9.06 2b7bB1 GLY 1154 HA2 0.10 0.17 0.83 -0.51 4.01 4.60 2b7bB1 GLY 1154 HA3 0.08 -0.11 0.29 -0.51 4.01 3.76 2b7bB1 ALA 1155 H 0.05 0.04 0.14 -0.55 8.40 8.08 2b7bB1 ALA 1155 HA 0.01 0.10 0.43 -0.75 4.34 4.13 2b7bB1 ALA 1155 HB3 -0.02 -0.00 0.10 -0.04 1.41 1.45 2b7bB1 HIS 1156 H -0.23 0.26 0.25 -0.55 8.41 8.15 2b7bB1 HIS 1156 HA -0.09 0.29 0.84 -0.75 4.63 4.92 2b7bB1 HIS 1156 HB2 -0.21 -0.01 0.03 -0.04 3.26 3.04 2b7bB1 HIS 1156 HB3 -0.09 0.12 -0.14 -0.04 3.20 3.05 2b7bB1 HIS 1156 HD2 -0.06 0.12 -0.04 -0.04 6.97 6.94 2b7bB1 HIS 1156 HE1 -0.10 -0.04 -0.08 -0.04 7.75 7.48 2b7bB1 GLN 1157 H -0.10 0.62 0.40 -0.55 8.47 8.84 2b7bB1 GLN 1157 HA -0.24 0.15 0.84 -0.75 4.36 4.35 2b7bB1 GLN 1157 HB2 -0.05 0.00 -0.04 -0.04 2.15 2.02 2b7bB1 GLN 1157 HB3 -0.04 0.02 0.07 -0.04 2.02 2.03 2b7bB1 GLN 1157 HG2 -0.10 0.06 -0.07 -0.04 2.40 2.25 2b7bB1 GLN 1157 HG3 -0.11 -0.15 -0.61 -0.04 2.39 1.48 2b7bB1 GLN 1157 HE21 -0.03 0.00 -0.06 -0.04 6.97 6.85 2b7bB1 GLN 1157 HE22 -0.05 -0.03 -0.08 -0.04 7.69 7.50 2b7bB1 PHE 1158 H 0.08 0.22 0.15 -0.55 8.34 8.24 2b7bB1 PHE 1158 HA 0.03 0.35 0.90 -0.75 4.62 5.15 2b7bB1 PHE 1158 HB2 0.02 -0.03 0.17 -0.04 3.15 3.27 2b7bB1 PHE 1158 HB3 0.02 0.02 -0.02 -0.04 3.06 3.04 2b7bB1 PHE 1158 HD2 0.03 0.06 -0.09 -0.04 7.28 7.24 2b7bB1 PHE 1158 HE2 0.05 0.03 -0.08 -0.04 7.38 7.34 2b7bB1 PHE 1158 HZ 0.01 0.02 -0.22 -0.04 7.32 7.08 2b7bB1 ILE 1159 H 0.10 0.51 0.18 -0.55 8.25 8.48 2b7bB1 ILE 1159 HA 0.06 0.22 1.00 -0.75 4.18 4.71 2b7bB1 ILE 1159 HB 0.03 -0.04 0.03 -0.04 1.89 1.88 2b7bB1 ILE 1159 HG12 0.01 -0.02 -0.24 -0.04 1.49 1.20 2b7bB1 ILE 1159 HG13 0.01 0.01 -0.09 -0.04 1.21 1.09 2b7bB1 ILE 1159 HG23 0.02 0.07 -0.06 -0.04 0.93 0.92 2b7bB1 ILE 1159 HD13 0.01 0.03 -0.21 -0.04 0.88 0.68 2b7bB1 PRO 1160 HA 0.04 0.15 0.50 -0.51 4.44 4.63 2b7bB1 PRO 1160 HB2 0.01 0.01 0.02 -0.04 2.28 2.29 2b7bB1 PRO 1160 HB3 0.02 -0.05 0.02 -0.04 2.02 1.97 2b7bB1 PRO 1160 HG2 0.02 0.03 0.06 -0.04 2.03 2.10 2b7bB1 PRO 1160 HG3 0.03 0.05 -0.01 -0.04 2.03 2.07 2b7bB1 PRO 1160 HD2 0.03 0.09 0.22 -0.04 3.68 3.97 2b7bB1 PRO 1160 HD3 0.05 0.27 0.28 -0.04 3.65 4.22 2b7bB1 ILE 1161 H 0.04 0.59 0.38 -0.55 8.25 8.71 2b7bB1 ILE 1161 HA 0.03 0.19 0.89 -0.75 4.18 4.53 2b7bB1 ILE 1161 HB 0.05 -0.03 0.09 -0.04 1.89 1.95 2b7bB1 ILE 1161 HG12 0.05 0.21 -0.12 -0.04 1.49 1.60 2b7bB1 ILE 1161 HG13 0.08 0.04 -0.19 -0.04 1.21 1.10 2b7bB1 ILE 1161 HG23 0.03 0.03 -0.17 -0.04 0.93 0.78 2b7bB1 ILE 1161 HD13 0.04 -0.02 -0.18 -0.04 0.88 0.67 2b7bB1 GLY 1162 H 0.03 -0.01 0.10 -0.55 8.43 8.01 2b7bB1 GLY 1162 HA2 -0.10 -0.04 0.36 -0.51 4.01 3.73 2b7bB1 GLY 1162 HA3 0.05 0.29 0.86 -0.51 4.01 4.71 2b7bB1 PHE 1163 H -0.38 0.17 0.15 -0.55 8.34 7.73 2b7bB1 PHE 1163 HA 0.01 0.05 0.36 -0.75 4.62 4.29 2b7bB1 PHE 1163 HB2 0.01 0.20 -0.07 -0.04 3.15 3.25 2b7bB1 PHE 1163 HB3 0.01 0.02 0.21 -0.04 3.06 3.26 2b7bB1 PHE 1163 HD2 0.01 0.03 -0.14 -0.04 7.28 7.14 2b7bB1 PHE 1163 HE2 0.01 0.03 -0.01 -0.04 7.38 7.37 2b7bB1 PHE 1163 HZ 0.01 0.02 0.00 -0.04 7.32 7.30 2b7bB1 GLY 1164 H 0.02 0.02 -0.19 -0.55 8.43 7.74 2b7bB1 GLY 1164 HA2 0.03 -0.00 0.25 -0.51 4.01 3.78 2b7bB1 GLY 1164 HA3 0.05 0.11 0.42 -0.51 4.01 4.08 2b7bB1 ILE 1165 H 0.11 0.36 -0.61 -0.55 8.25 7.56 2b7bB1 ILE 1165 HA 0.05 0.10 0.59 -0.75 4.18 4.17 2b7bB1 ILE 1165 HB 0.09 0.00 0.03 -0.04 1.89 1.97 2b7bB1 ILE 1165 HG12 0.08 -0.11 -0.11 -0.04 1.49 1.30 2b7bB1 ILE 1165 HG13 0.15 0.10 -0.09 -0.04 1.21 1.33 2b7bB1 ILE 1165 HG23 0.05 0.00 -0.23 -0.04 0.93 0.71 2b7bB1 ILE 1165 HD13 0.08 -0.00 -0.06 -0.04 0.88 0.85 2b7bB1 LYS 1166 H 0.04 0.24 0.16 -0.55 8.42 8.31 2b7bB1 LYS 1166 HA 0.06 0.20 0.91 -0.75 4.32 4.74 2b7bB1 LYS 1166 HB2 0.03 -0.01 0.01 -0.04 1.87 1.87 2b7bB1 LYS 1166 HB3 0.13 0.01 -0.23 -0.04 1.79 1.65 2b7bB1 LYS 1166 HG2 0.05 -0.04 -0.33 -0.04 1.46 1.10 2b7bB1 LYS 1166 HG3 0.03 0.05 -0.36 -0.04 1.46 1.13 2b7bB1 LYS 1166 HD2 -0.04 -0.02 -0.07 -0.04 1.69 1.52 2b7bB1 LYS 1166 HD3 0.05 0.04 -0.16 -0.04 1.68 1.58 2b7bB1 LYS 1166 HE2 0.01 -0.04 -0.09 -0.04 2.99 2.84 2b7bB1 LYS 1166 HE3 -0.01 0.06 -0.05 -0.04 2.99 2.95 2b7bB1 LYS 1167 H 0.08 0.58 0.23 -0.55 8.42 8.75 2b7bB1 LYS 1167 HA 0.06 0.22 1.00 -0.75 4.32 4.85 2b7bB1 LYS 1167 HB2 0.01 0.04 -0.02 -0.04 1.87 1.87 2b7bB1 LYS 1167 HB3 0.03 -0.02 -0.05 -0.04 1.79 1.70 2b7bB1 LYS 1167 HG2 0.04 0.15 0.02 -0.04 1.46 1.62 2b7bB1 LYS 1167 HG3 0.03 -0.06 -0.40 -0.04 1.46 0.99 2b7bB1 LYS 1167 HD2 0.01 -0.03 -0.13 -0.04 1.69 1.49 2b7bB1 LYS 1167 HD3 0.01 0.00 -0.11 -0.04 1.68 1.55 2b7bB1 LYS 1167 HE2 0.02 0.04 -0.11 -0.04 2.99 2.90 2b7bB1 LYS 1167 HE3 0.01 -0.03 -0.12 -0.04 2.99 2.80 2b7bB1 LEU 1168 H 0.03 0.77 0.38 -0.55 8.37 9.00 2b7bB1 LEU 1168 HA -0.04 0.18 0.93 -0.75 4.35 4.67 2b7bB1 LEU 1168 HB2 0.06 -0.01 0.08 -0.04 1.64 1.72 2b7bB1 LEU 1168 HB3 -0.02 0.01 0.26 -0.04 1.64 1.84 2b7bB1 LEU 1168 HG -0.12 -0.04 -0.22 -0.04 1.64 1.23 2b7bB1 LEU 1168 HD13 -0.34 -0.01 -0.04 -0.04 0.93 0.50 2b7bB1 LEU 1168 HD23 -0.15 -0.01 -0.10 -0.04 0.89 0.59 2b7bB1 GLN 1169 H -0.11 0.62 0.34 -0.55 8.47 8.78 2b7bB1 GLN 1169 HA -0.01 0.42 1.09 -0.75 4.36 5.11 2b7bB1 GLN 1169 HB2 -0.01 -0.01 -0.11 -0.04 2.15 1.98 2b7bB1 GLN 1169 HB3 -0.02 -0.09 0.17 -0.04 2.02 2.04 2b7bB1 GLN 1169 HG2 0.00 -0.04 -0.14 -0.04 2.40 2.17 2b7bB1 GLN 1169 HG3 0.00 0.08 -0.05 -0.04 2.39 2.38 2b7bB1 GLN 1169 HE21 0.01 0.01 -0.08 -0.04 6.97 6.87 2b7bB1 GLN 1169 HE22 0.01 0.00 -0.11 -0.04 7.69 7.55 2b7bB1 ILE 1170 H 0.02 0.43 0.26 -0.55 8.25 8.41 2b7bB1 ILE 1170 HA 0.07 0.23 1.23 -0.75 4.18 4.96 2b7bB1 ILE 1170 HB -0.08 -0.08 -0.07 -0.04 1.89 1.62 2b7bB1 ILE 1170 HG12 0.30 0.18 0.02 -0.04 1.49 1.95 2b7bB1 ILE 1170 HG13 0.14 0.19 0.08 -0.04 1.21 1.57 2b7bB1 ILE 1170 HG23 0.03 -0.01 -0.05 -0.04 0.93 0.86 2b7bB1 ILE 1170 HD13 -0.34 -0.03 -0.03 -0.04 0.88 0.45 2b7bB1 ASN 1171 H 0.13 0.72 0.30 -0.55 8.53 9.13 2b7bB1 ASN 1171 HA 0.08 0.30 1.21 -0.75 4.76 5.60 2b7bB1 ASN 1171 HB2 0.06 -0.09 0.10 -0.04 2.88 2.91 2b7bB1 ASN 1171 HB3 0.04 -0.02 0.09 -0.04 2.79 2.86 2b7bB1 ASN 1171 HD21 0.01 0.00 -0.11 -0.04 7.03 6.89 2b7bB1 ASN 1171 HD22 0.02 -0.08 -0.04 -0.04 7.74 7.60 2b7bB1 CYS 1172 H 0.02 0.51 0.42 -0.55 8.50 8.90 2b7bB1 CYS 1172 HA -0.05 0.23 0.67 -0.75 4.58 4.68 2b7bB1 CYS 1172 HB2 -0.58 0.00 -0.08 -0.04 2.97 2.27 2b7bB1 CYS 1172 HB3 -0.10 0.08 -0.21 -0.04 2.97 2.69 2b7bB1 VAL 1173 H -0.15 0.66 0.38 -0.55 8.24 8.58 2b7bB1 VAL 1173 HA -0.07 0.19 1.11 -0.75 4.13 4.60 2b7bB1 VAL 1173 HB -0.07 0.01 0.12 -0.04 2.12 2.13 2b7bB1 VAL 1173 HG13 -0.05 -0.01 -0.15 -0.04 0.97 0.72 2b7bB1 VAL 1173 HG23 -0.03 -0.01 -0.09 -0.04 0.95 0.78 2b7bB1 VAL 1174 H -0.08 0.57 0.37 -0.55 8.24 8.56 2b7bB1 VAL 1174 HA -0.12 0.49 1.19 -0.75 4.13 4.94 2b7bB1 VAL 1174 HB -0.10 -0.00 -0.03 -0.04 2.12 1.95 2b7bB1 VAL 1174 HG13 -0.18 -0.02 -0.30 -0.04 0.97 0.43 2b7bB1 VAL 1174 HG23 -0.06 0.02 -0.09 -0.04 0.95 0.77 2b7bB1 GLU 1175 H -0.07 0.46 0.27 -0.55 8.60 8.72 2b7bB1 GLU 1175 HA -0.04 0.20 0.86 -0.75 4.29 4.56 2b7bB1 GLU 1175 HB2 -0.05 -0.01 0.26 -0.04 2.09 2.25 2b7bB1 GLU 1175 HB3 -0.03 -0.04 0.04 -0.04 1.99 1.92 2b7bB1 GLU 1175 HG2 -0.04 0.04 -0.09 -0.04 2.34 2.20 2b7bB1 GLU 1175 HG3 -0.05 0.11 0.00 -0.04 2.34 2.36 2b7bB1 ASP 1176 H -0.03 0.41 0.26 -0.55 8.40 8.49 2b7bB1 ASP 1176 HA -0.03 0.06 0.31 -0.75 4.63 4.22 2b7bB1 ASP 1176 HB2 -0.02 -0.07 0.14 -0.04 2.71 2.73 2b7bB1 ASP 1176 HB3 -0.02 0.02 -0.02 -0.04 2.70 2.64 2b7bB1 ASP 1177 H -0.02 0.08 -0.12 -0.55 8.40 7.79 2b7bB1 ASP 1177 HA -0.02 0.11 0.43 -0.75 4.63 4.41 2b7bB1 ASP 1177 HB2 -0.02 -0.02 0.03 -0.04 2.71 2.67 2b7bB1 ASP 1177 HB3 -0.01 0.03 0.17 -0.04 2.70 2.85 2b7bB1 LYS 1178 H -0.03 0.57 -0.47 -0.55 8.42 7.94 2b7bB1 LYS 1178 HA -0.02 0.19 1.05 -0.75 4.32 4.79 2b7bB1 LYS 1178 HB2 -0.03 -0.05 0.09 -0.04 1.87 1.83 2b7bB1 LYS 1178 HB3 -0.03 0.14 -0.01 -0.04 1.79 1.85 2b7bB1 LYS 1178 HG2 -0.02 0.02 -0.02 -0.04 1.46 1.41 2b7bB1 LYS 1178 HG3 -0.02 -0.05 -0.37 -0.04 1.46 0.97 2b7bB1 LYS 1178 HD2 -0.03 -0.07 -0.08 -0.04 1.69 1.47 2b7bB1 LYS 1178 HD3 -0.03 0.03 -0.17 -0.04 1.68 1.47 2b7bB1 LYS 1178 HE2 -0.02 0.01 -0.05 -0.04 2.99 2.90 2b7bB1 LYS 1178 HE3 -0.02 0.00 -0.06 -0.04 2.99 2.88 2b7bB1 VAL 1179 H -0.04 0.44 0.15 -0.55 8.24 8.24 2b7bB1 VAL 1179 HA -0.04 0.18 0.89 -0.75 4.13 4.41 2b7bB1 VAL 1179 HB -0.07 -0.06 -0.03 -0.04 2.12 1.91 2b7bB1 VAL 1179 HG13 -0.08 -0.02 -0.30 -0.04 0.97 0.53 2b7bB1 VAL 1179 HG23 -0.09 0.01 -0.30 -0.04 0.95 0.53 2b7bB1 SER 1180 H -0.02 0.21 0.10 -0.55 8.46 8.20 2b7bB1 SER 1180 HA -0.02 0.21 0.82 -0.75 4.49 4.75 2b7bB1 SER 1180 HB2 -0.01 0.15 0.02 -0.04 3.95 4.07 2b7bB1 SER 1180 HB3 -0.01 0.08 0.14 -0.04 3.93 4.10 2b7bB1 LEU 1181 H -0.02 0.28 0.10 -0.55 8.37 8.18 2b7bB1 LEU 1181 HA -0.01 0.11 0.32 -0.75 4.35 4.01 2b7bB1 LEU 1181 HB2 -0.01 -0.00 0.04 -0.04 1.64 1.63 2b7bB1 LEU 1181 HB3 -0.00 0.03 -0.03 -0.04 1.64 1.60 2b7bB1 LEU 1181 HG -0.02 0.05 0.00 -0.04 1.64 1.63 2b7bB1 LEU 1181 HD13 -0.01 0.01 -0.05 -0.04 0.93 0.84 2b7bB1 LEU 1181 HD23 -0.04 0.01 -0.14 -0.04 0.89 0.68 2b7bB1 ASP 1182 H -0.00 0.10 -0.16 -0.55 8.40 7.79 2b7bB1 ASP 1182 HA 0.01 0.13 0.40 -0.75 4.63 4.41 2b7bB1 ASP 1182 HB2 0.00 -0.05 0.08 -0.04 2.71 2.70 2b7bB1 ASP 1182 HB3 0.01 0.08 -0.07 -0.04 2.70 2.67 2b7bB1 ASP 1183 H 0.00 0.07 -0.21 -0.55 8.40 7.72 2b7bB1 ASP 1183 HA 0.01 0.09 0.35 -0.75 4.63 4.33 2b7bB1 ASP 1183 HB2 0.00 0.04 0.08 -0.04 2.71 2.79 2b7bB1 ASP 1183 HB3 0.01 0.05 -0.01 -0.04 2.70 2.71 2b7bB1 LEU 1184 H 0.01 0.37 -0.41 -0.55 8.37 7.80 2b7bB1 LEU 1184 HA 0.05 0.06 0.41 -0.75 4.35 4.12 2b7bB1 LEU 1184 HB2 0.00 0.02 -0.01 -0.04 1.64 1.62 2b7bB1 LEU 1184 HB3 0.02 0.07 0.09 -0.04 1.64 1.78 2b7bB1 LEU 1184 HG 0.13 -0.00 -0.27 -0.04 1.64 1.46 2b7bB1 LEU 1184 HD13 0.21 -0.00 -0.04 -0.04 0.93 1.06 2b7bB1 LEU 1184 HD23 -0.06 -0.01 -0.15 -0.04 0.89 0.63 2b7bB1 GLN 1185 H 0.03 0.59 -0.11 -0.55 8.47 8.43 2b7bB1 GLN 1185 HA 0.04 -0.00 0.34 -0.75 4.36 3.99 2b7bB1 GLN 1185 HB2 0.02 0.12 0.12 -0.04 2.15 2.37 2b7bB1 GLN 1185 HB3 0.01 -0.03 -0.02 -0.04 2.02 1.94 2b7bB1 GLN 1185 HG2 0.03 -0.06 -0.07 -0.04 2.40 2.26 2b7bB1 GLN 1185 HG3 0.02 0.19 0.04 -0.04 2.39 2.60 2b7bB1 GLN 1185 HE21 0.00 0.00 -0.17 -0.04 6.97 6.76 2b7bB1 GLN 1185 HE22 0.01 -0.06 -0.30 -0.04 7.69 7.30 2b7bB1 GLN 1186 H 0.02 0.34 -0.44 -0.55 8.47 7.85 2b7bB1 GLN 1186 HA 0.02 0.05 0.41 -0.75 4.36 4.09 2b7bB1 GLN 1186 HB2 0.02 -0.01 0.03 -0.04 2.15 2.15 2b7bB1 GLN 1186 HB3 0.02 0.10 0.10 -0.04 2.02 2.20 2b7bB1 GLN 1186 HG2 0.02 0.02 -0.15 -0.04 2.40 2.25 2b7bB1 GLN 1186 HG3 0.02 -0.00 -0.01 -0.04 2.39 2.36 2b7bB1 GLN 1186 HE21 0.02 -0.03 -0.04 -0.04 6.97 6.88 2b7bB1 GLN 1186 HE22 0.02 0.01 -0.04 -0.04 7.69 7.65 2b7bB1 SER 1187 H 0.04 0.48 -0.13 -0.55 8.46 8.29 2b7bB1 SER 1187 HA 0.03 0.01 0.34 -0.75 4.49 4.12 2b7bB1 SER 1187 HB2 0.06 0.07 0.20 -0.04 3.95 4.24 2b7bB1 SER 1187 HB3 0.06 -0.02 -0.04 -0.04 3.93 3.89 2b7bB1 ILE 1188 H 0.05 0.57 -0.12 -0.55 8.25 8.20 2b7bB1 ILE 1188 HA 0.01 0.05 0.34 -0.75 4.18 3.82 2b7bB1 ILE 1188 HB 0.02 0.05 0.05 -0.04 1.89 1.98 2b7bB1 ILE 1188 HG12 0.11 0.22 0.03 -0.04 1.49 1.81 2b7bB1 ILE 1188 HG13 0.10 -0.08 -0.07 -0.04 1.21 1.11 2b7bB1 ILE 1188 HG23 -0.03 -0.02 -0.21 -0.04 0.93 0.63 2b7bB1 ILE 1188 HD13 0.03 -0.00 -0.01 -0.04 0.88 0.86 2b7bB1 GLU 1189 H 0.02 0.42 -0.33 -0.55 8.60 8.16 2b7bB1 GLU 1189 HA -0.00 -0.01 0.19 -0.75 4.29 3.71 2b7bB1 GLU 1189 HB2 0.02 0.15 0.08 -0.04 2.09 2.30 2b7bB1 GLU 1189 HB3 0.02 -0.02 -0.02 -0.04 1.99 1.92 2b7bB1 GLU 1189 HG2 -0.04 -0.06 -0.19 -0.04 2.34 2.00 2b7bB1 GLU 1189 HG3 -0.01 0.01 -0.04 -0.04 2.34 2.26 2b7bB1 GLU 1190 H 0.03 0.44 -0.78 -0.55 8.60 7.75 2b7bB1 GLU 1190 HA 0.05 0.02 0.45 -0.75 4.29 4.06 2b7bB1 GLU 1190 HB2 0.03 0.29 0.12 -0.04 2.09 2.49 2b7bB1 GLU 1190 HB3 0.04 -0.12 0.08 -0.04 1.99 1.95 2b7bB1 GLU 1190 HG2 0.04 -0.07 0.03 -0.04 2.34 2.29 2b7bB1 GLU 1190 HG3 0.03 0.23 0.00 -0.04 2.34 2.56 2b7bB1 ASP 1191 H 0.04 0.52 -0.32 -0.55 8.40 8.09 2b7bB1 ASP 1191 HA 0.09 0.04 0.52 -0.75 4.63 4.54 2b7bB1 ASP 1191 HB2 0.00 0.13 0.12 -0.04 2.71 2.93 2b7bB1 ASP 1191 HB3 0.04 0.01 0.20 -0.04 2.70 2.91 2b7bB1 GLU 1192 H 0.13 0.57 -0.13 -0.55 8.60 8.62 2b7bB1 GLU 1192 HA 0.31 0.25 0.30 -0.75 4.29 4.39 2b7bB1 GLU 1192 HB2 0.11 -0.04 0.14 -0.04 2.09 2.25 2b7bB1 GLU 1192 HB3 0.12 -0.03 -0.08 -0.04 1.99 1.96 2b7bB1 GLU 1192 HG2 0.16 0.13 0.05 -0.04 2.34 2.64 2b7bB1 GLU 1192 HG3 0.09 -0.02 0.06 -0.04 2.34 2.43 2b7bB1 ASP 1193 H 0.18 0.05 -0.28 -0.55 8.40 7.80 2b7bB1 ASP 1193 HA 0.04 0.09 0.41 -0.75 4.63 4.42 2b7bB1 ASP 1193 HB2 0.08 -0.02 -0.02 -0.04 2.71 2.72 2b7bB1 ASP 1193 HB3 -0.20 -0.02 0.06 -0.04 2.70 2.49 2b7bB1 HIS 1194 H 0.36 0.43 -0.29 -0.55 8.41 8.37 2b7bB1 HIS 1194 HA 0.20 0.12 1.06 -0.75 4.63 5.25 2b7bB1 HIS 1194 HB2 0.03 0.06 0.02 -0.04 3.26 3.33 2b7bB1 HIS 1194 HB3 0.03 -0.06 -0.03 -0.04 3.20 3.09 2b7bB1 HIS 1194 HD2 0.03 0.04 -0.02 -0.04 6.97 6.98 2b7bB1 HIS 1194 HE1 0.03 0.01 -0.08 -0.04 7.75 7.67 2b7bB1 VAL 1195 H 0.14 0.55 0.15 -0.55 8.24 8.53 2b7bB1 VAL 1195 HA -0.18 0.16 0.72 -0.75 4.13 4.08 2b7bB1 VAL 1195 HB -0.01 0.06 -0.05 -0.04 2.12 2.07 2b7bB1 VAL 1195 HG13 -0.11 -0.02 -0.25 -0.04 0.97 0.55 2b7bB1 VAL 1195 HG23 -0.02 -0.02 -0.08 -0.04 0.95 0.80 2b7bB1 GLN 1196 H -0.51 0.89 0.39 -0.55 8.47 8.69 2b7bB1 GLN 1196 HA -1.62 0.14 0.70 -0.75 4.36 2.82 2b7bB1 GLN 1196 HB2 -1.59 -0.00 -0.23 -0.04 2.15 0.28 2b7bB1 GLN 1196 HB3 -0.59 0.02 -0.06 -0.04 2.02 1.34 2b7bB1 GLN 1196 HG2 -0.39 -0.07 -0.29 -0.04 2.40 1.62 2b7bB1 GLN 1196 HG3 -0.94 -0.04 0.02 -0.04 2.39 1.39 2b7bB1 GLN 1196 HE21 0.03 -0.03 -0.02 -0.04 6.97 6.91 2b7bB1 GLN 1196 HE22 -0.03 -0.05 -0.04 -0.04 7.69 7.53 2b7bB1 SER 1197 H -0.26 0.26 0.26 -0.55 8.46 8.17 2b7bB1 SER 1197 HA -0.10 0.12 0.43 -0.75 4.49 4.18 2b7bB1 SER 1197 HB2 -0.07 -0.02 0.14 -0.04 3.95 3.97 2b7bB1 SER 1197 HB3 -0.13 0.14 -0.19 -0.04 3.93 3.71 2b7bB1 THR 1198 H -0.04 0.25 0.22 -0.55 8.28 8.16 2b7bB1 THR 1198 HA -0.04 0.38 1.09 -0.75 4.39 5.07 2b7bB1 THR 1198 HB 0.00 -0.03 0.06 -0.04 4.32 4.32 2b7bB1 THR 1198 HG23 -0.02 -0.02 -0.18 -0.04 1.22 0.96 2b7bB1 ASP 1199 H -0.01 0.55 0.41 -0.55 8.40 8.81 2b7bB1 ASP 1199 HA -0.00 0.11 0.65 -0.75 4.63 4.63 2b7bB1 ASP 1199 HB2 -0.01 -0.02 -0.03 -0.04 2.71 2.61 2b7bB1 ASP 1199 HB3 -0.00 0.08 -0.00 -0.04 2.70 2.73 2b7bB1 ILE 1200 H 0.00 0.18 0.14 -0.55 8.25 8.03 2b7bB1 ILE 1200 HA 0.01 0.12 0.74 -0.75 4.18 4.30 2b7bB1 ILE 1200 HB 0.00 0.02 0.14 -0.04 1.89 2.01 2b7bB1 ILE 1200 HG12 0.01 -0.04 0.01 -0.04 1.49 1.42 2b7bB1 ILE 1200 HG13 0.00 0.01 -0.02 -0.04 1.21 1.16 2b7bB1 ILE 1200 HG23 0.00 -0.01 -0.11 -0.04 0.93 0.78 2b7bB1 ILE 1200 HD13 0.01 0.01 -0.10 -0.04 0.88 0.76 2b7bB1 ALA 1201 H 0.01 0.70 0.43 -0.55 8.40 8.99 2b7bB1 ALA 1201 HA 0.01 0.07 0.51 -0.75 4.34 4.17 2b7bB1 ALA 1201 HB3 0.01 -0.01 -0.06 -0.04 1.41 1.31 2b7bB1 ALA 1202 H 0.01 0.31 0.21 -0.55 8.40 8.38 2b7bB1 ALA 1202 HA 0.00 0.08 0.29 -0.75 4.34 3.96 2b7bB1 ALA 1202 HB3 0.00 0.07 0.03 -0.04 1.41 1.48 2b7bB1 MET 1203 H -0.00 0.30 0.21 -0.55 8.47 8.43 2b7bB1 MET 1203 HA -0.00 0.21 0.74 -0.75 4.52 4.72 2b7bB1 MET 1203 HB2 -0.01 0.08 0.09 -0.04 2.15 2.27 2b7bB1 MET 1203 HB3 -0.00 0.03 0.00 -0.04 2.03 2.02 2b7bB1 MET 1203 HG2 -0.00 -0.08 -0.10 -0.04 2.63 2.41 2b7bB1 MET 1203 HG3 -0.01 0.02 -0.09 -0.04 2.56 2.44 2b7bB1 MET 1203 HE3 -0.01 0.00 -0.08 -0.04 2.10 1.97 2b7bB1 GLN 1204 H -0.01 0.59 0.37 -0.55 8.47 8.88 2b7bB1 GLN 1204 HA -0.01 0.14 0.85 -0.75 4.36 4.59 2b7bB1 GLN 1204 HB2 -0.01 0.03 0.07 -0.04 2.15 2.20 2b7bB1 GLN 1204 HB3 -0.01 -0.04 0.22 -0.04 2.02 2.15 2b7bB1 GLN 1204 HG2 -0.00 -0.11 -0.39 -0.04 2.40 1.86 2b7bB1 GLN 1204 HG3 -0.00 0.01 -0.05 -0.04 2.39 2.30 2b7bB1 GLN 1204 HE21 -0.00 -0.00 0.01 -0.04 6.97 6.94 2b7bB1 GLN 1204 HE22 -0.00 -0.06 -0.09 -0.04 7.69 7.49 2b7bB1 ALA 1205 H -0.01 0.12 0.21 -0.55 8.40 8.18 2b7bB1 ALA 1205 HA -0.01 0.18 0.81 -0.75 4.34 4.57 2b7bB1 ALA 1205 HB3 -0.01 0.00 0.14 -0.04 1.41 1.50 2b7bB1 LEU 1206 H -0.01 0.21 0.16 -0.55 8.37 8.18 2b7bB1 LEU 1206 HA -0.01 0.22 0.59 -0.75 4.35 4.40 2b7bB1 LEU 1206 HB2 -0.02 -0.00 -0.15 -0.04 1.64 1.42 2b7bB1 LEU 1206 HB3 -0.02 0.03 0.02 -0.04 1.64 1.63 2b7bB1 LEU 1206 HG -0.02 -0.08 -0.48 -0.04 1.64 1.03 2b7bB1 LEU 1206 HD13 -0.02 -0.01 -0.16 -0.04 0.93 0.70 2b7bB1 LEU 1206 HD23 -0.01 0.04 0.05 -0.04 0.89 0.93