============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 27 1.000 -7.863 39.364 29.980 -99.200 -91.000 TYR 32 0.840 -2.823 40.126 28.426 -99.200 -91.000 TRP 36 1.040 -11.756 27.468 26.787 -99.200 -91.000 TRP6 36 1.020 -13.484 27.899 28.339 -99.200 -91.000 TRP 47 1.040 -3.550 23.357 27.475 -99.200 -91.000 TRP6 47 1.020 -3.274 22.986 25.175 -99.200 -91.000 TRP 52 1.040 -1.694 30.697 20.315 -99.200 -91.000 TRP6 52 1.020 0.258 31.158 21.555 -99.200 -91.000 TYR 59 0.840 -8.926 23.182 19.067 -99.200 -91.000 PHE 79 1.000 -18.486 32.732 22.901 -99.200 -91.000 HIS 86 0.900 -18.023 10.472 24.576 -99.200 -91.000 TYR 93 0.840 -15.436 20.975 31.031 -99.200 -91.000 TYR 94 0.840 -10.799 25.219 37.230 -99.200 -91.000 TYR 101 0.840 7.285 31.298 27.033 -99.200 -91.000 TYR 105 0.840 -4.681 38.186 37.067 -99.200 -91.000 TRP 106 1.040 -5.379 29.577 36.611 -99.200 -91.000 TRP6 106 1.020 -5.656 27.388 35.767 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1a7nH1 GLN 201 HA -0.06 -0.08 0.23 -0.75 4.36 3.68 1a7nH1 GLN 201 HB2 -0.02 0.01 -0.01 -0.04 2.15 2.09 1a7nH1 GLN 201 HB3 -0.01 -0.03 0.05 -0.04 2.02 1.99 1a7nH1 GLN 201 HG2 -0.02 -0.02 -0.08 -0.04 2.40 2.24 1a7nH1 GLN 201 HG3 -0.01 -0.02 -0.00 -0.04 2.39 2.32 1a7nH1 GLN 201 HE21 -0.01 -0.01 0.04 -0.04 6.97 6.94 1a7nH1 GLN 201 HE22 -0.01 -0.01 0.00 -0.04 7.69 7.63 1a7nH1 VAL 202 H -0.28 0.18 0.14 -0.55 8.24 7.74 1a7nH1 VAL 202 HA -0.09 0.26 0.78 -0.75 4.13 4.33 1a7nH1 VAL 202 HB -1.65 -0.04 0.07 -0.04 2.12 0.46 1a7nH1 VAL 202 HG13 -0.51 -0.03 -0.16 -0.04 0.97 0.23 1a7nH1 VAL 202 HG23 -0.46 0.01 -0.15 -0.04 0.95 0.32 1a7nH1 GLN 203 H 0.00 0.60 0.31 -0.55 8.47 8.83 1a7nH1 GLN 203 HA 0.00 0.08 0.65 -0.75 4.36 4.34 1a7nH1 GLN 203 HB2 -0.02 0.09 -0.30 -0.04 2.15 1.88 1a7nH1 GLN 203 HB3 -0.03 -0.03 -0.04 -0.04 2.02 1.88 1a7nH1 GLN 203 HG2 -0.00 -0.01 -0.19 -0.04 2.40 2.16 1a7nH1 GLN 203 HG3 0.01 0.02 0.01 -0.04 2.39 2.40 1a7nH1 GLN 203 HE21 -0.01 -0.01 -0.07 -0.04 6.97 6.84 1a7nH1 GLN 203 HE22 -0.01 0.00 -0.14 -0.04 7.69 7.51 1a7nH1 LEU 204 H 0.04 0.33 0.12 -0.55 8.37 8.31 1a7nH1 LEU 204 HA -0.01 0.26 0.75 -0.75 4.35 4.60 1a7nH1 LEU 204 HB2 0.03 -0.02 -0.18 -0.04 1.64 1.43 1a7nH1 LEU 204 HB3 -0.05 -0.04 -0.12 -0.04 1.64 1.39 1a7nH1 LEU 204 HG 0.13 0.12 -0.17 -0.04 1.64 1.69 1a7nH1 LEU 204 HD13 0.02 -0.04 -0.49 -0.04 0.93 0.38 1a7nH1 LEU 204 HD23 -0.10 0.00 -0.30 -0.04 0.89 0.45 1a7nH1 GLN 205 H -0.01 0.69 0.24 -0.55 8.47 8.85 1a7nH1 GLN 205 HA 0.05 0.01 0.94 -0.75 4.36 4.61 1a7nH1 GLN 205 HB2 0.01 0.04 0.09 -0.04 2.15 2.25 1a7nH1 GLN 205 HB3 0.03 0.08 0.04 -0.04 2.02 2.12 1a7nH1 GLN 205 HG2 0.04 0.05 0.02 -0.04 2.40 2.47 1a7nH1 GLN 205 HG3 0.02 -0.06 -0.32 -0.04 2.39 1.98 1a7nH1 GLN 205 HE21 0.02 0.00 -0.00 -0.04 6.97 6.94 1a7nH1 GLN 205 HE22 0.03 0.00 0.01 -0.04 7.69 7.70 1a7nH1 GLU 206 H 0.07 0.09 0.22 -0.55 8.60 8.43 1a7nH1 GLU 206 HA 0.11 0.39 1.00 -0.75 4.29 5.03 1a7nH1 GLU 206 HB2 0.12 0.00 -0.11 -0.04 2.09 2.06 1a7nH1 GLU 206 HB3 0.21 0.07 -0.06 -0.04 1.99 2.16 1a7nH1 GLU 206 HG2 0.26 0.15 -0.06 -0.04 2.34 2.65 1a7nH1 GLU 206 HG3 0.07 -0.00 -0.09 -0.04 2.34 2.29 1a7nH1 SER 207 H 0.12 0.58 0.44 -0.55 8.46 9.05 1a7nH1 SER 207 HA 0.05 0.14 0.79 -0.75 4.49 4.72 1a7nH1 SER 207 HB2 0.04 0.05 0.09 -0.04 3.95 4.09 1a7nH1 SER 207 HB3 0.04 0.05 0.06 -0.04 3.93 4.04 1a7nH1 GLY 208 H 0.02 0.24 0.23 -0.55 8.43 8.38 1a7nH1 GLY 208 HA2 -0.01 0.26 0.83 -0.51 4.01 4.57 1a7nH1 GLY 208 HA3 -0.02 0.01 0.34 -0.51 4.01 3.83 1a7nH1 PRO 209 HA -0.02 0.12 0.55 -0.51 4.44 4.58 1a7nH1 PRO 209 HB2 -0.04 0.09 -0.04 -0.04 2.28 2.25 1a7nH1 PRO 209 HB3 -0.04 0.00 0.10 -0.04 2.02 2.05 1a7nH1 PRO 209 HG2 -0.07 0.10 -0.12 -0.04 2.03 1.90 1a7nH1 PRO 209 HG3 -0.08 -0.03 0.06 -0.04 2.03 1.94 1a7nH1 PRO 209 HD2 -0.09 0.08 0.15 -0.04 3.68 3.78 1a7nH1 PRO 209 HD3 -0.07 0.34 0.27 -0.04 3.65 4.14 1a7nH1 GLY 210 H -0.02 0.09 -0.14 -0.55 8.43 7.81 1a7nH1 GLY 210 HA2 0.00 0.16 0.38 -0.51 4.01 4.04 1a7nH1 GLY 210 HA3 -0.00 0.05 0.58 -0.51 4.01 4.13 1a7nH1 LEU 211 H -0.01 0.15 0.27 -0.55 8.37 8.24 1a7nH1 LEU 211 HA -0.00 0.20 0.77 -0.75 4.35 4.56 1a7nH1 LEU 211 HB2 -0.00 -0.02 0.20 -0.04 1.64 1.77 1a7nH1 LEU 211 HB3 -0.01 0.03 -0.09 -0.04 1.64 1.53 1a7nH1 LEU 211 HG -0.00 -0.02 0.01 -0.04 1.64 1.60 1a7nH1 LEU 211 HD13 0.00 0.04 -0.02 -0.04 0.93 0.91 1a7nH1 LEU 211 HD23 0.00 -0.01 -0.03 -0.04 0.89 0.81 1a7nH1 VAL 212 H -0.01 0.65 0.45 -0.55 8.24 8.77 1a7nH1 VAL 212 HA -0.02 0.12 0.75 -0.75 4.13 4.22 1a7nH1 VAL 212 HB -0.04 -0.05 -0.14 -0.04 2.12 1.85 1a7nH1 VAL 212 HG13 -0.05 0.06 -0.03 -0.04 0.97 0.91 1a7nH1 VAL 212 HG23 -0.05 0.04 -0.39 -0.04 0.95 0.51 1a7nH1 ALA 213 H -0.03 0.11 0.13 -0.55 8.40 8.07 1a7nH1 ALA 213 HA -0.02 0.20 0.41 -0.75 4.34 4.17 1a7nH1 ALA 213 HB3 -0.02 0.00 0.07 -0.04 1.41 1.42 1a7nH1 PRO 214 HA -0.07 0.04 0.14 -0.51 4.44 4.04 1a7nH1 PRO 214 HB2 -0.05 0.06 -0.11 -0.04 2.28 2.14 1a7nH1 PRO 214 HB3 -0.05 -0.03 0.00 -0.04 2.02 1.90 1a7nH1 PRO 214 HG2 -0.02 0.05 0.00 -0.04 2.03 2.02 1a7nH1 PRO 214 HG3 -0.01 0.02 -0.07 -0.04 2.03 1.92 1a7nH1 PRO 214 HD2 -0.02 0.07 0.04 -0.04 3.68 3.73 1a7nH1 PRO 214 HD3 -0.02 0.09 -0.27 -0.04 3.65 3.41 1a7nH1 SER 215 H -0.16 0.68 0.19 -0.55 8.46 8.62 1a7nH1 SER 215 HA -0.14 -0.00 0.37 -0.75 4.49 3.97 1a7nH1 SER 215 HB2 -0.06 0.29 0.16 -0.04 3.95 4.30 1a7nH1 SER 215 HB3 -0.06 -0.06 0.15 -0.04 3.93 3.92 1a7nH1 GLN 216 H -0.07 0.32 -0.49 -0.55 8.47 7.68 1a7nH1 GLN 216 HA -0.05 0.15 0.73 -0.75 4.36 4.43 1a7nH1 GLN 216 HB2 -0.05 0.08 0.04 -0.04 2.15 2.18 1a7nH1 GLN 216 HB3 -0.05 -0.07 0.22 -0.04 2.02 2.08 1a7nH1 GLN 216 HG2 -0.04 0.13 -0.13 -0.04 2.40 2.32 1a7nH1 GLN 216 HG3 -0.04 -0.08 0.05 -0.04 2.39 2.29 1a7nH1 GLN 216 HE21 -0.03 -0.02 -0.05 -0.04 6.97 6.82 1a7nH1 GLN 216 HE22 -0.03 0.06 -0.11 -0.04 7.69 7.56 1a7nH1 SER 217 H -0.06 0.14 0.20 -0.55 8.46 8.20 1a7nH1 SER 217 HA -0.07 0.26 1.01 -0.75 4.49 4.94 1a7nH1 SER 217 HB2 -0.07 0.08 0.10 -0.04 3.95 4.02 1a7nH1 SER 217 HB3 -0.06 -0.07 0.07 -0.04 3.93 3.83 1a7nH1 LEU 218 H -0.10 0.76 0.38 -0.55 8.37 8.86 1a7nH1 LEU 218 HA -0.10 0.11 0.84 -0.75 4.35 4.45 1a7nH1 LEU 218 HB2 -0.13 0.01 -0.20 -0.04 1.64 1.29 1a7nH1 LEU 218 HB3 -0.15 -0.03 0.13 -0.04 1.64 1.55 1a7nH1 LEU 218 HG -0.24 0.03 -0.35 -0.04 1.64 1.04 1a7nH1 LEU 218 HD13 -0.19 0.00 -0.12 -0.04 0.93 0.58 1a7nH1 LEU 218 HD23 -0.42 -0.01 -0.20 -0.04 0.89 0.22 1a7nH1 SER 219 H -0.11 0.27 0.17 -0.55 8.46 8.24 1a7nH1 SER 219 HA -0.13 0.36 1.13 -0.75 4.49 5.10 1a7nH1 SER 219 HB2 -0.09 -0.00 -0.13 -0.04 3.95 3.69 1a7nH1 SER 219 HB3 -0.06 -0.03 0.02 -0.04 3.93 3.82 1a7nH1 ILE 220 H -0.18 0.76 0.42 -0.55 8.25 8.69 1a7nH1 ILE 220 HA -0.03 0.27 1.14 -0.75 4.18 4.81 1a7nH1 ILE 220 HB -0.49 -0.07 0.03 -0.04 1.89 1.32 1a7nH1 ILE 220 HG12 -0.16 -0.01 -0.05 -0.04 1.49 1.23 1a7nH1 ILE 220 HG13 -0.27 -0.07 -0.41 -0.04 1.21 0.41 1a7nH1 ILE 220 HG23 0.24 0.02 -0.19 -0.04 0.93 0.96 1a7nH1 ILE 220 HD13 -0.58 -0.00 -0.14 -0.04 0.88 0.11 1a7nH1 THR 221 H 0.13 0.72 0.40 -0.55 8.28 8.98 1a7nH1 THR 221 HA 0.23 0.25 1.10 -0.75 4.39 5.21 1a7nH1 THR 221 HB 0.13 -0.02 0.10 -0.04 4.32 4.50 1a7nH1 THR 221 HG23 0.07 -0.01 -0.18 -0.04 1.22 1.06 1a7nH1 CYS 222 H 0.07 0.78 0.35 -0.55 8.50 9.15 1a7nH1 CYS 222 HA 0.04 0.12 0.72 -0.75 4.58 4.71 1a7nH1 CYS 222 HB2 -0.32 -0.03 -0.10 -0.04 2.97 2.48 1a7nH1 CYS 222 HB3 -0.10 0.00 0.16 -0.04 2.97 2.99 1a7nH1 THR 223 H -0.01 0.82 0.32 -0.55 8.28 8.86 1a7nH1 THR 223 HA -0.10 0.24 1.06 -0.75 4.39 4.83 1a7nH1 THR 223 HB -0.02 -0.07 0.11 -0.04 4.32 4.30 1a7nH1 THR 223 HG23 -0.05 0.03 -0.07 -0.04 1.22 1.09 1a7nH1 VAL 224 H -0.17 0.70 0.40 -0.55 8.24 8.63 1a7nH1 VAL 224 HA -0.11 0.29 1.04 -0.75 4.13 4.60 1a7nH1 VAL 224 HB -0.36 0.03 0.07 -0.04 2.12 1.83 1a7nH1 VAL 224 HG13 -0.11 -0.01 -0.20 -0.04 0.97 0.62 1a7nH1 VAL 224 HG23 -0.64 0.01 -0.13 -0.04 0.95 0.15 1a7nH1 SER 225 H -0.12 0.60 0.40 -0.55 8.46 8.79 1a7nH1 SER 225 HA -0.18 0.15 0.93 -0.75 4.49 4.64 1a7nH1 SER 225 HB2 -0.06 -0.05 0.00 -0.04 3.95 3.80 1a7nH1 SER 225 HB3 -0.06 0.02 -0.00 -0.04 3.93 3.84 1a7nH1 GLY 226 H -0.11 0.13 0.18 -0.55 8.43 8.09 1a7nH1 GLY 226 HA2 -0.03 -0.02 0.40 -0.51 4.01 3.85 1a7nH1 GLY 226 HA3 -0.02 0.52 0.76 -0.51 4.01 4.76 1a7nH1 PHE 227 H -0.30 0.30 -0.11 -0.55 8.34 7.67 1a7nH1 PHE 227 HA -0.03 0.12 0.63 -0.75 4.62 4.59 1a7nH1 PHE 227 HB2 -0.21 -0.04 0.03 -0.04 3.15 2.89 1a7nH1 PHE 227 HB3 -0.28 0.15 -0.20 -0.04 3.06 2.69 1a7nH1 PHE 227 HD2 -0.17 0.12 -0.30 -0.04 7.28 6.89 1a7nH1 PHE 227 HE2 -0.16 0.03 -0.19 -0.04 7.38 7.02 1a7nH1 PHE 227 HZ -0.20 -0.02 -0.17 -0.04 7.32 6.89 1a7nH1 SER 228 H 0.27 0.18 0.13 -0.55 8.46 8.50 1a7nH1 SER 228 HA -0.09 0.18 0.74 -0.75 4.49 4.57 1a7nH1 SER 228 HB2 0.02 0.12 0.06 -0.04 3.95 4.10 1a7nH1 SER 228 HB3 0.10 0.06 0.13 -0.04 3.93 4.18 1a7nH1 LEU 229 H -0.07 0.25 0.20 -0.55 8.37 8.20 1a7nH1 LEU 229 HA 0.13 0.13 0.34 -0.75 4.35 4.20 1a7nH1 LEU 229 HB2 -0.04 -0.02 0.15 -0.04 1.64 1.69 1a7nH1 LEU 229 HB3 0.01 0.04 0.04 -0.04 1.64 1.69 1a7nH1 LEU 229 HG -0.21 0.05 -0.01 -0.04 1.64 1.42 1a7nH1 LEU 229 HD13 -0.10 0.00 -0.23 -0.04 0.93 0.56 1a7nH1 LEU 229 HD23 -0.03 0.01 -0.15 -0.04 0.89 0.68 1a7nH1 THR 230 H 0.07 -0.04 -0.42 -0.55 8.28 7.34 1a7nH1 THR 230 HA 0.06 0.38 0.81 -0.75 4.39 4.88 1a7nH1 THR 230 HB 0.03 0.04 0.08 -0.04 4.32 4.43 1a7nH1 THR 230 HG23 0.03 0.00 0.00 -0.04 1.22 1.21 1a7nH1 GLY 231 H 0.15 0.32 -0.16 -0.55 8.43 8.19 1a7nH1 GLY 231 HA2 -0.08 0.18 0.86 -0.51 4.01 4.46 1a7nH1 GLY 231 HA3 -0.14 -0.02 0.33 -0.51 4.01 3.67 1a7nH1 TYR 232 H 0.20 0.30 -0.13 -0.55 8.29 8.11 1a7nH1 TYR 232 HA -0.01 0.15 0.87 -0.75 4.56 4.81 1a7nH1 TYR 232 HB2 0.13 -0.03 -0.10 -0.04 3.06 3.02 1a7nH1 TYR 232 HB3 -0.14 0.08 0.08 -0.04 2.98 2.96 1a7nH1 TYR 232 HD2 0.05 0.13 -0.09 -0.04 7.15 7.19 1a7nH1 TYR 232 HE2 0.00 -0.06 -0.03 -0.04 6.85 6.73 1a7nH1 GLY 233 H -0.01 0.38 0.32 -0.55 8.43 8.58 1a7nH1 GLY 233 HA2 -0.06 0.29 0.84 -0.51 4.01 4.56 1a7nH1 GLY 233 HA3 -0.30 -0.07 0.34 -0.51 4.01 3.47 1a7nH1 VAL 234 H -0.16 0.58 0.32 -0.55 8.24 8.43 1a7nH1 VAL 234 HA -0.24 0.27 0.94 -0.75 4.13 4.35 1a7nH1 VAL 234 HB -0.15 -0.01 0.07 -0.04 2.12 1.98 1a7nH1 VAL 234 HG13 -0.51 -0.02 -0.17 -0.04 0.97 0.22 1a7nH1 VAL 234 HG23 -0.03 0.00 -0.25 -0.04 0.95 0.63 1a7nH1 ASN 235 H -0.36 0.78 0.32 -0.55 8.53 8.73 1a7nH1 ASN 235 HA -0.20 0.16 1.03 -0.75 4.76 5.00 1a7nH1 ASN 235 HB2 -0.28 -0.01 -0.03 -0.04 2.88 2.52 1a7nH1 ASN 235 HB3 -0.03 0.06 -0.08 -0.04 2.79 2.70 1a7nH1 ASN 235 HD21 -0.20 -0.04 -0.24 -0.04 7.03 6.51 1a7nH1 ASN 235 HD22 -0.24 -0.03 -0.32 -0.04 7.74 7.12 1a7nH1 TRP 236 H -0.15 0.72 0.39 -0.55 7.97 8.38 1a7nH1 TRP 236 HA -0.06 0.32 0.93 -0.75 4.62 5.06 1a7nH1 TRP 236 HB2 -0.19 -0.06 0.06 -0.04 3.23 3.00 1a7nH1 TRP 236 HB3 -0.03 0.02 -0.04 -0.04 3.23 3.15 1a7nH1 TRP 236 HD1 -0.11 -0.02 -0.23 -0.04 7.22 6.81 1a7nH1 TRP 236 HE1 -0.05 0.04 -0.31 -0.04 10.20 9.84 1a7nH1 TRP 236 HE3 0.11 0.11 -0.18 -0.04 7.59 7.59 1a7nH1 TRP 236 HZ2 -0.06 0.08 -0.41 -0.04 7.44 7.01 1a7nH1 TRP 236 HZ3 0.07 -0.01 -0.37 -0.04 7.13 6.78 1a7nH1 TRP 236 HH2 -0.00 -0.01 -0.47 -0.04 7.19 6.66 1a7nH1 VAL 237 H 0.30 0.77 0.35 -0.55 8.24 9.10 1a7nH1 VAL 237 HA 0.15 0.15 0.94 -0.75 4.13 4.60 1a7nH1 VAL 237 HB 0.39 -0.01 -0.06 -0.04 2.12 2.40 1a7nH1 VAL 237 HG13 0.37 0.01 -0.20 -0.04 0.97 1.11 1a7nH1 VAL 237 HG23 0.12 -0.03 -0.33 -0.04 0.95 0.67 1a7nH1 ARG 238 H 0.11 0.68 0.38 -0.55 8.46 9.08 1a7nH1 ARG 238 HA -0.05 0.33 1.18 -0.75 4.34 5.05 1a7nH1 ARG 238 HB2 -0.88 0.04 -0.07 -0.04 1.90 0.94 1a7nH1 ARG 238 HB3 -0.53 -0.08 -0.17 -0.04 1.80 0.97 1a7nH1 ARG 238 HG2 -0.06 -0.02 -0.03 -0.04 1.67 1.52 1a7nH1 ARG 238 HG3 -0.12 0.04 -0.32 -0.04 1.67 1.23 1a7nH1 ARG 238 HD2 -0.34 0.10 -0.21 -0.04 3.22 2.73 1a7nH1 ARG 238 HD3 -0.12 -0.05 -0.15 -0.04 3.22 2.86 1a7nH1 GLN 239 H -0.12 0.46 0.18 -0.55 8.47 8.45 1a7nH1 GLN 239 HA 0.04 0.35 0.75 -0.75 4.36 4.75 1a7nH1 GLN 239 HB2 0.21 -0.07 -0.26 -0.04 2.15 2.00 1a7nH1 GLN 239 HB3 0.16 -0.08 0.07 -0.04 2.02 2.13 1a7nH1 GLN 239 HG2 0.06 -0.02 -0.27 -0.04 2.40 2.12 1a7nH1 GLN 239 HG3 0.06 0.22 -0.28 -0.04 2.39 2.34 1a7nH1 GLN 239 HE21 0.00 -0.10 -0.05 -0.04 6.97 6.79 1a7nH1 GLN 239 HE22 0.03 0.35 0.04 -0.04 7.69 8.07 1a7nH1 PRO 240 HA -0.00 0.23 0.59 -0.51 4.44 4.76 1a7nH1 PRO 240 HB2 0.01 -0.02 -0.01 -0.04 2.28 2.22 1a7nH1 PRO 240 HB3 0.01 0.15 0.14 -0.04 2.02 2.29 1a7nH1 PRO 240 HG2 0.01 -0.02 0.03 -0.04 2.03 2.02 1a7nH1 PRO 240 HG3 -0.01 0.08 0.01 -0.04 2.03 2.07 1a7nH1 PRO 240 HD2 0.02 0.16 0.11 -0.04 3.68 3.93 1a7nH1 PRO 240 HD3 -0.00 0.13 0.03 -0.04 3.65 3.76 1a7nH1 PRO 241 HA 0.02 -0.00 0.43 -0.51 4.44 4.37 1a7nH1 PRO 241 HB2 0.02 0.02 0.07 -0.04 2.28 2.34 1a7nH1 PRO 241 HB3 0.02 0.01 0.07 -0.04 2.02 2.07 1a7nH1 PRO 241 HG2 0.02 0.02 0.04 -0.04 2.03 2.07 1a7nH1 PRO 241 HG3 0.02 0.02 0.04 -0.04 2.03 2.06 1a7nH1 PRO 241 HD2 0.02 0.12 0.18 -0.04 3.68 3.96 1a7nH1 PRO 241 HD3 0.02 0.20 0.13 -0.04 3.65 3.95 1a7nH1 GLY 242 H 0.02 0.10 0.18 -0.55 8.43 8.18 1a7nH1 GLY 242 HA2 0.01 -0.02 0.34 -0.51 4.01 3.84 1a7nH1 GLY 242 HA3 0.01 0.02 0.38 -0.51 4.01 3.91 1a7nH1 LYS 243 H 0.02 0.57 -0.35 -0.55 8.42 8.11 1a7nH1 LYS 243 HA 0.01 0.08 0.71 -0.75 4.32 4.37 1a7nH1 LYS 243 HB2 0.02 0.10 -0.06 -0.04 1.87 1.88 1a7nH1 LYS 243 HB3 0.02 -0.13 0.12 -0.04 1.79 1.76 1a7nH1 LYS 243 HG2 0.01 0.01 -0.10 -0.04 1.46 1.34 1a7nH1 LYS 243 HG3 0.01 0.14 -0.28 -0.04 1.46 1.29 1a7nH1 LYS 243 HD2 0.02 0.02 -0.04 -0.04 1.69 1.64 1a7nH1 LYS 243 HD3 0.02 -0.05 0.00 -0.04 1.68 1.61 1a7nH1 LYS 243 HE2 0.01 -0.03 -0.02 -0.04 2.99 2.92 1a7nH1 LYS 243 HE3 0.01 0.02 -0.04 -0.04 2.99 2.94 1a7nH1 GLY 244 H 0.02 0.05 0.10 -0.55 8.43 8.06 1a7nH1 GLY 244 HA2 0.02 0.16 0.65 -0.51 4.01 4.33 1a7nH1 GLY 244 HA3 0.03 -0.01 0.34 -0.51 4.01 3.86 1a7nH1 LEU 245 H 0.04 0.05 0.16 -0.55 8.37 8.08 1a7nH1 LEU 245 HA 0.11 0.28 0.62 -0.75 4.35 4.61 1a7nH1 LEU 245 HB2 0.11 -0.05 0.04 -0.04 1.64 1.70 1a7nH1 LEU 245 HB3 0.18 -0.01 -0.04 -0.04 1.64 1.73 1a7nH1 LEU 245 HG 0.00 -0.05 0.04 -0.04 1.64 1.59 1a7nH1 LEU 245 HD13 -0.04 -0.00 -0.05 -0.04 0.93 0.79 1a7nH1 LEU 245 HD23 0.02 0.02 -0.16 -0.04 0.89 0.74 1a7nH1 GLU 246 H 0.13 0.67 0.36 -0.55 8.60 9.22 1a7nH1 GLU 246 HA 0.15 0.10 0.86 -0.75 4.29 4.64 1a7nH1 GLU 246 HB2 0.07 0.06 -0.07 -0.04 2.09 2.11 1a7nH1 GLU 246 HB3 0.06 0.04 0.11 -0.04 1.99 2.17 1a7nH1 GLU 246 HG2 0.10 -0.00 -0.37 -0.04 2.34 2.03 1a7nH1 GLU 246 HG3 0.12 -0.03 -0.01 -0.04 2.34 2.37 1a7nH1 TRP 247 H 0.34 0.15 0.10 -0.55 7.97 8.01 1a7nH1 TRP 247 HA 0.10 0.11 0.65 -0.75 4.62 4.72 1a7nH1 TRP 247 HB2 0.06 0.02 0.06 -0.04 3.23 3.33 1a7nH1 TRP 247 HB3 0.06 -0.03 0.08 -0.04 3.23 3.30 1a7nH1 TRP 247 HD1 0.00 0.01 -0.07 -0.04 7.22 7.13 1a7nH1 TRP 247 HE1 -0.09 -0.02 -0.13 -0.04 10.20 9.92 1a7nH1 TRP 247 HE3 0.07 -0.04 -0.28 -0.04 7.59 7.30 1a7nH1 TRP 247 HZ2 -0.08 -0.01 -0.27 -0.04 7.44 7.04 1a7nH1 TRP 247 HZ3 0.08 0.08 -0.56 -0.04 7.13 6.68 1a7nH1 TRP 247 HH2 0.03 -0.03 -0.34 -0.04 7.19 6.80 1a7nH1 LEU 248 H -0.40 0.61 0.42 -0.55 8.37 8.45 1a7nH1 LEU 248 HA -0.09 0.09 0.80 -0.75 4.35 4.40 1a7nH1 LEU 248 HB2 -0.04 0.03 -0.02 -0.04 1.64 1.57 1a7nH1 LEU 248 HB3 -0.03 -0.02 -0.06 -0.04 1.64 1.49 1a7nH1 LEU 248 HG 0.04 0.05 -0.16 -0.04 1.64 1.53 1a7nH1 LEU 248 HD13 0.15 -0.00 -0.23 -0.04 0.93 0.80 1a7nH1 LEU 248 HD23 0.04 0.01 -0.21 -0.04 0.89 0.69 1a7nH1 GLY 249 H -1.18 0.35 0.35 -0.55 8.43 7.41 1a7nH1 GLY 249 HA2 -1.61 0.01 0.29 -0.51 4.01 2.19 1a7nH1 GLY 249 HA3 -0.49 0.17 0.70 -0.51 4.01 3.89 1a7nH1 MET 250 H -0.31 0.67 0.45 -0.55 8.47 8.73 1a7nH1 MET 250 HA -0.13 0.23 0.81 -0.75 4.52 4.69 1a7nH1 MET 250 HB2 -0.26 0.03 -0.12 -0.04 2.15 1.76 1a7nH1 MET 250 HB3 0.07 -0.01 -0.19 -0.04 2.03 1.87 1a7nH1 MET 250 HG2 0.16 -0.04 -0.07 -0.04 2.63 2.64 1a7nH1 MET 250 HG3 -0.33 0.01 -0.42 -0.04 2.56 1.79 1a7nH1 MET 250 HE3 -1.28 -0.00 -0.22 -0.04 2.10 0.56 1a7nH1 ILE 251 H -0.13 0.58 0.32 -0.55 8.25 8.47 1a7nH1 ILE 251 HA 0.03 0.27 0.89 -0.75 4.18 4.62 1a7nH1 ILE 251 HB 0.06 -0.00 -0.14 -0.04 1.89 1.77 1a7nH1 ILE 251 HG12 0.08 0.05 -0.17 -0.04 1.49 1.41 1a7nH1 ILE 251 HG13 0.11 0.12 -0.16 -0.04 1.21 1.24 1a7nH1 ILE 251 HG23 0.02 0.00 0.01 -0.04 0.93 0.93 1a7nH1 ILE 251 HD13 0.10 -0.00 -0.13 -0.04 0.88 0.81 1a7nH1 TRP 252 H 0.33 0.84 0.19 -0.55 7.97 8.79 1a7nH1 TRP 252 HA 0.01 0.04 0.56 -0.75 4.62 4.48 1a7nH1 TRP 252 HB2 0.01 -0.05 0.06 -0.04 3.23 3.21 1a7nH1 TRP 252 HB3 -0.00 -0.07 0.03 -0.04 3.23 3.15 1a7nH1 TRP 252 HD1 0.01 0.18 -0.35 -0.04 7.22 7.02 1a7nH1 TRP 252 HE1 0.06 0.02 -0.20 -0.04 10.20 10.03 1a7nH1 TRP 252 HE3 -0.03 -0.03 -0.02 -0.04 7.59 7.48 1a7nH1 TRP 252 HZ2 0.03 0.02 -0.10 -0.04 7.44 7.35 1a7nH1 TRP 252 HZ3 -0.08 -0.01 -0.04 -0.04 7.13 6.96 1a7nH1 TRP 252 HH2 -0.03 -0.00 -0.06 -0.04 7.19 7.05 1a7nH1 GLY 253 H 0.26 0.08 -0.06 -0.55 8.43 8.16 1a7nH1 GLY 253 HA2 0.11 0.39 0.37 -0.51 4.01 4.37 1a7nH1 GLY 253 HA3 0.11 0.10 0.18 -0.51 4.01 3.88 1a7nH1 ASP 254 H 0.19 -0.06 -0.39 -0.55 8.40 7.59 1a7nH1 ASP 254 HA 0.06 0.21 0.63 -0.75 4.63 4.78 1a7nH1 ASP 254 HB2 0.02 0.03 0.16 -0.04 2.71 2.88 1a7nH1 ASP 254 HB3 0.03 0.02 0.04 -0.04 2.70 2.75 1a7nH1 GLY 255 H 0.15 0.72 -0.37 -0.55 8.43 8.39 1a7nH1 GLY 255 HA2 0.10 0.02 0.28 -0.51 4.01 3.90 1a7nH1 GLY 255 HA3 0.08 0.12 0.45 -0.51 4.01 4.15 1a7nH1 ASN 256 H 0.15 -0.05 -0.33 -0.55 8.53 7.76 1a7nH1 ASN 256 HA 0.10 0.14 0.56 -0.75 4.76 4.82 1a7nH1 ASN 256 HB2 0.01 -0.11 0.02 -0.04 2.88 2.75 1a7nH1 ASN 256 HB3 0.06 0.09 0.03 -0.04 2.79 2.93 1a7nH1 ASN 256 HD21 0.01 0.02 0.01 -0.04 7.03 7.02 1a7nH1 ASN 256 HD22 0.03 0.03 0.07 -0.04 7.74 7.83 1a7nH1 THR 257 H 0.12 0.19 0.27 -0.55 8.28 8.31 1a7nH1 THR 257 HA 0.08 0.27 1.22 -0.75 4.39 5.21 1a7nH1 THR 257 HB -0.44 0.03 0.12 -0.04 4.32 3.98 1a7nH1 THR 257 HG23 0.06 0.07 -0.03 -0.04 1.22 1.27 1a7nH1 ASP 258 H -0.18 0.59 0.40 -0.55 8.40 8.67 1a7nH1 ASP 258 HA 0.10 0.17 0.83 -0.75 4.63 4.98 1a7nH1 ASP 258 HB2 0.40 -0.06 -0.02 -0.04 2.71 2.99 1a7nH1 ASP 258 HB3 0.42 0.04 -0.00 -0.04 2.70 3.11 1a7nH1 TYR 259 H 0.26 0.22 0.17 -0.55 8.29 8.38 1a7nH1 TYR 259 HA -0.14 0.19 1.12 -0.75 4.56 4.97 1a7nH1 TYR 259 HB2 0.07 -0.03 -0.02 -0.04 3.06 3.04 1a7nH1 TYR 259 HB3 0.01 0.09 0.08 -0.04 2.98 3.12 1a7nH1 TYR 259 HD2 -0.00 0.02 -0.05 -0.04 7.15 7.08 1a7nH1 TYR 259 HE2 0.01 -0.03 -0.14 -0.04 6.85 6.65 1a7nH1 ASN 260 H 0.09 0.69 0.24 -0.55 8.53 9.00 1a7nH1 ASN 260 HA 0.42 0.00 0.50 -0.75 4.76 4.92 1a7nH1 ASN 260 HB2 0.21 0.29 0.16 -0.04 2.88 3.50 1a7nH1 ASN 260 HB3 0.10 0.06 0.26 -0.04 2.79 3.17 1a7nH1 ASN 260 HD21 0.14 -0.06 0.02 -0.04 7.03 7.08 1a7nH1 ASN 260 HD22 0.20 0.63 0.16 -0.04 7.74 8.69 1a7nH1 SER 261 H 0.20 0.16 0.21 -0.55 8.46 8.48 1a7nH1 SER 261 HA 0.13 0.11 0.26 -0.75 4.49 4.24 1a7nH1 SER 261 HB2 0.09 -0.06 0.11 -0.04 3.95 4.06 1a7nH1 SER 261 HB3 0.08 0.05 0.03 -0.04 3.93 4.06 1a7nH1 ALA 262 H 0.09 0.07 -0.06 -0.55 8.40 7.96 1a7nH1 ALA 262 HA 0.04 0.10 0.47 -0.75 4.34 4.20 1a7nH1 ALA 262 HB3 0.05 0.01 0.06 -0.04 1.41 1.48 1a7nH1 LEU 263 H 0.06 0.13 -0.27 -0.55 8.37 7.75 1a7nH1 LEU 263 HA 0.00 0.20 0.77 -0.75 4.35 4.57 1a7nH1 LEU 263 HB2 0.03 0.06 0.01 -0.04 1.64 1.70 1a7nH1 LEU 263 HB3 0.01 0.02 0.05 -0.04 1.64 1.67 1a7nH1 LEU 263 HG 0.04 -0.14 -0.14 -0.04 1.64 1.36 1a7nH1 LEU 263 HD13 0.05 0.02 -0.06 -0.04 0.93 0.90 1a7nH1 LEU 263 HD23 0.02 0.03 -0.09 -0.04 0.89 0.81 1a7nH1 LYS 264 H 0.03 0.37 -0.19 -0.55 8.42 8.07 1a7nH1 LYS 264 HA -0.20 0.01 0.33 -0.75 4.32 3.70 1a7nH1 LYS 264 HB2 0.08 0.11 0.00 -0.04 1.87 2.01 1a7nH1 LYS 264 HB3 0.01 0.03 0.04 -0.04 1.79 1.82 1a7nH1 LYS 264 HG2 -0.07 0.02 -0.20 -0.04 1.46 1.17 1a7nH1 LYS 264 HG3 -0.12 -0.03 0.00 -0.04 1.46 1.27 1a7nH1 LYS 264 HD2 0.17 -0.04 -0.06 -0.04 1.69 1.72 1a7nH1 LYS 264 HD3 0.07 0.03 -0.03 -0.04 1.68 1.71 1a7nH1 LYS 264 HE2 0.10 -0.02 -0.01 -0.04 2.99 3.02 1a7nH1 LYS 264 HE3 0.05 0.02 -0.03 -0.04 2.99 2.98 1a7nH1 SER 265 H -0.04 0.13 -0.36 -0.55 8.46 7.64 1a7nH1 SER 265 HA -0.07 0.07 0.49 -0.75 4.49 4.23 1a7nH1 SER 265 HB2 -0.02 -0.01 0.06 -0.04 3.95 3.94 1a7nH1 SER 265 HB3 -0.02 0.04 -0.01 -0.04 3.93 3.90 1a7nH1 ARG 266 H -0.06 0.58 -0.10 -0.55 8.46 8.33 1a7nH1 ARG 266 HA -0.05 0.14 0.88 -0.75 4.34 4.57 1a7nH1 ARG 266 HB2 -0.01 0.04 0.08 -0.04 1.90 1.97 1a7nH1 ARG 266 HB3 -0.01 0.01 0.16 -0.04 1.80 1.93 1a7nH1 ARG 266 HG2 0.01 -0.01 -0.13 -0.04 1.67 1.50 1a7nH1 ARG 266 HG3 0.01 -0.06 -0.04 -0.04 1.67 1.54 1a7nH1 ARG 266 HD2 0.09 0.36 0.02 -0.04 3.22 3.64 1a7nH1 ARG 266 HD3 0.16 -0.07 -0.02 -0.04 3.22 3.24 1a7nH1 LEU 267 H -0.17 0.27 -0.14 -0.55 8.37 7.78 1a7nH1 LEU 267 HA -0.12 0.33 1.24 -0.75 4.35 5.05 1a7nH1 LEU 267 HB2 -0.35 -0.01 -0.04 -0.04 1.64 1.21 1a7nH1 LEU 267 HB3 -0.07 -0.05 -0.20 -0.04 1.64 1.28 1a7nH1 LEU 267 HG -0.06 0.07 -0.18 -0.04 1.64 1.43 1a7nH1 LEU 267 HD13 0.04 -0.04 -0.10 -0.04 0.93 0.79 1a7nH1 LEU 267 HD23 -0.05 0.02 -0.10 -0.04 0.89 0.71 1a7nH1 SER 268 H -0.09 0.58 0.34 -0.55 8.46 8.75 1a7nH1 SER 268 HA 0.01 0.13 0.78 -0.75 4.49 4.65 1a7nH1 SER 268 HB2 -0.06 0.08 -0.21 -0.04 3.95 3.73 1a7nH1 SER 268 HB3 -0.04 -0.05 0.02 -0.04 3.93 3.82 1a7nH1 ILE 269 H 0.34 0.24 0.17 -0.55 8.25 8.46 1a7nH1 ILE 269 HA 0.08 0.36 1.16 -0.75 4.18 5.02 1a7nH1 ILE 269 HB 0.08 -0.03 0.02 -0.04 1.89 1.92 1a7nH1 ILE 269 HG12 -0.10 0.05 -0.04 -0.04 1.49 1.36 1a7nH1 ILE 269 HG13 0.16 -0.08 -0.43 -0.04 1.21 0.82 1a7nH1 ILE 269 HG23 0.24 0.00 -0.18 -0.04 0.93 0.96 1a7nH1 ILE 269 HD13 0.02 -0.00 -0.20 -0.04 0.88 0.65 1a7nH1 SER 270 H 0.22 0.56 0.35 -0.55 8.46 9.04 1a7nH1 SER 270 HA 0.15 0.19 0.73 -0.75 4.49 4.81 1a7nH1 SER 270 HB2 0.16 -0.00 0.15 -0.04 3.95 4.22 1a7nH1 SER 270 HB3 0.13 0.07 -0.14 -0.04 3.93 3.95 1a7nH1 LYS 271 H 0.16 0.30 0.26 -0.55 8.42 8.59 1a7nH1 LYS 271 HA 0.01 0.18 0.86 -0.75 4.32 4.61 1a7nH1 LYS 271 HB2 -0.02 0.06 0.08 -0.04 1.87 1.95 1a7nH1 LYS 271 HB3 0.03 0.03 -0.08 -0.04 1.79 1.74 1a7nH1 LYS 271 HG2 0.08 -0.01 -0.04 -0.04 1.46 1.45 1a7nH1 LYS 271 HG3 0.06 -0.12 -0.24 -0.04 1.46 1.12 1a7nH1 LYS 271 HD2 0.02 -0.05 -0.11 -0.04 1.69 1.52 1a7nH1 LYS 271 HD3 0.04 0.02 -0.11 -0.04 1.68 1.59 1a7nH1 LYS 271 HE2 0.08 -0.01 -0.06 -0.04 2.99 2.95 1a7nH1 LYS 271 HE3 0.06 -0.11 -0.07 -0.04 2.99 2.82 1a7nH1 ASP 272 H -0.00 0.79 0.21 -0.55 8.40 8.84 1a7nH1 ASP 272 HA 0.10 0.13 0.80 -0.75 4.63 4.90 1a7nH1 ASP 272 HB2 0.35 0.10 -0.07 -0.04 2.71 3.04 1a7nH1 ASP 272 HB3 0.15 -0.04 0.18 -0.04 2.70 2.95 1a7nH1 ASN 273 H 0.04 0.26 0.05 -0.55 8.53 8.33 1a7nH1 ASN 273 HA -0.01 0.07 0.40 -0.75 4.76 4.46 1a7nH1 ASN 273 HB2 0.02 0.02 0.09 -0.04 2.88 2.97 1a7nH1 ASN 273 HB3 0.00 -0.02 0.06 -0.04 2.79 2.79 1a7nH1 ASN 273 HD21 0.04 0.12 -0.02 -0.04 7.03 7.14 1a7nH1 ASN 273 HD22 0.03 -0.02 0.03 -0.04 7.74 7.74 1a7nH1 SER 274 H 0.02 0.06 -0.18 -0.55 8.46 7.82 1a7nH1 SER 274 HA -0.00 0.10 0.35 -0.75 4.49 4.18 1a7nH1 SER 274 HB2 0.02 -0.03 0.10 -0.04 3.95 4.00 1a7nH1 SER 274 HB3 0.02 0.00 0.01 -0.04 3.93 3.93 1a7nH1 LYS 275 H 0.02 0.05 -0.17 -0.55 8.42 7.76 1a7nH1 LYS 275 HA -0.00 0.16 0.64 -0.75 4.32 4.36 1a7nH1 LYS 275 HB2 0.06 -0.02 0.02 -0.04 1.87 1.89 1a7nH1 LYS 275 HB3 0.04 0.04 0.08 -0.04 1.79 1.91 1a7nH1 LYS 275 HG2 0.04 -0.02 -0.08 -0.04 1.46 1.36 1a7nH1 LYS 275 HG3 0.08 -0.05 0.01 -0.04 1.46 1.46 1a7nH1 LYS 275 HD2 0.06 0.04 -0.00 -0.04 1.69 1.75 1a7nH1 LYS 275 HD3 0.04 0.01 -0.02 -0.04 1.68 1.67 1a7nH1 LYS 275 HE2 0.05 0.02 -0.03 -0.04 2.99 2.99 1a7nH1 LYS 275 HE3 0.06 -0.02 -0.03 -0.04 2.99 2.96 1a7nH1 SER 276 H -0.04 0.24 -0.33 -0.55 8.46 7.78 1a7nH1 SER 276 HA -0.13 -0.04 0.37 -0.75 4.49 3.94 1a7nH1 SER 276 HB2 -0.09 0.21 -0.16 -0.04 3.95 3.86 1a7nH1 SER 276 HB3 -0.17 0.07 0.46 -0.04 3.93 4.24 1a7nH1 GLN 277 H -0.10 0.25 0.03 -0.55 8.47 8.10 1a7nH1 GLN 277 HA -0.21 0.39 1.22 -0.75 4.36 5.00 1a7nH1 GLN 277 HB2 -0.13 -0.13 -0.04 -0.04 2.15 1.81 1a7nH1 GLN 277 HB3 -0.61 0.02 -0.11 -0.04 2.02 1.28 1a7nH1 GLN 277 HG2 -0.07 0.04 -0.08 -0.04 2.40 2.25 1a7nH1 GLN 277 HG3 -0.04 0.18 -0.52 -0.04 2.39 1.96 1a7nH1 GLN 277 HE21 0.09 -0.03 -0.06 -0.04 6.97 6.93 1a7nH1 GLN 277 HE22 0.03 0.04 -0.06 -0.04 7.69 7.65 1a7nH1 VAL 278 H -0.30 0.69 0.41 -0.55 8.24 8.49 1a7nH1 VAL 278 HA -0.22 0.15 1.04 -0.75 4.13 4.34 1a7nH1 VAL 278 HB -0.11 -0.04 0.07 -0.04 2.12 2.01 1a7nH1 VAL 278 HG13 0.23 0.02 -0.08 -0.04 0.97 1.10 1a7nH1 VAL 278 HG23 -0.11 -0.00 -0.16 -0.04 0.95 0.63 1a7nH1 PHE 279 H 0.11 0.88 0.42 -0.55 8.34 9.20 1a7nH1 PHE 279 HA 0.17 0.35 1.17 -0.75 4.62 5.55 1a7nH1 PHE 279 HB2 0.03 -0.09 -0.08 -0.04 3.15 2.97 1a7nH1 PHE 279 HB3 -0.02 0.05 -0.05 -0.04 3.06 3.00 1a7nH1 PHE 279 HD2 0.04 0.03 -0.26 -0.04 7.28 7.05 1a7nH1 PHE 279 HE2 0.03 -0.01 -0.21 -0.04 7.38 7.14 1a7nH1 PHE 279 HZ 0.02 -0.01 -0.15 -0.04 7.32 7.14 1a7nH1 LEU 280 H -0.16 0.59 0.36 -0.55 8.37 8.62 1a7nH1 LEU 280 HA -0.40 0.26 1.00 -0.75 4.35 4.45 1a7nH1 LEU 280 HB2 -2.45 -0.01 -0.08 -0.04 1.64 -0.94 1a7nH1 LEU 280 HB3 -1.60 -0.05 0.03 -0.04 1.64 -0.02 1a7nH1 LEU 280 HG -0.46 0.06 -0.47 -0.04 1.64 0.73 1a7nH1 LEU 280 HD13 -0.37 0.02 -0.10 -0.04 0.93 0.44 1a7nH1 LEU 280 HD23 -0.48 -0.02 -0.18 -0.04 0.89 0.18 1a7nH1 LYS 281 H -0.16 0.67 0.36 -0.55 8.42 8.73 1a7nH1 LYS 281 HA -0.15 0.41 1.12 -0.75 4.32 4.94 1a7nH1 LYS 281 HB2 -0.07 -0.04 0.05 -0.04 1.87 1.76 1a7nH1 LYS 281 HB3 -0.09 0.03 0.06 -0.04 1.79 1.74 1a7nH1 LYS 281 HG2 -0.07 0.03 -0.45 -0.04 1.46 0.92 1a7nH1 LYS 281 HG3 -0.03 -0.00 -0.23 -0.04 1.46 1.15 1a7nH1 LYS 281 HD2 -0.08 0.00 -0.10 -0.04 1.69 1.48 1a7nH1 LYS 281 HD3 -0.10 0.01 -0.09 -0.04 1.68 1.46 1a7nH1 LYS 281 HE2 -0.08 -0.04 -0.18 -0.04 2.99 2.65 1a7nH1 LYS 281 HE3 -0.13 -0.00 -0.12 -0.04 2.99 2.69 1a7nH1 MET 282 H -0.13 0.54 0.35 -0.55 8.47 8.68 1a7nH1 MET 282 HA -0.09 0.45 1.12 -0.75 4.52 5.25 1a7nH1 MET 282 HB2 -0.10 -0.10 -0.03 -0.04 2.15 1.88 1a7nH1 MET 282 HB3 -0.04 0.14 0.03 -0.04 2.03 2.11 1a7nH1 MET 282 HG2 -0.09 0.03 -0.18 -0.04 2.63 2.34 1a7nH1 MET 282 HG3 -0.18 -0.07 -0.24 -0.04 2.56 2.03 1a7nH1 MET 282 HE3 0.03 0.03 -0.10 -0.04 2.10 2.02 1a7nH1 ASN 283 H -0.05 0.60 0.28 -0.55 8.53 8.81 1a7nH1 ASN 283 HA -0.06 0.02 0.73 -0.75 4.76 4.70 1a7nH1 ASN 283 HB2 -0.03 0.05 -0.05 -0.04 2.88 2.81 1a7nH1 ASN 283 HB3 -0.04 -0.07 0.04 -0.04 2.79 2.69 1a7nH1 ASN 283 HD21 -0.05 -0.02 -0.11 -0.04 7.03 6.81 1a7nH1 ASN 283 HD22 -0.05 0.08 0.04 -0.04 7.74 7.77 1a7nH1 SER 284 H -0.06 0.12 0.02 -0.55 8.46 8.00 1a7nH1 SER 284 HA -0.11 0.06 0.31 -0.75 4.49 3.99 1a7nH1 SER 284 HB2 0.01 0.07 0.09 -0.04 3.95 4.08 1a7nH1 SER 284 HB3 -0.11 -0.01 0.11 -0.04 3.93 3.88 1a7nH1 LEU 285 H -0.10 0.52 -0.06 -0.55 8.37 8.19 1a7nH1 LEU 285 HA -0.03 0.08 0.41 -0.75 4.35 4.06 1a7nH1 LEU 285 HB2 -0.08 -0.12 -0.03 -0.04 1.64 1.38 1a7nH1 LEU 285 HB3 -0.04 0.02 -0.18 -0.04 1.64 1.40 1a7nH1 LEU 285 HG -0.07 0.28 -0.25 -0.04 1.64 1.55 1a7nH1 LEU 285 HD13 -0.07 -0.01 -0.40 -0.04 0.93 0.41 1a7nH1 LEU 285 HD23 -0.04 0.01 -0.22 -0.04 0.89 0.60 1a7nH1 HIS 286 H 0.09 0.23 0.20 -0.55 8.41 8.38 1a7nH1 HIS 286 HA 0.00 0.18 0.81 -0.75 4.63 4.87 1a7nH1 HIS 286 HB2 0.01 -0.02 -0.03 -0.04 3.26 3.19 1a7nH1 HIS 286 HB3 0.01 -0.06 0.09 -0.04 3.20 3.19 1a7nH1 HIS 286 HD2 0.00 -0.06 0.03 -0.04 6.97 6.90 1a7nH1 HIS 286 HE1 -0.01 0.02 0.02 -0.04 7.75 7.74 1a7nH1 THR 287 H 0.09 0.20 0.16 -0.55 8.28 8.17 1a7nH1 THR 287 HA 0.04 0.15 0.39 -0.75 4.39 4.22 1a7nH1 THR 287 HB 0.03 0.07 0.14 -0.04 4.32 4.53 1a7nH1 THR 287 HG23 0.02 0.05 0.06 -0.04 1.22 1.32 1a7nH1 ASP 288 H 0.10 0.04 -0.30 -0.55 8.40 7.69 1a7nH1 ASP 288 HA 0.05 0.18 0.46 -0.75 4.63 4.56 1a7nH1 ASP 288 HB2 0.03 0.07 0.14 -0.04 2.71 2.90 1a7nH1 ASP 288 HB3 0.03 -0.03 0.06 -0.04 2.70 2.72 1a7nH1 ASP 289 H 0.10 0.49 -0.67 -0.55 8.40 7.78 1a7nH1 ASP 289 HA 0.12 0.12 0.51 -0.75 4.63 4.62 1a7nH1 ASP 289 HB2 0.09 0.11 0.05 -0.04 2.71 2.91 1a7nH1 ASP 289 HB3 0.14 -0.01 0.03 -0.04 2.70 2.83 1a7nH1 THR 290 H 0.07 0.29 -0.26 -0.55 8.28 7.84 1a7nH1 THR 290 HA 0.10 0.10 0.46 -0.75 4.39 4.30 1a7nH1 THR 290 HB 0.04 0.00 0.20 -0.04 4.32 4.52 1a7nH1 THR 290 HG23 0.04 -0.00 0.03 -0.04 1.22 1.25 1a7nH1 ALA 291 H 0.17 0.53 0.43 -0.55 8.40 8.98 1a7nH1 ALA 291 HA 0.00 0.05 0.46 -0.75 4.34 4.10 1a7nH1 ALA 291 HB3 -0.23 0.00 -0.40 -0.04 1.41 0.74 1a7nH1 ARG 292 H -0.07 0.66 0.21 -0.55 8.46 8.71 1a7nH1 ARG 292 HA 0.00 0.14 0.77 -0.75 4.34 4.50 1a7nH1 ARG 292 HB2 -0.06 -0.02 0.00 -0.04 1.90 1.78 1a7nH1 ARG 292 HB3 -0.14 0.03 0.09 -0.04 1.80 1.74 1a7nH1 ARG 292 HG2 -0.92 -0.01 -0.28 -0.04 1.67 0.42 1a7nH1 ARG 292 HG3 -0.23 -0.08 -0.25 -0.04 1.67 1.06 1a7nH1 ARG 292 HD2 -0.05 -0.06 -0.11 -0.04 3.22 2.95 1a7nH1 ARG 292 HD3 -0.06 0.00 -0.08 -0.04 3.22 3.04 1a7nH1 TYR 293 H 0.15 0.77 0.35 -0.55 8.29 9.01 1a7nH1 TYR 293 HA 0.10 0.23 0.97 -0.75 4.56 5.11 1a7nH1 TYR 293 HB2 0.07 -0.00 0.09 -0.04 3.06 3.18 1a7nH1 TYR 293 HB3 0.22 -0.02 -0.09 -0.04 2.98 3.06 1a7nH1 TYR 293 HD2 0.00 0.04 -0.14 -0.04 7.15 7.01 1a7nH1 TYR 293 HE2 -0.02 0.04 -0.10 -0.04 6.85 6.73 1a7nH1 TYR 294 H 0.41 0.92 0.39 -0.55 8.29 9.47 1a7nH1 TYR 294 HA 0.21 0.06 1.00 -0.75 4.56 5.08 1a7nH1 TYR 294 HB2 0.32 -0.03 -0.05 -0.04 3.06 3.27 1a7nH1 TYR 294 HB3 0.34 0.06 -0.11 -0.04 2.98 3.24 1a7nH1 TYR 294 HD2 0.23 0.06 -0.30 -0.04 7.15 7.10 1a7nH1 TYR 294 HE2 0.06 0.07 -0.23 -0.04 6.85 6.70 1a7nH1 CYS 295 H -0.00 0.09 0.20 -0.55 8.50 8.24 1a7nH1 CYS 295 HA -0.88 0.40 0.90 -0.75 4.58 4.25 1a7nH1 CYS 295 HB2 -0.96 0.04 0.00 -0.04 2.97 2.01 1a7nH1 CYS 295 HB3 -2.00 0.02 -0.10 -0.04 2.97 0.85 1a7nH1 ALA 296 H -0.56 0.50 0.30 -0.55 8.40 8.10 1a7nH1 ALA 296 HA -0.52 0.23 0.93 -0.75 4.34 4.23 1a7nH1 ALA 296 HB3 -1.38 -0.00 -0.12 -0.04 1.41 -0.14 1a7nH1 ARG 297 H -0.32 0.76 0.31 -0.55 8.46 8.66 1a7nH1 ARG 297 HA -0.25 0.20 0.71 -0.75 4.34 4.24 1a7nH1 ARG 297 HB2 -0.42 0.02 0.05 -0.04 1.90 1.50 1a7nH1 ARG 297 HB3 -0.28 -0.16 0.10 -0.04 1.80 1.42 1a7nH1 ARG 297 HG2 -0.35 0.02 -0.18 -0.04 1.67 1.12 1a7nH1 ARG 297 HG3 -0.52 0.07 0.01 -0.04 1.67 1.18 1a7nH1 ARG 297 HD2 -2.19 0.01 -0.12 -0.04 3.22 0.87 1a7nH1 ARG 297 HD3 -2.20 0.00 -0.11 -0.04 3.22 0.87 1a7nH1 GLU 298 H -0.16 0.79 0.36 -0.55 8.60 9.04 1a7nH1 GLU 298 HA -0.15 0.37 1.19 -0.75 4.29 4.95 1a7nH1 GLU 298 HB2 -0.22 0.01 -0.18 -0.04 2.09 1.66 1a7nH1 GLU 298 HB3 -0.24 -0.11 0.02 -0.04 1.99 1.61 1a7nH1 GLU 298 HG2 -0.19 -0.09 -0.37 -0.04 2.34 1.66 1a7nH1 GLU 298 HG3 -0.14 0.08 -0.11 -0.04 2.34 2.12 1a7nH1 ARG 299 H -0.06 0.64 0.20 -0.55 8.46 8.68 1a7nH1 ARG 299 HA -0.03 0.02 0.67 -0.75 4.34 4.24 1a7nH1 ARG 299 HB2 0.11 0.05 0.12 -0.04 1.90 2.14 1a7nH1 ARG 299 HB3 0.21 -0.02 -0.27 -0.04 1.80 1.68 1a7nH1 ARG 299 HG2 0.03 -0.01 -0.02 -0.04 1.67 1.63 1a7nH1 ARG 299 HG3 0.03 0.03 -0.28 -0.04 1.67 1.41 1a7nH1 ARG 299 HD2 0.11 0.00 -0.05 -0.04 3.22 3.25 1a7nH1 ARG 299 HD3 0.31 0.00 -0.06 -0.04 3.22 3.43 1a7nH1 ASP 300 H -0.13 0.13 0.10 -0.55 8.40 7.95 1a7nH1 ASP 300 HA -0.43 -0.01 0.37 -0.75 4.63 3.80 1a7nH1 ASP 300 HB2 -0.05 -0.00 0.05 -0.04 2.71 2.67 1a7nH1 ASP 300 HB3 -0.01 0.07 -0.27 -0.04 2.70 2.46 1a7nH1 TYR 301 H -0.61 0.02 -0.05 -0.55 8.29 7.09 1a7nH1 TYR 301 HA -0.01 -0.08 0.28 -0.75 4.56 3.99 1a7nH1 TYR 301 HB2 0.00 0.19 -0.18 -0.04 3.06 3.03 1a7nH1 TYR 301 HB3 -0.00 -0.02 0.13 -0.04 2.98 3.04 1a7nH1 TYR 301 HD2 0.01 0.05 -0.10 -0.04 7.15 7.08 1a7nH1 TYR 301 HE2 0.04 0.01 -0.02 -0.04 6.85 6.84 1a7nH1 ARG 302 H -0.04 0.06 -0.31 -0.55 8.46 7.62 1a7nH1 ARG 302 HA 0.03 0.03 0.35 -0.75 4.34 4.00 1a7nH1 ARG 302 HB2 0.03 -0.03 -0.03 -0.04 1.90 1.83 1a7nH1 ARG 302 HB3 0.05 0.22 -0.07 -0.04 1.80 1.95 1a7nH1 ARG 302 HG2 -0.01 0.11 -0.03 -0.04 1.67 1.70 1a7nH1 ARG 302 HG3 -0.01 -0.10 -0.26 -0.04 1.67 1.26 1a7nH1 ARG 302 HD2 0.03 -0.03 -0.08 -0.04 3.22 3.10 1a7nH1 ARG 302 HD3 0.04 0.32 -0.04 -0.04 3.22 3.50 1a7nH1 LEU 303 H 0.04 0.23 -0.02 -0.55 8.37 8.07 1a7nH1 LEU 303 HA -0.21 0.42 0.69 -0.75 4.35 4.49 1a7nH1 LEU 303 HB2 0.08 0.01 0.10 -0.04 1.64 1.79 1a7nH1 LEU 303 HB3 -0.68 0.02 -0.07 -0.04 1.64 0.87 1a7nH1 LEU 303 HG -0.03 -0.05 -0.15 -0.04 1.64 1.36 1a7nH1 LEU 303 HD13 -0.17 0.00 -0.15 -0.04 0.93 0.57 1a7nH1 LEU 303 HD23 -0.19 0.01 -0.34 -0.04 0.89 0.33 1a7nH1 ASP 304 H -0.10 0.29 0.10 -0.55 8.40 8.13 1a7nH1 ASP 304 HA -0.06 0.14 0.70 -0.75 4.63 4.66 1a7nH1 ASP 304 HB2 -0.24 0.01 0.01 -0.04 2.71 2.45 1a7nH1 ASP 304 HB3 -0.07 0.02 -0.04 -0.04 2.70 2.57 1a7nH1 TYR 305 H -0.07 0.16 0.08 -0.55 8.29 7.91 1a7nH1 TYR 305 HA 0.09 0.24 0.87 -0.75 4.56 5.00 1a7nH1 TYR 305 HB2 -0.22 -0.11 0.02 -0.04 3.06 2.71 1a7nH1 TYR 305 HB3 -0.05 0.07 -0.10 -0.04 2.98 2.86 1a7nH1 TYR 305 HD2 -0.13 -0.03 -0.06 -0.04 7.15 6.90 1a7nH1 TYR 305 HE2 -0.07 0.00 -0.02 -0.04 6.85 6.72 1a7nH1 TRP 306 H 0.38 0.26 0.15 -0.55 7.97 8.21 1a7nH1 TRP 306 HA -0.03 0.15 1.15 -0.75 4.62 5.13 1a7nH1 TRP 306 HB2 -0.05 -0.01 0.05 -0.04 3.23 3.17 1a7nH1 TRP 306 HB3 -0.07 0.16 0.02 -0.04 3.23 3.30 1a7nH1 TRP 306 HD1 -0.11 -0.03 -0.45 -0.04 7.22 6.59 1a7nH1 TRP 306 HE1 -0.10 0.23 -0.11 -0.04 10.20 10.18 1a7nH1 TRP 306 HE3 -0.36 0.05 -0.13 -0.04 7.59 7.11 1a7nH1 TRP 306 HZ2 -0.07 -0.02 -0.08 -0.04 7.44 7.24 1a7nH1 TRP 306 HZ3 -0.25 -0.02 -0.18 -0.04 7.13 6.64 1a7nH1 TRP 306 HH2 -0.05 -0.05 -0.13 -0.04 7.19 6.92 1a7nH1 GLY 307 H 0.15 0.52 0.30 -0.55 8.43 8.85 1a7nH1 GLY 307 HA2 0.13 0.33 0.74 -0.51 4.01 4.71 1a7nH1 GLY 307 HA3 0.12 -0.14 0.32 -0.51 4.01 3.80 1a7nH1 GLN 308 H 0.14 0.15 0.25 -0.55 8.47 8.46 1a7nH1 GLN 308 HA 0.25 0.17 0.73 -0.75 4.36 4.75 1a7nH1 GLN 308 HB2 0.10 0.00 0.15 -0.04 2.15 2.36 1a7nH1 GLN 308 HB3 0.10 -0.00 0.14 -0.04 2.02 2.22 1a7nH1 GLN 308 HG2 0.10 0.24 -0.58 -0.04 2.40 2.12 1a7nH1 GLN 308 HG3 0.07 -0.00 0.04 -0.04 2.39 2.45 1a7nH1 GLN 308 HE21 0.05 0.07 0.13 -0.04 6.97 7.18 1a7nH1 GLN 308 HE22 0.05 0.09 0.09 -0.04 7.69 7.87 1a7nH1 GLY 309 H 0.18 -0.14 -0.15 -0.55 8.43 7.77 1a7nH1 GLY 309 HA2 -0.02 0.22 0.37 -0.51 4.01 4.06 1a7nH1 GLY 309 HA3 -0.39 0.10 0.17 -0.51 4.01 3.37 1a7nH1 THR 310 H -0.01 0.46 0.28 -0.55 8.28 8.46 1a7nH1 THR 310 HA 0.03 0.13 0.77 -0.75 4.39 4.57 1a7nH1 THR 310 HB 0.08 0.03 -0.30 -0.04 4.32 4.08 1a7nH1 THR 310 HG23 0.10 0.02 -0.15 -0.04 1.22 1.15 1a7nH1 THR 311 H 0.02 0.17 0.14 -0.55 8.28 8.06 1a7nH1 THR 311 HA 0.06 0.17 0.83 -0.75 4.39 4.70 1a7nH1 THR 311 HB 0.02 -0.03 0.07 -0.04 4.32 4.34 1a7nH1 THR 311 HG23 0.03 -0.00 -0.27 -0.04 1.22 0.94 1a7nH1 VAL 312 H 0.14 0.74 0.39 -0.55 8.24 8.96 1a7nH1 VAL 312 HA 0.01 0.29 0.94 -0.75 4.13 4.63 1a7nH1 VAL 312 HB 0.18 0.08 0.16 -0.04 2.12 2.50 1a7nH1 VAL 312 HG13 -0.06 -0.01 -0.23 -0.04 0.97 0.63 1a7nH1 VAL 312 HG23 -0.15 -0.03 -0.20 -0.04 0.95 0.53 1a7nH1 THR 313 H 0.01 0.60 0.14 -0.55 8.28 8.48 1a7nH1 THR 313 HA 0.04 0.12 0.88 -0.75 4.39 4.67 1a7nH1 THR 313 HB 0.01 -0.04 0.02 -0.04 4.32 4.27 1a7nH1 THR 313 HG23 0.02 0.01 -0.14 -0.04 1.22 1.06 1a7nH1 VAL 314 H 0.03 0.21 0.08 -0.55 8.24 8.01 1a7nH1 VAL 314 HA -0.00 0.39 0.65 -0.75 4.13 4.41 1a7nH1 VAL 314 HB 0.03 -0.00 0.08 -0.04 2.12 2.19 1a7nH1 VAL 314 HG13 -0.01 -0.02 -0.55 -0.04 0.97 0.35 1a7nH1 VAL 314 HG23 0.02 0.02 -0.30 -0.04 0.95 0.64 1a7nH1 SER 315 H -0.00 0.73 0.20 -0.55 8.46 8.84 1a7nH1 SER 315 HA 0.00 0.05 0.72 -0.75 4.49 4.51 1a7nH1 SER 315 HB2 0.01 -0.04 -0.34 -0.04 3.95 3.54 1a7nH1 SER 315 HB3 -0.00 0.00 -0.03 -0.04 3.93 3.86 1a7nH1 SER 316 H -0.00 0.17 0.04 -0.55 8.46 8.12 1a7nH1 SER 316 HA -0.01 0.15 0.44 -0.75 4.49 4.31