============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 0 rings ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1d7mB1 GLU 243 HA 0.00 0.03 0.24 -0.75 4.29 3.80 1d7mB1 GLU 243 HB2 0.00 0.05 0.05 -0.04 2.09 2.14 1d7mB1 GLU 243 HB3 0.00 0.04 0.09 -0.04 1.99 2.08 1d7mB1 GLU 243 HG2 0.00 -0.26 0.07 -0.04 2.34 2.11 1d7mB1 GLU 243 HG3 0.00 0.01 -0.22 -0.04 2.34 2.09 1d7mB1 MET 244 H 0.00 0.25 0.14 -0.55 8.47 8.31 1d7mB1 MET 244 HA 0.00 0.09 0.57 -0.75 4.52 4.42 1d7mB1 MET 244 HB2 0.00 0.03 0.12 -0.04 2.15 2.26 1d7mB1 MET 244 HB3 0.00 0.03 0.06 -0.04 2.03 2.07 1d7mB1 MET 244 HG2 0.00 -0.02 0.04 -0.04 2.63 2.61 1d7mB1 MET 244 HG3 0.00 0.05 0.04 -0.04 2.56 2.61 1d7mB1 MET 244 HE3 0.00 0.00 -0.13 -0.04 2.10 1.93 1d7mB1 ALA 245 H 0.00 0.22 -0.02 -0.55 8.40 8.05 1d7mB1 ALA 245 HA 0.00 0.10 0.46 -0.75 4.34 4.15 1d7mB1 ALA 245 HB3 0.00 0.03 0.07 -0.04 1.41 1.47 1d7mB1 ASN 246 H 0.00 0.13 -0.51 -0.55 8.53 7.60 1d7mB1 ASN 246 HA 0.00 0.05 0.44 -0.75 4.76 4.50 1d7mB1 ASN 246 HB2 0.00 0.24 0.13 -0.04 2.88 3.21 1d7mB1 ASN 246 HB3 0.00 0.00 -0.03 -0.04 2.79 2.72 1d7mB1 ASN 246 HD21 0.00 0.02 -0.00 -0.04 7.03 7.01 1d7mB1 ASN 246 HD22 0.00 -0.01 -0.00 -0.04 7.74 7.69 1d7mB1 ARG 247 H 0.00 0.53 0.08 -0.55 8.46 8.52 1d7mB1 ARG 247 HA 0.00 -0.00 0.35 -0.75 4.34 3.93 1d7mB1 ARG 247 HB2 0.00 0.04 0.16 -0.04 1.90 2.07 1d7mB1 ARG 247 HB3 0.00 -0.01 -0.00 -0.04 1.80 1.75 1d7mB1 ARG 247 HG2 0.00 -0.03 0.06 -0.04 1.67 1.67 1d7mB1 ARG 247 HG3 0.00 0.06 0.06 -0.04 1.67 1.75 1d7mB1 ARG 247 HD2 0.00 0.00 0.00 -0.04 3.22 3.18 1d7mB1 ARG 247 HD3 0.00 0.00 0.01 -0.04 3.22 3.19 1d7mB1 LEU 248 H 0.00 0.33 -0.79 -0.55 8.37 7.36 1d7mB1 LEU 248 HA 0.00 -0.01 0.42 -0.75 4.35 4.01 1d7mB1 LEU 248 HB2 0.00 0.11 0.22 -0.04 1.64 1.93 1d7mB1 LEU 248 HB3 0.00 0.03 0.11 -0.04 1.64 1.74 1d7mB1 LEU 248 HG 0.00 -0.04 0.04 -0.04 1.64 1.60 1d7mB1 LEU 248 HD13 0.00 -0.00 -0.01 -0.04 0.93 0.88 1d7mB1 LEU 248 HD23 0.00 -0.01 0.02 -0.04 0.89 0.85 1d7mB1 ALA 249 H 0.00 0.50 0.14 -0.55 8.40 8.49 1d7mB1 ALA 249 HA 0.00 -0.01 0.43 -0.75 4.34 4.01 1d7mB1 ALA 249 HB3 0.00 0.01 0.14 -0.04 1.41 1.52 1d7mB1 GLY 250 H 0.00 0.59 -0.15 -0.55 8.43 8.32 1d7mB1 GLY 250 HA2 0.00 0.02 0.45 -0.51 4.01 3.97 1d7mB1 GLY 250 HA3 0.00 0.05 0.28 -0.51 4.01 3.84 1d7mB1 LEU 251 H 0.00 0.60 -0.17 -0.55 8.37 8.25 1d7mB1 LEU 251 HA 0.00 0.02 0.55 -0.75 4.35 4.16 1d7mB1 LEU 251 HB2 0.00 0.21 0.26 -0.04 1.64 2.07 1d7mB1 LEU 251 HB3 0.00 -0.06 0.02 -0.04 1.64 1.56 1d7mB1 LEU 251 HG 0.00 -0.01 0.05 -0.04 1.64 1.64 1d7mB1 LEU 251 HD13 0.00 -0.01 -0.01 -0.04 0.93 0.87 1d7mB1 LEU 251 HD23 0.00 -0.02 0.05 -0.04 0.89 0.88 1d7mB1 GLU 252 H 0.00 0.60 -0.02 -0.55 8.60 8.64 1d7mB1 GLU 252 HA 0.00 0.01 0.46 -0.75 4.29 4.01 1d7mB1 GLU 252 HB2 0.00 0.14 0.15 -0.04 2.09 2.34 1d7mB1 GLU 252 HB3 0.00 -0.05 0.07 -0.04 1.99 1.97 1d7mB1 GLU 252 HG2 0.00 -0.06 0.05 -0.04 2.34 2.29 1d7mB1 GLU 252 HG3 0.00 0.24 0.16 -0.04 2.34 2.69 1d7mB1 ASN 253 H 0.00 0.47 -0.30 -0.55 8.53 8.16 1d7mB1 ASN 253 HA 0.00 0.00 0.40 -0.75 4.76 4.41 1d7mB1 ASN 253 HB2 0.00 0.15 0.25 -0.04 2.88 3.24 1d7mB1 ASN 253 HB3 0.00 -0.05 0.02 -0.04 2.79 2.72 1d7mB1 ASN 253 HD21 0.00 -0.04 -0.05 -0.04 7.03 6.89 1d7mB1 ASN 253 HD22 0.00 -0.03 -0.03 -0.04 7.74 7.64 1d7mB1 SER 254 H 0.00 0.56 -0.15 -0.55 8.46 8.32 1d7mB1 SER 254 HA 0.00 -0.01 0.43 -0.75 4.49 4.16 1d7mB1 SER 254 HB2 0.00 0.13 0.20 -0.04 3.95 4.24 1d7mB1 SER 254 HB3 0.00 0.11 0.17 -0.04 3.93 4.16 1d7mB1 LEU 255 H 0.00 0.51 -0.28 -0.55 8.37 8.05 1d7mB1 LEU 255 HA 0.00 0.01 0.48 -0.75 4.35 4.09 1d7mB1 LEU 255 HB2 0.00 0.19 0.26 -0.04 1.64 2.05 1d7mB1 LEU 255 HB3 0.00 -0.01 0.04 -0.04 1.64 1.63 1d7mB1 LEU 255 HG 0.00 -0.04 0.04 -0.04 1.64 1.60 1d7mB1 LEU 255 HD13 0.00 0.00 0.01 -0.04 0.93 0.90 1d7mB1 LEU 255 HD23 0.00 -0.00 -0.03 -0.04 0.89 0.82 1d7mB1 GLU 256 H 0.00 0.61 -0.08 -0.55 8.60 8.59 1d7mB1 GLU 256 HA 0.00 0.01 0.51 -0.75 4.29 4.05 1d7mB1 GLU 256 HB2 0.00 0.01 0.13 -0.04 2.09 2.20 1d7mB1 GLU 256 HB3 0.00 0.18 0.21 -0.04 1.99 2.34 1d7mB1 GLU 256 HG2 0.00 0.00 0.01 -0.04 2.34 2.31 1d7mB1 GLU 256 HG3 0.00 -0.02 -0.18 -0.04 2.34 2.10 1d7mB1 SER 257 H 0.00 0.47 -0.18 -0.55 8.46 8.20 1d7mB1 SER 257 HA 0.00 0.02 0.52 -0.75 4.49 4.28 1d7mB1 SER 257 HB2 0.00 0.03 0.11 -0.04 3.95 4.05 1d7mB1 SER 257 HB3 0.00 0.11 0.15 -0.04 3.93 4.15 1d7mB1 GLU 258 H 0.00 0.44 -0.25 -0.55 8.60 8.24 1d7mB1 GLU 258 HA 0.00 0.02 0.52 -0.75 4.29 4.08 1d7mB1 GLU 258 HB2 0.00 0.15 0.22 -0.04 2.09 2.43 1d7mB1 GLU 258 HB3 0.00 -0.07 0.05 -0.04 1.99 1.93 1d7mB1 GLU 258 HG2 0.00 0.10 0.09 -0.04 2.34 2.50 1d7mB1 GLU 258 HG3 0.00 -0.03 0.04 -0.04 2.34 2.31 1d7mB1 LYS 259 H 0.00 0.37 -0.29 -0.55 8.42 7.95 1d7mB1 LYS 259 HA 0.00 -0.00 0.43 -0.75 4.32 4.00 1d7mB1 LYS 259 HB2 0.00 0.13 0.19 -0.04 1.87 2.15 1d7mB1 LYS 259 HB3 0.00 0.15 0.24 -0.04 1.79 2.15 1d7mB1 LYS 259 HG2 0.00 -0.07 -0.06 -0.04 1.46 1.29 1d7mB1 LYS 259 HG3 0.00 -0.01 0.03 -0.04 1.46 1.44 1d7mB1 LYS 259 HD2 0.00 0.00 0.03 -0.04 1.69 1.68 1d7mB1 LYS 259 HD3 0.00 0.01 -0.01 -0.04 1.68 1.64 1d7mB1 LYS 259 HE2 0.00 -0.02 -0.02 -0.04 2.99 2.90 1d7mB1 LYS 259 HE3 0.00 -0.00 -0.00 -0.04 2.99 2.94 1d7mB1 VAL 260 H 0.00 0.59 0.01 -0.55 8.24 8.28 1d7mB1 VAL 260 HA 0.00 -0.01 0.39 -0.75 4.13 3.75 1d7mB1 VAL 260 HB 0.00 0.09 0.14 -0.04 2.12 2.31 1d7mB1 VAL 260 HG13 0.00 -0.02 -0.03 -0.04 0.97 0.88 1d7mB1 VAL 260 HG23 0.00 0.09 0.12 -0.04 0.95 1.11 1d7mB1 SER 261 H 0.00 0.49 -0.28 -0.55 8.46 8.12 1d7mB1 SER 261 HA 0.00 -0.02 0.42 -0.75 4.49 4.14 1d7mB1 SER 261 HB2 0.00 0.13 0.21 -0.04 3.95 4.25 1d7mB1 SER 261 HB3 0.00 -0.06 0.03 -0.04 3.93 3.86 1d7mB1 ARG 262 H 0.00 0.70 -0.02 -0.55 8.46 8.58 1d7mB1 ARG 262 HA 0.00 -0.05 0.43 -0.75 4.34 3.96 1d7mB1 ARG 262 HB2 0.00 0.13 0.20 -0.04 1.90 2.19 1d7mB1 ARG 262 HB3 0.00 0.12 0.24 -0.04 1.80 2.12 1d7mB1 ARG 262 HG2 0.00 -0.03 -0.09 -0.04 1.67 1.51 1d7mB1 ARG 262 HG3 0.00 -0.06 0.06 -0.04 1.67 1.64 1d7mB1 ARG 262 HD2 0.00 -0.03 -0.00 -0.04 3.22 3.15 1d7mB1 ARG 262 HD3 0.00 0.01 0.01 -0.04 3.22 3.19 1d7mB1 GLU 263 H 0.00 0.70 -0.09 -0.55 8.60 8.66 1d7mB1 GLU 263 HA 0.00 -0.03 0.43 -0.75 4.29 3.94 1d7mB1 GLU 263 HB2 0.00 0.11 0.12 -0.04 2.09 2.28 1d7mB1 GLU 263 HB3 0.00 -0.07 0.07 -0.04 1.99 1.95 1d7mB1 GLU 263 HG2 0.00 -0.06 0.02 -0.04 2.34 2.26 1d7mB1 GLU 263 HG3 0.00 0.33 0.03 -0.04 2.34 2.67 1d7mB1 GLN 264 H 0.00 0.60 -0.09 -0.55 8.47 8.43 1d7mB1 GLN 264 HA 0.00 -0.02 0.46 -0.75 4.36 4.04 1d7mB1 GLN 264 HB2 0.00 0.01 0.16 -0.04 2.15 2.28 1d7mB1 GLN 264 HB3 0.00 0.16 0.25 -0.04 2.02 2.39 1d7mB1 GLN 264 HG2 0.00 -0.06 0.06 -0.04 2.40 2.36 1d7mB1 GLN 264 HG3 0.00 -0.01 0.02 -0.04 2.39 2.35 1d7mB1 GLN 264 HE21 0.00 -0.01 -0.07 -0.04 6.97 6.85 1d7mB1 GLN 264 HE22 0.00 -0.03 -0.03 -0.04 7.69 7.59 1d7mB1 LEU 265 H 0.00 0.63 -0.00 -0.55 8.37 8.45 1d7mB1 LEU 265 HA 0.00 0.01 0.49 -0.75 4.35 4.09 1d7mB1 LEU 265 HB2 0.00 0.12 0.13 -0.04 1.64 1.85 1d7mB1 LEU 265 HB3 0.00 -0.06 0.03 -0.04 1.64 1.58 1d7mB1 LEU 265 HG 0.00 0.09 0.06 -0.04 1.64 1.74 1d7mB1 LEU 265 HD13 0.00 -0.01 -0.03 -0.04 0.93 0.85 1d7mB1 LEU 265 HD23 0.00 -0.01 0.01 -0.04 0.89 0.85 1d7mB1 ILE 266 H 0.00 0.63 -0.08 -0.55 8.25 8.24 1d7mB1 ILE 266 HA 0.00 0.01 0.52 -0.75 4.18 3.96 1d7mB1 ILE 266 HB 0.00 0.09 0.18 -0.04 1.89 2.13 1d7mB1 ILE 266 HG12 0.00 -0.06 0.05 -0.04 1.49 1.44 1d7mB1 ILE 266 HG13 0.00 0.12 0.09 -0.04 1.21 1.38 1d7mB1 ILE 266 HG23 0.00 -0.02 -0.08 -0.04 0.93 0.79 1d7mB1 ILE 266 HD13 0.00 -0.02 -0.02 -0.04 0.88 0.80 1d7mB1 LYS 267 H 0.00 0.65 -0.05 -0.55 8.42 8.47 1d7mB1 LYS 267 HA 0.00 -0.01 0.47 -0.75 4.32 4.02 1d7mB1 LYS 267 HB2 0.00 0.05 0.17 -0.04 1.87 2.04 1d7mB1 LYS 267 HB3 0.00 0.12 0.18 -0.04 1.79 2.04 1d7mB1 LYS 267 HG2 0.00 -0.02 -0.12 -0.04 1.46 1.28 1d7mB1 LYS 267 HG3 0.00 -0.05 0.08 -0.04 1.46 1.45 1d7mB1 LYS 267 HD2 0.00 -0.00 0.02 -0.04 1.69 1.67 1d7mB1 LYS 267 HD3 0.00 0.02 0.02 -0.04 1.68 1.68 1d7mB1 LYS 267 HE2 0.00 -0.01 -0.01 -0.04 2.99 2.93 1d7mB1 LYS 267 HE3 0.00 -0.02 0.01 -0.04 2.99 2.93 1d7mB1 GLN 268 H 0.00 0.56 -0.12 -0.55 8.47 8.37 1d7mB1 GLN 268 HA 0.00 -0.02 0.40 -0.75 4.36 3.99 1d7mB1 GLN 268 HB2 0.00 0.09 0.16 -0.04 2.15 2.37 1d7mB1 GLN 268 HB3 0.00 0.12 0.18 -0.04 2.02 2.27 1d7mB1 GLN 268 HG2 0.00 -0.04 -0.07 -0.04 2.40 2.25 1d7mB1 GLN 268 HG3 0.00 -0.04 0.06 -0.04 2.39 2.38 1d7mB1 GLN 268 HE21 0.00 -0.01 -0.00 -0.04 6.97 6.92 1d7mB1 GLN 268 HE22 0.00 -0.02 -0.00 -0.04 7.69 7.62 1d7mB1 LYS 269 H 0.00 0.61 -0.19 -0.55 8.42 8.28 1d7mB1 LYS 269 HA 0.00 -0.03 0.43 -0.75 4.32 3.97 1d7mB1 LYS 269 HB2 0.00 0.14 0.26 -0.04 1.87 2.22 1d7mB1 LYS 269 HB3 0.00 -0.05 0.01 -0.04 1.79 1.70 1d7mB1 LYS 269 HG2 0.00 -0.07 0.07 -0.04 1.46 1.43 1d7mB1 LYS 269 HG3 0.00 0.05 0.06 -0.04 1.46 1.53 1d7mB1 LYS 269 HD2 0.00 -0.02 0.01 -0.04 1.69 1.63 1d7mB1 LYS 269 HD3 0.00 0.02 -0.00 -0.04 1.68 1.65 1d7mB1 LYS 269 HE2 0.00 0.02 -0.00 -0.04 2.99 2.96 1d7mB1 LYS 269 HE3 0.00 -0.03 0.01 -0.04 2.99 2.92 1d7mB1 ASP 270 H 0.00 0.70 -0.01 -0.55 8.40 8.55 1d7mB1 ASP 270 HA 0.00 -0.03 0.44 -0.75 4.63 4.28 1d7mB1 ASP 270 HB2 0.00 0.16 0.23 -0.04 2.71 3.06 1d7mB1 ASP 270 HB3 0.00 -0.07 0.05 -0.04 2.70 2.64 1d7mB1 GLN 271 H 0.00 0.62 -0.13 -0.55 8.47 8.41 1d7mB1 GLN 271 HA 0.00 -0.03 0.42 -0.75 4.36 4.00 1d7mB1 GLN 271 HB2 0.00 0.14 0.15 -0.04 2.15 2.40 1d7mB1 GLN 271 HB3 0.00 -0.07 0.09 -0.04 2.02 2.00 1d7mB1 GLN 271 HG2 0.00 -0.07 0.04 -0.04 2.40 2.33 1d7mB1 GLN 271 HG3 0.00 0.31 0.14 -0.04 2.39 2.80 1d7mB1 GLN 271 HE21 0.00 -0.02 -0.02 -0.04 6.97 6.89 1d7mB1 GLN 271 HE22 0.00 -0.02 -0.00 -0.04 7.69 7.62 1d7mB1 LEU 272 H 0.00 0.53 -0.14 -0.55 8.37 8.21 1d7mB1 LEU 272 HA 0.00 0.00 0.50 -0.75 4.35 4.10 1d7mB1 LEU 272 HB2 0.00 0.10 0.20 -0.04 1.64 1.90 1d7mB1 LEU 272 HB3 0.00 -0.07 0.06 -0.04 1.64 1.59 1d7mB1 LEU 272 HG 0.00 0.26 0.06 -0.04 1.64 1.92 1d7mB1 LEU 272 HD13 0.00 -0.02 0.00 -0.04 0.93 0.87 1d7mB1 LEU 272 HD23 0.00 -0.03 -0.02 -0.04 0.89 0.81 1d7mB1 ASN 273 H 0.00 0.77 0.04 -0.55 8.53 8.79 1d7mB1 ASN 273 HA 0.00 -0.03 0.44 -0.75 4.76 4.41 1d7mB1 ASN 273 HB2 0.00 0.13 0.20 -0.04 2.88 3.18 1d7mB1 ASN 273 HB3 0.00 -0.07 0.04 -0.04 2.79 2.72 1d7mB1 ASN 273 HD21 0.00 -0.06 -0.03 -0.04 7.03 6.90 1d7mB1 ASN 273 HD22 0.00 0.01 -0.15 -0.04 7.74 7.56 1d7mB1 SER 274 H 0.00 0.61 -0.13 -0.55 8.46 8.39 1d7mB1 SER 274 HA 0.00 -0.02 0.47 -0.75 4.49 4.19 1d7mB1 SER 274 HB2 0.00 0.13 0.18 -0.04 3.95 4.22 1d7mB1 SER 274 HB3 0.00 -0.05 -0.01 -0.04 3.93 3.83 1d7mB1 LEU 275 H 0.00 0.61 -0.06 -0.55 8.37 8.37 1d7mB1 LEU 275 HA 0.00 -0.04 0.45 -0.75 4.35 4.00 1d7mB1 LEU 275 HB2 0.00 0.18 0.25 -0.04 1.64 2.03 1d7mB1 LEU 275 HB3 0.00 0.10 0.22 -0.04 1.64 1.92 1d7mB1 LEU 275 HG 0.00 -0.04 -0.04 -0.04 1.64 1.52 1d7mB1 LEU 275 HD13 0.00 -0.02 0.10 -0.04 0.93 0.97 1d7mB1 LEU 275 HD23 0.00 -0.01 0.02 -0.04 0.89 0.87 1d7mB1 LEU 276 H 0.00 0.74 -0.10 -0.55 8.37 8.47 1d7mB1 LEU 276 HA 0.00 -0.05 0.37 -0.75 4.35 3.92 1d7mB1 LEU 276 HB2 0.00 0.12 0.15 -0.04 1.64 1.86 1d7mB1 LEU 276 HB3 0.00 0.22 0.26 -0.04 1.64 2.07 1d7mB1 LEU 276 HG 0.00 -0.04 -0.10 -0.04 1.64 1.46 1d7mB1 LEU 276 HD13 0.00 -0.01 0.00 -0.04 0.93 0.88 1d7mB1 LEU 276 HD23 0.00 -0.01 0.01 -0.04 0.89 0.85 1d7mB1 ALA 277 H 0.00 0.67 0.04 -0.55 8.40 8.56 1d7mB1 ALA 277 HA 0.00 -0.03 0.43 -0.75 4.34 3.99 1d7mB1 ALA 277 HB3 0.00 0.01 0.15 -0.04 1.41 1.53 1d7mB1 SER 278 H 0.00 0.65 -0.09 -0.55 8.46 8.47 1d7mB1 SER 278 HA 0.00 -0.06 0.44 -0.75 4.49 4.12 1d7mB1 SER 278 HB2 0.00 -0.02 0.15 -0.04 3.95 4.04 1d7mB1 SER 278 HB3 0.00 0.24 0.29 -0.04 3.93 4.43 1d7mB1 LEU 279 H 0.00 0.79 0.11 -0.55 8.37 8.73 1d7mB1 LEU 279 HA 0.00 -0.06 0.43 -0.75 4.35 3.97 1d7mB1 LEU 279 HB2 0.00 0.14 0.15 -0.04 1.64 1.89 1d7mB1 LEU 279 HB3 0.00 -0.06 -0.02 -0.04 1.64 1.52 1d7mB1 LEU 279 HG 0.00 0.10 0.05 -0.04 1.64 1.75 1d7mB1 LEU 279 HD13 0.00 -0.01 -0.00 -0.04 0.93 0.87 1d7mB1 LEU 279 HD23 0.00 -0.03 0.03 -0.04 0.89 0.85 1d7mB1 GLU 280 H 0.00 0.67 -0.22 -0.55 8.60 8.51 1d7mB1 GLU 280 HA 0.00 -0.02 0.49 -0.75 4.29 4.00 1d7mB1 GLU 280 HB2 0.00 0.24 0.25 -0.04 2.09 2.54 1d7mB1 GLU 280 HB3 0.00 -0.08 -0.04 -0.04 1.99 1.83 1d7mB1 GLU 280 HG2 0.00 0.06 0.04 -0.04 2.34 2.40 1d7mB1 GLU 280 HG3 0.00 -0.05 -0.02 -0.04 2.34 2.24 1d7mB1 SER 281 H 0.00 0.68 0.07 -0.55 8.46 8.66 1d7mB1 SER 281 HA 0.00 -0.01 0.54 -0.75 4.49 4.26 1d7mB1 SER 281 HB2 0.00 0.06 0.17 -0.04 3.95 4.14 1d7mB1 SER 281 HB3 0.00 0.12 0.26 -0.04 3.93 4.27 1d7mB1 GLU 282 H 0.00 0.73 0.05 -0.55 8.60 8.83 1d7mB1 GLU 282 HA 0.00 -0.02 0.39 -0.75 4.29 3.90 1d7mB1 GLU 282 HB2 0.00 0.15 0.19 -0.04 2.09 2.38 1d7mB1 GLU 282 HB3 0.00 -0.00 -0.06 -0.04 1.99 1.89 1d7mB1 GLU 282 HG2 0.00 -0.05 0.05 -0.04 2.34 2.30 1d7mB1 GLU 282 HG3 0.00 0.00 0.04 -0.04 2.34 2.34 1d7mB1 GLY 283 H 0.00 0.66 -0.16 -0.55 8.43 8.39 1d7mB1 GLY 283 HA2 0.00 -0.04 0.46 -0.51 4.01 3.92 1d7mB1 GLY 283 HA3 0.00 0.10 0.33 -0.51 4.01 3.93 1d7mB1 ALA 284 H 0.00 0.54 -0.22 -0.55 8.40 8.18 1d7mB1 ALA 284 HA 0.00 -0.02 0.47 -0.75 4.34 4.04 1d7mB1 ALA 284 HB3 0.00 0.03 0.17 -0.04 1.41 1.58 1d7mB1 GLU 285 H 0.00 0.60 -0.01 -0.55 8.60 8.65 1d7mB1 GLU 285 HA 0.00 -0.01 0.44 -0.75 4.29 3.97 1d7mB1 GLU 285 HB2 0.00 0.14 0.22 -0.04 2.09 2.41 1d7mB1 GLU 285 HB3 0.00 -0.05 0.04 -0.04 1.99 1.95 1d7mB1 GLU 285 HG2 0.00 0.05 0.06 -0.04 2.34 2.41 1d7mB1 GLU 285 HG3 0.00 -0.02 0.04 -0.04 2.34 2.32 1d7mB1 ARG 286 H 0.00 0.65 -0.03 -0.55 8.46 8.52 1d7mB1 ARG 286 HA 0.00 -0.01 0.36 -0.75 4.34 3.94 1d7mB1 ARG 286 HB2 0.00 0.08 0.12 -0.04 1.90 2.06 1d7mB1 ARG 286 HB3 0.00 -0.06 0.05 -0.04 1.80 1.75 1d7mB1 ARG 286 HG2 0.00 0.24 0.07 -0.04 1.67 1.94 1d7mB1 ARG 286 HG3 0.00 -0.03 0.01 -0.04 1.67 1.61 1d7mB1 ARG 286 HD2 0.00 -0.05 -0.01 -0.04 3.22 3.11 1d7mB1 ARG 286 HD3 0.00 0.01 -0.00 -0.04 3.22 3.18 1d7mB1 GLU 287 H 0.00 0.71 -0.10 -0.55 8.60 8.66 1d7mB1 GLU 287 HA 0.00 -0.01 0.51 -0.75 4.29 4.04 1d7mB1 GLU 287 HB2 0.00 0.16 0.20 -0.04 2.09 2.41 1d7mB1 GLU 287 HB3 0.00 -0.07 0.04 -0.04 1.99 1.93 1d7mB1 GLU 287 HG2 0.00 0.07 0.09 -0.04 2.34 2.46 1d7mB1 GLU 287 HG3 0.00 -0.02 0.04 -0.04 2.34 2.32 1d7mB1 LYS 288 H 0.00 0.56 -0.18 -0.55 8.42 8.24 1d7mB1 LYS 288 HA 0.00 0.01 0.51 -0.75 4.32 4.09 1d7mB1 LYS 288 HB2 0.00 -0.00 0.14 -0.04 1.87 1.96 1d7mB1 LYS 288 HB3 0.00 0.21 0.27 -0.04 1.79 2.22 1d7mB1 LYS 288 HG2 0.00 -0.04 -0.28 -0.04 1.46 1.09 1d7mB1 LYS 288 HG3 0.00 -0.04 0.03 -0.04 1.46 1.41 1d7mB1 LYS 288 HD2 0.00 -0.00 0.02 -0.04 1.69 1.66 1d7mB1 LYS 288 HD3 0.00 0.04 0.03 -0.04 1.68 1.71 1d7mB1 LYS 288 HE2 0.00 -0.02 -0.04 -0.04 2.99 2.89 1d7mB1 LYS 288 HE3 0.00 -0.01 -0.01 -0.04 2.99 2.93 1d7mB1 ARG 289 H 0.00 0.63 0.02 -0.55 8.46 8.56 1d7mB1 ARG 289 HA 0.00 -0.02 0.42 -0.75 4.34 3.99 1d7mB1 ARG 289 HB2 0.00 -0.03 0.11 -0.04 1.90 1.94 1d7mB1 ARG 289 HB3 0.00 0.13 0.23 -0.04 1.80 2.12 1d7mB1 ARG 289 HG2 0.00 -0.02 -0.01 -0.04 1.67 1.60 1d7mB1 ARG 289 HG3 0.00 0.04 -0.42 -0.04 1.67 1.25 1d7mB1 ARG 289 HD2 0.00 -0.08 0.01 -0.04 3.22 3.11 1d7mB1 ARG 289 HD3 0.00 -0.00 0.05 -0.04 3.22 3.22 1d7mB1 LEU 290 H 0.00 0.62 -0.19 -0.55 8.37 8.25 1d7mB1 LEU 290 HA 0.00 -0.01 0.46 -0.75 4.35 4.05 1d7mB1 LEU 290 HB2 0.00 0.11 0.15 -0.04 1.64 1.87 1d7mB1 LEU 290 HB3 0.00 0.08 0.17 -0.04 1.64 1.85 1d7mB1 LEU 290 HG 0.00 -0.07 -0.07 -0.04 1.64 1.47 1d7mB1 LEU 290 HD13 0.00 -0.01 0.02 -0.04 0.93 0.90 1d7mB1 LEU 290 HD23 0.00 -0.00 -0.01 -0.04 0.89 0.84 1d7mB1 ARG 291 H 0.00 0.68 -0.02 -0.55 8.46 8.57 1d7mB1 ARG 291 HA 0.00 -0.04 0.45 -0.75 4.34 4.00 1d7mB1 ARG 291 HB2 0.00 0.19 0.29 -0.04 1.90 2.35 1d7mB1 ARG 291 HB3 0.00 -0.07 0.05 -0.04 1.80 1.74 1d7mB1 ARG 291 HG2 0.00 -0.07 0.10 -0.04 1.67 1.66 1d7mB1 ARG 291 HG3 0.00 0.08 0.13 -0.04 1.67 1.84 1d7mB1 ARG 291 HD2 0.00 -0.03 0.04 -0.04 3.22 3.19 1d7mB1 ARG 291 HD3 0.00 -0.04 0.03 -0.04 3.22 3.17 1d7mB1 GLU 292 H 0.00 0.56 -0.23 -0.55 8.60 8.38 1d7mB1 GLU 292 HA 0.00 -0.03 0.45 -0.75 4.29 3.96 1d7mB1 GLU 292 HB2 0.00 0.16 0.19 -0.04 2.09 2.39 1d7mB1 GLU 292 HB3 0.00 -0.07 0.04 -0.04 1.99 1.91 1d7mB1 GLU 292 HG2 0.00 -0.07 0.04 -0.04 2.34 2.28 1d7mB1 GLU 292 HG3 0.00 0.21 0.09 -0.04 2.34 2.60 1d7mB1 LEU 293 H 0.00 0.62 0.00 -0.55 8.37 8.45 1d7mB1 LEU 293 HA 0.00 -0.04 0.44 -0.75 4.35 4.00 1d7mB1 LEU 293 HB2 0.00 0.15 0.27 -0.04 1.64 2.03 1d7mB1 LEU 293 HB3 0.00 -0.04 -0.03 -0.04 1.64 1.53 1d7mB1 LEU 293 HG 0.00 -0.01 0.04 -0.04 1.64 1.62 1d7mB1 LEU 293 HD13 0.00 -0.02 0.05 -0.04 0.93 0.92 1d7mB1 LEU 293 HD23 0.00 0.02 0.03 -0.04 0.89 0.91 1d7mB1 GLU 294 H 0.00 0.66 -0.16 -0.55 8.60 8.55 1d7mB1 GLU 294 HA 0.00 -0.02 0.44 -0.75 4.29 3.96 1d7mB1 GLU 294 HB2 0.00 0.19 0.21 -0.04 2.09 2.45 1d7mB1 GLU 294 HB3 0.00 -0.06 0.01 -0.04 1.99 1.90 1d7mB1 GLU 294 HG2 0.00 -0.05 0.03 -0.04 2.34 2.28 1d7mB1 GLU 294 HG3 0.00 0.09 0.02 -0.04 2.34 2.41 1d7mB1 ALA 295 H 0.00 0.62 0.02 -0.55 8.40 8.49 1d7mB1 ALA 295 HA 0.00 -0.02 0.46 -0.75 4.34 4.02 1d7mB1 ALA 295 HB3 0.00 0.02 0.16 -0.04 1.41 1.56 1d7mB1 LYS 296 H 0.00 0.68 -0.05 -0.55 8.42 8.49 1d7mB1 LYS 296 HA 0.00 -0.07 0.39 -0.75 4.32 3.88 1d7mB1 LYS 296 HB2 0.00 0.17 0.19 -0.04 1.87 2.19 1d7mB1 LYS 296 HB3 0.00 -0.00 -0.01 -0.04 1.79 1.74 1d7mB1 LYS 296 HG2 0.00 -0.00 0.06 -0.04 1.46 1.47 1d7mB1 LYS 296 HG3 0.00 -0.00 0.02 -0.04 1.46 1.44 1d7mB1 LYS 296 HD2 0.00 -0.01 0.04 -0.04 1.69 1.68 1d7mB1 LYS 296 HD3 0.00 -0.07 0.12 -0.04 1.68 1.68 1d7mB1 LYS 296 HE2 0.00 -0.02 0.02 -0.04 2.99 2.95 1d7mB1 LYS 296 HE3 0.00 0.02 0.02 -0.04 2.99 2.98 1d7mB1 LEU 297 H 0.00 0.65 -0.10 -0.55 8.37 8.38 1d7mB1 LEU 297 HA 0.00 -0.02 0.48 -0.75 4.35 4.06 1d7mB1 LEU 297 HB2 0.00 0.06 0.14 -0.04 1.64 1.80 1d7mB1 LEU 297 HB3 0.00 0.08 0.11 -0.04 1.64 1.80 1d7mB1 LEU 297 HG 0.00 -0.04 0.00 -0.04 1.64 1.56 1d7mB1 LEU 297 HD13 0.00 -0.01 0.05 -0.04 0.93 0.92 1d7mB1 LEU 297 HD23 0.00 -0.01 -0.01 -0.04 0.89 0.84 1d7mB1 ASP 298 H 0.00 0.61 -0.13 -0.55 8.40 8.34 1d7mB1 ASP 298 HA 0.00 0.00 0.46 -0.75 4.63 4.34 1d7mB1 ASP 298 HB2 0.00 0.14 0.27 -0.04 2.71 3.08 1d7mB1 ASP 298 HB3 0.00 -0.08 0.03 -0.04 2.70 2.61 1d7mB1 GLU 299 H 0.00 0.66 0.07 -0.55 8.60 8.79 1d7mB1 GLU 299 HA 0.00 -0.01 0.39 -0.75 4.29 3.92 1d7mB1 GLU 299 HB2 0.00 0.08 0.13 -0.04 2.09 2.26 1d7mB1 GLU 299 HB3 0.00 0.02 0.13 -0.04 1.99 2.10 1d7mB1 GLU 299 HG2 0.00 -0.07 0.04 -0.04 2.34 2.27 1d7mB1 GLU 299 HG3 0.00 -0.00 0.04 -0.04 2.34 2.34 1d7mB1 THR 300 H 0.00 0.69 0.05 -0.55 8.28 8.46 1d7mB1 THR 300 HA 0.00 -0.05 0.40 -0.75 4.39 3.99 1d7mB1 THR 300 HB 0.00 0.12 0.17 -0.04 4.32 4.57 1d7mB1 THR 300 HG23 0.00 -0.02 -0.08 -0.04 1.22 1.08 1d7mB1 LEU 301 H 0.00 0.58 -0.34 -0.55 8.37 8.06 1d7mB1 LEU 301 HA 0.00 -0.07 0.38 -0.75 4.35 3.91 1d7mB1 LEU 301 HB2 0.00 0.34 0.33 -0.04 1.64 2.27 1d7mB1 LEU 301 HB3 0.00 -0.06 0.03 -0.04 1.64 1.57 1d7mB1 LEU 301 HG 0.00 -0.05 0.04 -0.04 1.64 1.59 1d7mB1 LEU 301 HD13 0.00 -0.03 0.06 -0.04 0.93 0.91 1d7mB1 LEU 301 HD23 0.00 -0.01 0.05 -0.04 0.89 0.89 1d7mB1 LYS 302 H 0.00 0.64 -0.02 -0.55 8.42 8.49 1d7mB1 LYS 302 HA 0.00 -0.04 0.47 -0.75 4.32 3.99 1d7mB1 LYS 302 HB2 0.00 -0.01 0.16 -0.04 1.87 1.99 1d7mB1 LYS 302 HB3 0.00 0.20 0.31 -0.04 1.79 2.26 1d7mB1 LYS 302 HG2 0.00 -0.02 -0.14 -0.04 1.46 1.25 1d7mB1 LYS 302 HG3 0.00 -0.07 0.02 -0.04 1.46 1.38 1d7mB1 LYS 302 HD2 0.00 -0.00 0.03 -0.04 1.69 1.68 1d7mB1 LYS 302 HD3 0.00 0.01 0.03 -0.04 1.68 1.68 1d7mB1 LYS 302 HE2 0.00 -0.01 -0.01 -0.04 2.99 2.93 1d7mB1 LYS 302 HE3 0.00 -0.02 -0.00 -0.04 2.99 2.93 1d7mB1 ASN 303 H 0.00 0.60 0.03 -0.55 8.53 8.61 1d7mB1 ASN 303 HA 0.00 -0.07 0.37 -0.75 4.76 4.31 1d7mB1 ASN 303 HB2 0.00 0.16 0.17 -0.04 2.88 3.17 1d7mB1 ASN 303 HB3 0.00 -0.06 0.02 -0.04 2.79 2.71 1d7mB1 ASN 303 HD21 0.00 -0.04 -0.06 -0.04 7.03 6.89 1d7mB1 ASN 303 HD22 0.00 -0.01 -0.04 -0.04 7.74 7.65 1d7mB1 LEU 304 H 0.00 0.75 -0.08 -0.55 8.37 8.50 1d7mB1 LEU 304 HA 0.00 -0.03 0.43 -0.75 4.35 3.99 1d7mB1 LEU 304 HB2 0.00 0.01 0.11 -0.04 1.64 1.72 1d7mB1 LEU 304 HB3 0.00 0.15 0.16 -0.04 1.64 1.91 1d7mB1 LEU 304 HG 0.00 -0.03 -0.12 -0.04 1.64 1.45 1d7mB1 LEU 304 HD13 0.00 -0.02 0.07 -0.04 0.93 0.94 1d7mB1 LEU 304 HD23 0.00 -0.01 0.00 -0.04 0.89 0.84 1d7mB1 GLU 305 H 0.00 0.64 -0.13 -0.55 8.60 8.56 1d7mB1 GLU 305 HA 0.00 -0.03 0.47 -0.75 4.29 3.97 1d7mB1 GLU 305 HB2 0.00 0.12 0.22 -0.04 2.09 2.38 1d7mB1 GLU 305 HB3 0.00 0.06 0.24 -0.04 1.99 2.25 1d7mB1 GLU 305 HG2 0.00 -0.01 0.04 -0.04 2.34 2.34 1d7mB1 GLU 305 HG3 0.00 -0.05 -0.05 -0.04 2.34 2.20 1d7mB1 LEU 306 H 0.00 0.62 0.10 -0.55 8.37 8.54 1d7mB1 LEU 306 HA 0.00 -0.03 0.45 -0.75 4.35 4.01 1d7mB1 LEU 306 HB2 0.00 0.11 0.15 -0.04 1.64 1.86 1d7mB1 LEU 306 HB3 0.00 -0.01 -0.01 -0.04 1.64 1.58 1d7mB1 LEU 306 HG 0.00 -0.03 0.05 -0.04 1.64 1.62 1d7mB1 LEU 306 HD13 0.00 0.01 0.03 -0.04 0.93 0.92 1d7mB1 LEU 306 HD23 0.00 -0.00 -0.02 -0.04 0.89 0.82 1d7mB1 GLU 307 H 0.00 0.64 -0.30 -0.55 8.60 8.39 1d7mB1 GLU 307 HA 0.00 -0.02 0.44 -0.75 4.29 3.96 1d7mB1 GLU 307 HB2 0.00 0.17 0.14 -0.04 2.09 2.36 1d7mB1 GLU 307 HB3 0.00 0.05 0.05 -0.04 1.99 2.05 1d7mB1 GLU 307 HG2 0.00 -0.01 0.02 -0.04 2.34 2.31 1d7mB1 GLU 307 HG3 0.00 -0.07 0.11 -0.04 2.34 2.33 1d7mB1 LYS 308 H 0.00 0.50 -0.09 -0.55 8.42 8.28 1d7mB1 LYS 308 HA 0.00 0.01 0.53 -0.75 4.32 4.10 1d7mB1 LYS 308 HB2 0.00 0.17 0.27 -0.04 1.87 2.27 1d7mB1 LYS 308 HB3 0.00 -0.04 0.02 -0.04 1.79 1.73 1d7mB1 LYS 308 HG2 0.00 -0.04 0.05 -0.04 1.46 1.42 1d7mB1 LYS 308 HG3 0.00 -0.04 0.09 -0.04 1.46 1.47 1d7mB1 LYS 308 HD2 0.00 0.02 0.03 -0.04 1.69 1.69 1d7mB1 LYS 308 HD3 0.00 0.04 0.01 -0.04 1.68 1.68 1d7mB1 LYS 308 HE2 0.00 -0.02 0.01 -0.04 2.99 2.94 1d7mB1 LYS 308 HE3 0.00 -0.02 0.01 -0.04 2.99 2.94 1d7mB1 LEU 309 H 0.00 0.56 -0.03 -0.55 8.37 8.36 1d7mB1 LEU 309 HA 0.00 0.00 0.44 -0.75 4.35 4.03 1d7mB1 LEU 309 HB2 0.00 0.16 0.23 -0.04 1.64 2.00 1d7mB1 LEU 309 HB3 0.00 -0.04 -0.03 -0.04 1.64 1.52 1d7mB1 LEU 309 HG 0.00 -0.03 0.03 -0.04 1.64 1.60 1d7mB1 LEU 309 HD13 0.00 -0.01 0.03 -0.04 0.93 0.91 1d7mB1 LEU 309 HD23 0.00 0.05 -0.02 -0.04 0.89 0.88 1d7mB1 ALA 310 H 0.00 0.62 -0.02 -0.55 8.40 8.46 1d7mB1 ALA 310 HA 0.00 -0.03 0.40 -0.75 4.34 3.96 1d7mB1 ALA 310 HB3 0.00 0.03 0.12 -0.04 1.41 1.52 1d7mB1 ARG 311 H 0.00 0.59 -0.26 -0.55 8.46 8.23 1d7mB1 ARG 311 HA 0.00 -0.02 0.45 -0.75 4.34 4.02 1d7mB1 ARG 311 HB2 0.00 0.00 0.15 -0.04 1.90 2.01 1d7mB1 ARG 311 HB3 0.00 0.15 0.24 -0.04 1.80 2.15 1d7mB1 ARG 311 HG2 0.00 -0.02 -0.34 -0.04 1.67 1.28 1d7mB1 ARG 311 HG3 0.00 -0.07 0.03 -0.04 1.67 1.60 1d7mB1 ARG 311 HD2 0.00 0.01 0.02 -0.04 3.22 3.21 1d7mB1 ARG 311 HD3 0.00 0.01 0.01 -0.04 3.22 3.20 1d7mB1 MET 312 H 0.00 0.66 -0.01 -0.55 8.47 8.57 1d7mB1 MET 312 HA 0.00 -0.02 0.49 -0.75 4.52 4.23 1d7mB1 MET 312 HB2 0.00 0.11 0.21 -0.04 2.15 2.42 1d7mB1 MET 312 HB3 0.00 -0.07 0.08 -0.04 2.03 1.99 1d7mB1 MET 312 HG2 0.00 -0.08 0.07 -0.04 2.63 2.58 1d7mB1 MET 312 HG3 0.00 0.43 0.13 -0.04 2.56 3.08 1d7mB1 MET 312 HE3 0.00 -0.01 -0.02 -0.04 2.10 2.02 1d7mB1 GLU 313 H 0.00 0.68 -0.08 -0.55 8.60 8.65 1d7mB1 GLU 313 HA 0.00 -0.02 0.44 -0.75 4.29 3.96 1d7mB1 GLU 313 HB2 0.00 0.02 0.10 -0.04 2.09 2.16 1d7mB1 GLU 313 HB3 0.00 0.16 0.18 -0.04 1.99 2.29 1d7mB1 GLU 313 HG2 0.00 -0.01 0.01 -0.04 2.34 2.30 1d7mB1 GLU 313 HG3 0.00 -0.00 -0.06 -0.04 2.34 2.24 1d7mB1 LEU 314 H 0.00 0.56 -0.17 -0.55 8.37 8.22 1d7mB1 LEU 314 HA 0.00 -0.03 0.47 -0.75 4.35 4.03 1d7mB1 LEU 314 HB2 0.00 0.15 0.21 -0.04 1.64 1.96 1d7mB1 LEU 314 HB3 0.00 -0.07 0.05 -0.04 1.64 1.58 1d7mB1 LEU 314 HG 0.00 0.13 0.11 -0.04 1.64 1.83 1d7mB1 LEU 314 HD13 0.00 -0.02 -0.03 -0.04 0.93 0.84 1d7mB1 LEU 314 HD23 0.00 -0.03 0.01 -0.04 0.89 0.83 1d7mB1 GLU 315 H 0.00 0.61 -0.02 -0.55 8.60 8.64 1d7mB1 GLU 315 HA 0.00 -0.01 0.42 -0.75 4.29 3.94 1d7mB1 GLU 315 HB2 0.00 0.10 0.19 -0.04 2.09 2.34 1d7mB1 GLU 315 HB3 0.00 -0.06 0.07 -0.04 1.99 1.96 1d7mB1 GLU 315 HG2 0.00 -0.06 0.06 -0.04 2.34 2.30 1d7mB1 GLU 315 HG3 0.00 0.24 0.09 -0.04 2.34 2.63 1d7mB1 ALA 316 H 0.00 0.53 -0.26 -0.55 8.40 8.12 1d7mB1 ALA 316 HA 0.00 -0.00 0.47 -0.75 4.34 4.06 1d7mB1 ALA 316 HB3 0.00 0.04 0.14 -0.04 1.41 1.55 1d7mB1 ARG 317 H 0.00 0.70 0.13 -0.55 8.46 8.74 1d7mB1 ARG 317 HA 0.00 -0.03 0.43 -0.75 4.34 3.99 1d7mB1 ARG 317 HB2 0.00 0.06 0.19 -0.04 1.90 2.12 1d7mB1 ARG 317 HB3 0.00 -0.05 0.03 -0.04 1.80 1.74 1d7mB1 ARG 317 HG2 0.00 -0.06 0.08 -0.04 1.67 1.65 1d7mB1 ARG 317 HG3 0.00 0.19 0.12 -0.04 1.67 1.94 1d7mB1 ARG 317 HD2 0.00 -0.02 -0.02 -0.04 3.22 3.14 1d7mB1 ARG 317 HD3 0.00 0.00 -0.05 -0.04 3.22 3.13 1d7mB1 LEU 318 H 0.00 0.77 -0.19 -0.55 8.37 8.40 1d7mB1 LEU 318 HA 0.00 -0.04 0.45 -0.75 4.35 4.01 1d7mB1 LEU 318 HB2 0.00 0.01 0.11 -0.04 1.64 1.72 1d7mB1 LEU 318 HB3 0.00 0.17 0.18 -0.04 1.64 1.95 1d7mB1 LEU 318 HG 0.00 -0.03 -0.19 -0.04 1.64 1.38 1d7mB1 LEU 318 HD13 0.00 -0.02 0.05 -0.04 0.93 0.91 1d7mB1 LEU 318 HD23 0.00 -0.00 -0.00 -0.04 0.89 0.84 1d7mB1 ALA 319 H 0.00 0.61 -0.02 -0.55 8.40 8.44 1d7mB1 ALA 319 HA 0.00 -0.03 0.47 -0.75 4.34 4.03 1d7mB1 ALA 319 HB3 0.00 0.02 0.16 -0.04 1.41 1.55 1d7mB1 LYS 320 H 0.00 0.61 -0.12 -0.55 8.42 8.36 1d7mB1 LYS 320 HA 0.00 -0.01 0.40 -0.75 4.32 3.96 1d7mB1 LYS 320 HB2 0.00 -0.00 0.11 -0.04 1.87 1.94 1d7mB1 LYS 320 HB3 0.00 0.15 0.21 -0.04 1.79 2.10 1d7mB1 LYS 320 HG2 0.00 -0.01 0.01 -0.04 1.46 1.42 1d7mB1 LYS 320 HG3 0.00 -0.03 -0.17 -0.04 1.46 1.23 1d7mB1 LYS 320 HD2 0.00 -0.01 0.07 -0.04 1.69 1.71 1d7mB1 LYS 320 HD3 0.00 0.00 0.02 -0.04 1.68 1.66 1d7mB1 LYS 320 HE2 0.00 -0.06 0.05 -0.04 2.99 2.93 1d7mB1 LYS 320 HE3 0.00 0.01 0.01 -0.04 2.99 2.97 1d7mB1 THR 321 H 0.00 0.63 -0.05 -0.55 8.28 8.30 1d7mB1 THR 321 HA 0.00 -0.02 0.42 -0.75 4.39 4.04 1d7mB1 THR 321 HB 0.00 0.07 0.15 -0.04 4.32 4.50 1d7mB1 THR 321 HG23 0.00 -0.03 0.01 -0.04 1.22 1.16 1d7mB1 GLU 322 H 0.00 0.74 -0.02 -0.55 8.60 8.78 1d7mB1 GLU 322 HA 0.00 -0.02 0.46 -0.75 4.29 3.97 1d7mB1 GLU 322 HB2 0.00 0.15 0.22 -0.04 2.09 2.42 1d7mB1 GLU 322 HB3 0.00 -0.07 0.03 -0.04 1.99 1.91 1d7mB1 GLU 322 HG2 0.00 0.11 0.11 -0.04 2.34 2.52 1d7mB1 GLU 322 HG3 0.00 -0.04 -0.04 -0.04 2.34 2.22 1d7mB1 LYS 323 H 0.00 0.64 -0.16 -0.55 8.42 8.35 1d7mB1 LYS 323 HA 0.00 -0.01 0.49 -0.75 4.32 4.04 1d7mB1 LYS 323 HB2 0.00 0.06 0.15 -0.04 1.87 2.04 1d7mB1 LYS 323 HB3 0.00 0.17 0.21 -0.04 1.79 2.13 1d7mB1 LYS 323 HG2 0.00 -0.00 -0.03 -0.04 1.46 1.38 1d7mB1 LYS 323 HG3 0.00 -0.09 0.04 -0.04 1.46 1.37 1d7mB1 LYS 323 HD2 0.00 -0.03 0.02 -0.04 1.69 1.64 1d7mB1 LYS 323 HD3 0.00 -0.00 0.04 -0.04 1.68 1.68 1d7mB1 LYS 323 HE2 0.00 -0.02 -0.00 -0.04 2.99 2.93 1d7mB1 LYS 323 HE3 0.00 0.05 -0.00 -0.04 2.99 3.00 1d7mB1 ASP 324 H 0.00 0.59 -0.01 -0.55 8.40 8.43 1d7mB1 ASP 324 HA 0.00 -0.01 0.43 -0.75 4.63 4.29 1d7mB1 ASP 324 HB2 0.00 0.13 0.19 -0.04 2.71 2.99 1d7mB1 ASP 324 HB3 0.00 -0.06 0.03 -0.04 2.70 2.63 1d7mB1 ARG 325 H 0.00 0.66 -0.12 -0.55 8.46 8.44 1d7mB1 ARG 325 HA 0.00 -0.01 0.46 -0.75 4.34 4.03 1d7mB1 ARG 325 HB2 0.00 0.18 0.18 -0.04 1.90 2.22 1d7mB1 ARG 325 HB3 0.00 0.09 0.13 -0.04 1.80 1.97 1d7mB1 ARG 325 HG2 0.00 -0.06 0.06 -0.04 1.67 1.63 1d7mB1 ARG 325 HG3 0.00 -0.01 0.04 -0.04 1.67 1.66 1d7mB1 ARG 325 HD2 0.00 -0.02 -0.00 -0.04 3.22 3.15 1d7mB1 ARG 325 HD3 0.00 0.01 0.01 -0.04 3.22 3.21 1d7mB1 ALA 326 H 0.00 0.59 -0.11 -0.55 8.40 8.34 1d7mB1 ALA 326 HA 0.00 -0.02 0.47 -0.75 4.34 4.03 1d7mB1 ALA 326 HB3 0.00 0.04 0.16 -0.04 1.41 1.57 1d7mB1 ILE 327 H 0.00 0.69 -0.05 -0.55 8.25 8.34 1d7mB1 ILE 327 HA 0.00 -0.02 0.43 -0.75 4.18 3.83 1d7mB1 ILE 327 HB 0.00 0.15 0.23 -0.04 1.89 2.23 1d7mB1 ILE 327 HG12 0.00 -0.06 0.06 -0.04 1.49 1.45 1d7mB1 ILE 327 HG13 0.00 0.10 0.09 -0.04 1.21 1.36 1d7mB1 ILE 327 HG23 0.00 -0.02 -0.09 -0.04 0.93 0.77 1d7mB1 ILE 327 HD13 0.00 -0.02 -0.05 -0.04 0.88 0.76 1d7mB1 LEU 328 H 0.00 0.62 -0.16 -0.55 8.37 8.28 1d7mB1 LEU 328 HA 0.00 -0.01 0.48 -0.75 4.35 4.07 1d7mB1 LEU 328 HB2 0.00 0.15 0.17 -0.04 1.64 1.92 1d7mB1 LEU 328 HB3 0.00 -0.07 0.02 -0.04 1.64 1.55 1d7mB1 LEU 328 HG 0.00 0.20 0.07 -0.04 1.64 1.87 1d7mB1 LEU 328 HD13 0.00 -0.02 -0.02 -0.04 0.93 0.85 1d7mB1 LEU 328 HD23 0.00 -0.02 0.01 -0.04 0.89 0.83 1d7mB1 GLU 329 H 0.00 0.54 -0.09 -0.55 8.60 8.51 1d7mB1 GLU 329 HA 0.00 -0.00 0.48 -0.75 4.29 4.01 1d7mB1 GLU 329 HB2 0.00 0.11 0.18 -0.04 2.09 2.34 1d7mB1 GLU 329 HB3 0.00 -0.07 0.09 -0.04 1.99 1.97 1d7mB1 GLU 329 HG2 0.00 -0.07 0.07 -0.04 2.34 2.30 1d7mB1 GLU 329 HG3 0.00 0.38 0.13 -0.04 2.34 2.82 1d7mB1 LEU 330 H 0.00 0.56 -0.14 -0.55 8.37 8.24 1d7mB1 LEU 330 HA 0.00 -0.01 0.42 -0.75 4.35 4.00 1d7mB1 LEU 330 HB2 0.00 0.15 0.21 -0.04 1.64 1.97 1d7mB1 LEU 330 HB3 0.00 -0.02 0.02 -0.04 1.64 1.60 1d7mB1 LEU 330 HG 0.00 -0.03 0.03 -0.04 1.64 1.60 1d7mB1 LEU 330 HD13 0.00 -0.02 0.01 -0.04 0.93 0.88 1d7mB1 LEU 330 HD23 0.00 0.02 -0.01 -0.04 0.89 0.86 1d7mB1 LYS 331 H 0.00 0.66 0.02 -0.55 8.42 8.54 1d7mB1 LYS 331 HA 0.00 -0.02 0.38 -0.75 4.32 3.93 1d7mB1 LYS 331 HB2 0.00 0.06 0.19 -0.04 1.87 2.09 1d7mB1 LYS 331 HB3 0.00 -0.05 0.03 -0.04 1.79 1.74 1d7mB1 LYS 331 HG2 0.00 -0.06 0.06 -0.04 1.46 1.42 1d7mB1 LYS 331 HG3 0.00 0.17 0.12 -0.04 1.46 1.70 1d7mB1 LYS 331 HD2 0.00 0.00 -0.06 -0.04 1.69 1.59 1d7mB1 LYS 331 HD3 0.00 -0.03 0.00 -0.04 1.68 1.62 1d7mB1 LYS 331 HE2 0.00 -0.02 0.00 -0.04 2.99 2.93 1d7mB1 LYS 331 HE3 0.00 0.00 0.00 -0.04 2.99 2.95 1d7mB1 LEU 332 H 0.00 0.69 -0.24 -0.55 8.37 8.27 1d7mB1 LEU 332 HA 0.00 -0.03 0.39 -0.75 4.35 3.95 1d7mB1 LEU 332 HB2 0.00 0.08 0.17 -0.04 1.64 1.85 1d7mB1 LEU 332 HB3 0.00 0.14 0.27 -0.04 1.64 2.01 1d7mB1 LEU 332 HG 0.00 -0.03 -0.10 -0.04 1.64 1.47 1d7mB1 LEU 332 HD13 0.00 -0.02 0.04 -0.04 0.93 0.90 1d7mB1 LEU 332 HD23 0.00 -0.01 0.02 -0.04 0.89 0.86 1d7mB1 ALA 333 H 0.00 0.66 0.07 -0.55 8.40 8.58 1d7mB1 ALA 333 HA 0.00 -0.06 0.38 -0.75 4.34 3.90 1d7mB1 ALA 333 HB3 0.00 0.03 0.14 -0.04 1.41 1.54 1d7mB1 GLU 334 H 0.00 0.66 -0.11 -0.55 8.60 8.60 1d7mB1 GLU 334 HA 0.00 -0.05 0.40 -0.75 4.29 3.88 1d7mB1 GLU 334 HB2 0.00 0.22 0.19 -0.04 2.09 2.46 1d7mB1 GLU 334 HB3 0.00 -0.08 0.07 -0.04 1.99 1.93 1d7mB1 GLU 334 HG2 0.00 -0.08 0.05 -0.04 2.34 2.27 1d7mB1 GLU 334 HG3 0.00 0.37 0.05 -0.04 2.34 2.72 1d7mB1 ALA 335 H 0.00 0.69 -0.10 -0.55 8.40 8.44 1d7mB1 ALA 335 HA 0.00 -0.03 0.57 -0.75 4.34 4.13 1d7mB1 ALA 335 HB3 0.00 0.01 0.14 -0.04 1.41 1.52 1d7mB1 ILE 336 H 0.00 0.64 0.11 -0.55 8.25 8.46 1d7mB1 ILE 336 HA 0.00 0.01 0.46 -0.75 4.18 3.89 1d7mB1 ILE 336 HB 0.00 -0.04 0.11 -0.04 1.89 1.92 1d7mB1 ILE 336 HG12 0.00 -0.05 -0.00 -0.04 1.49 1.40 1d7mB1 ILE 336 HG13 0.00 0.17 -0.17 -0.04 1.21 1.17 1d7mB1 ILE 336 HG23 0.00 0.05 -0.06 -0.04 0.93 0.88 1d7mB1 ILE 336 HD13 0.00 -0.03 -0.08 -0.04 0.88 0.73 1d7mB1 ASP 337 H 0.00 0.54 -0.40 -0.55 8.40 8.00 1d7mB1 ASP 337 HA 0.00 0.07 0.67 -0.75 4.63 4.62 1d7mB1 ASP 337 HB2 0.00 -0.01 0.04 -0.04 2.71 2.70 1d7mB1 ASP 337 HB3 0.00 0.14 0.12 -0.04 2.70 2.92 1d7mB1 GLU 338 H 0.00 0.64 0.16 -0.55 8.60 8.86 1d7mB1 GLU 338 HA 0.00 -0.00 0.45 -0.75 4.29 3.98 1d7mB1 GLU 338 HB2 0.00 0.06 0.20 -0.04 2.09 2.31 1d7mB1 GLU 338 HB3 0.00 -0.04 0.08 -0.04 1.99 1.99 1d7mB1 GLU 338 HG2 0.00 -0.06 0.08 -0.04 2.34 2.31 1d7mB1 GLU 338 HG3 0.00 0.11 0.18 -0.04 2.34 2.60 1d7mB1 LYS 339 H 0.00 0.46 -0.45 -0.55 8.42 7.88 1d7mB1 LYS 339 HA 0.00 0.02 0.37 -0.75 4.32 3.96 1d7mB1 LYS 339 HB2 0.00 0.21 0.17 -0.04 1.87 2.21 1d7mB1 LYS 339 HB3 0.00 0.02 -0.00 -0.04 1.79 1.77 1d7mB1 LYS 339 HG2 0.00 -0.03 0.02 -0.04 1.46 1.42 1d7mB1 LYS 339 HG3 0.00 -0.00 0.01 -0.04 1.46 1.43 1d7mB1 LYS 339 HD2 0.00 -0.04 -0.02 -0.04 1.69 1.60 1d7mB1 LYS 339 HD3 0.00 -0.02 -0.00 -0.04 1.68 1.62 1d7mB1 LYS 339 HE2 0.00 0.05 -0.10 -0.04 2.99 2.90 1d7mB1 LYS 339 HE3 0.00 -0.00 -0.10 -0.04 2.99 2.84 1d7mB1 SER 340 H 0.00 0.51 -0.01 -0.55 8.46 8.41 1d7mB1 SER 340 HA 0.00 -0.03 0.42 -0.75 4.49 4.13 1d7mB1 SER 340 HB2 0.00 0.04 0.21 -0.04 3.95 4.17 1d7mB1 SER 340 HB3 0.00 0.09 0.32 -0.04 3.93 4.29 1d7mB1 LYS 341 H 0.00 0.71 -0.14 -0.55 8.42 8.43 1d7mB1 LYS 341 HA 0.00 -0.01 0.43 -0.75 4.32 3.98 1d7mB1 LYS 341 HB2 0.00 0.12 0.08 -0.04 1.87 2.03 1d7mB1 LYS 341 HB3 0.00 -0.06 0.04 -0.04 1.79 1.73 1d7mB1 LYS 341 HG2 0.00 -0.06 0.01 -0.04 1.46 1.37 1d7mB1 LYS 341 HG3 0.00 0.14 0.02 -0.04 1.46 1.58 1d7mB1 LYS 341 HD2 0.00 -0.03 -0.00 -0.04 1.69 1.62 1d7mB1 LYS 341 HD3 0.00 -0.05 -0.03 -0.04 1.68 1.56 1d7mB1 LYS 341 HE2 0.00 0.04 -0.01 -0.04 2.99 2.98 1d7mB1 LYS 341 HE3 0.00 -0.05 -0.03 -0.04 2.99 2.87 1d7mB1 LEU 342 H 0.00 0.40 -0.31 -0.55 8.37 7.91 1d7mB1 LEU 342 HA 0.00 -0.02 0.50 -0.75 4.35 4.08 1d7mB1 LEU 342 HB2 0.00 0.14 0.20 -0.04 1.64 1.94 1d7mB1 LEU 342 HB3 0.00 -0.09 0.09 -0.04 1.64 1.60 1d7mB1 LEU 342 HG 0.00 0.07 0.01 -0.04 1.64 1.69 1d7mB1 LEU 342 HD13 0.00 -0.04 0.02 -0.04 0.93 0.87 1d7mB1 LEU 342 HD23 0.00 -0.04 -0.02 -0.04 0.89 0.79 1d7mB1 GLU 343 H 0.00 0.41 -0.56 -0.55 8.60 7.90 1d7mB1 GLU 343 HA 0.00 -0.02 0.22 -0.75 4.29 3.74 1d7mB1 GLU 343 HB2 0.00 0.59 0.23 -0.04 2.09 2.86 1d7mB1 GLU 343 HB3 0.00 -0.09 0.08 -0.04 1.99 1.94 1d7mB1 GLU 343 HG2 0.00 -0.06 0.05 -0.04 2.34 2.29 1d7mB1 GLU 343 HG3 0.00 -0.07 0.04 -0.04 2.34 2.28