============================================================================= 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 ============================================================================= 1a02J1 ARG 267 HA 0.00 -0.03 0.25 -0.75 4.34 3.80 1a02J1 ARG 267 HB2 0.00 0.10 0.08 -0.04 1.90 2.04 1a02J1 ARG 267 HB3 0.00 -0.04 0.14 -0.04 1.80 1.86 1a02J1 ARG 267 HG2 0.00 0.08 0.00 -0.04 1.67 1.72 1a02J1 ARG 267 HG3 0.00 -0.27 -0.10 -0.04 1.67 1.26 1a02J1 ARG 267 HD2 0.00 -0.05 0.04 -0.04 3.22 3.17 1a02J1 ARG 267 HD3 0.00 0.06 0.05 -0.04 3.22 3.29 1a02J1 LYS 268 H 0.00 0.19 0.13 -0.55 8.42 8.19 1a02J1 LYS 268 HA 0.00 0.10 0.45 -0.75 4.32 4.12 1a02J1 LYS 268 HB2 0.00 -0.01 0.16 -0.04 1.87 1.98 1a02J1 LYS 268 HB3 0.00 0.03 0.02 -0.04 1.79 1.80 1a02J1 LYS 268 HG2 0.00 0.03 0.08 -0.04 1.46 1.53 1a02J1 LYS 268 HG3 0.00 0.05 0.05 -0.04 1.46 1.51 1a02J1 LYS 268 HD2 0.00 -0.01 0.04 -0.04 1.69 1.68 1a02J1 LYS 268 HD3 0.00 -0.01 0.02 -0.04 1.68 1.65 1a02J1 LYS 268 HE2 0.00 0.02 0.00 -0.04 2.99 2.96 1a02J1 LYS 268 HE3 0.00 0.03 0.00 -0.04 2.99 2.98 1a02J1 ARG 269 H 0.00 0.14 -0.09 -0.55 8.46 7.95 1a02J1 ARG 269 HA 0.00 0.09 0.39 -0.75 4.34 4.06 1a02J1 ARG 269 HB2 0.00 -0.00 0.04 -0.04 1.90 1.90 1a02J1 ARG 269 HB3 0.00 0.06 0.03 -0.04 1.80 1.84 1a02J1 ARG 269 HG2 0.00 0.04 0.04 -0.04 1.67 1.71 1a02J1 ARG 269 HG3 0.00 -0.06 0.06 -0.04 1.67 1.63 1a02J1 ARG 269 HD2 0.00 -0.00 0.02 -0.04 3.22 3.20 1a02J1 ARG 269 HD3 0.00 0.03 0.01 -0.04 3.22 3.22 1a02J1 MET 270 H 0.00 0.20 -0.50 -0.55 8.47 7.63 1a02J1 MET 270 HA 0.00 0.08 0.57 -0.75 4.52 4.41 1a02J1 MET 270 HB2 0.00 -0.07 0.08 -0.04 2.15 2.12 1a02J1 MET 270 HB3 0.00 0.15 0.05 -0.04 2.03 2.19 1a02J1 MET 270 HG2 0.00 -0.03 0.06 -0.04 2.63 2.63 1a02J1 MET 270 HG3 0.00 0.01 0.02 -0.04 2.56 2.55 1a02J1 MET 270 HE3 0.00 0.02 -0.02 -0.04 2.10 2.05 1a02J1 ARG 271 H 0.00 0.42 0.01 -0.55 8.46 8.34 1a02J1 ARG 271 HA 0.00 0.06 0.46 -0.75 4.34 4.10 1a02J1 ARG 271 HB2 0.00 0.08 0.08 -0.04 1.90 2.02 1a02J1 ARG 271 HB3 0.00 0.05 0.15 -0.04 1.80 1.95 1a02J1 ARG 271 HG2 0.00 -0.03 -0.10 -0.04 1.67 1.50 1a02J1 ARG 271 HG3 0.00 -0.02 0.08 -0.04 1.67 1.69 1a02J1 ARG 271 HD2 0.00 0.03 -0.01 -0.04 3.22 3.20 1a02J1 ARG 271 HD3 0.00 -0.01 -0.01 -0.04 3.22 3.15 1a02J1 ASN 272 H 0.00 0.49 -0.14 -0.55 8.53 8.33 1a02J1 ASN 272 HA 0.00 0.06 0.57 -0.75 4.76 4.64 1a02J1 ASN 272 HB2 0.00 0.13 0.12 -0.04 2.88 3.09 1a02J1 ASN 272 HB3 0.00 0.06 0.00 -0.04 2.79 2.81 1a02J1 ASN 272 HD21 0.00 0.01 0.01 -0.04 7.03 7.01 1a02J1 ASN 272 HD22 0.00 0.00 -0.00 -0.04 7.74 7.70 1a02J1 ARG 273 H 0.00 0.28 -0.31 -0.55 8.46 7.88 1a02J1 ARG 273 HA 0.00 0.03 0.39 -0.75 4.34 4.00 1a02J1 ARG 273 HB2 0.00 0.11 0.21 -0.04 1.90 2.18 1a02J1 ARG 273 HB3 0.00 0.23 0.24 -0.04 1.80 2.23 1a02J1 ARG 273 HG2 0.00 -0.02 -0.19 -0.04 1.67 1.42 1a02J1 ARG 273 HG3 0.00 -0.03 0.04 -0.04 1.67 1.64 1a02J1 ARG 273 HD2 0.00 -0.01 0.03 -0.04 3.22 3.20 1a02J1 ARG 273 HD3 0.00 0.03 0.04 -0.04 3.22 3.25 1a02J1 ILE 274 H 0.00 0.37 -0.27 -0.55 8.25 7.81 1a02J1 ILE 274 HA 0.00 0.05 0.44 -0.75 4.18 3.91 1a02J1 ILE 274 HB 0.00 0.13 0.08 -0.04 1.89 2.06 1a02J1 ILE 274 HG12 0.00 -0.05 0.03 -0.04 1.49 1.43 1a02J1 ILE 274 HG13 0.00 0.33 0.16 -0.04 1.21 1.66 1a02J1 ILE 274 HG23 0.00 -0.01 -0.04 -0.04 0.93 0.83 1a02J1 ILE 274 HD13 0.00 -0.01 0.00 -0.04 0.88 0.83 1a02J1 ALA 275 H 0.00 0.35 -0.24 -0.55 8.40 7.96 1a02J1 ALA 275 HA 0.00 0.03 0.45 -0.75 4.34 4.06 1a02J1 ALA 275 HB3 0.00 0.05 0.17 -0.04 1.41 1.60 1a02J1 ALA 276 H 0.00 0.62 -0.16 -0.55 8.40 8.32 1a02J1 ALA 276 HA 0.00 0.00 0.40 -0.75 4.34 3.99 1a02J1 ALA 276 HB3 0.00 0.03 0.09 -0.04 1.41 1.48 1a02J1 SER 277 H 0.00 0.40 -0.23 -0.55 8.46 8.08 1a02J1 SER 277 HA 0.00 0.01 0.46 -0.75 4.49 4.21 1a02J1 SER 277 HB2 0.00 0.01 0.14 -0.04 3.95 4.06 1a02J1 SER 277 HB3 0.00 0.06 0.30 -0.04 3.93 4.25 1a02J1 LYS 278 H 0.00 0.66 -0.15 -0.55 8.42 8.37 1a02J1 LYS 278 HA 0.00 -0.00 0.47 -0.75 4.32 4.04 1a02J1 LYS 278 HB2 0.00 -0.01 0.11 -0.04 1.87 1.93 1a02J1 LYS 278 HB3 0.00 0.18 0.23 -0.04 1.79 2.16 1a02J1 LYS 278 HG2 0.00 -0.01 -0.25 -0.04 1.46 1.15 1a02J1 LYS 278 HG3 0.00 -0.05 0.02 -0.04 1.46 1.39 1a02J1 LYS 278 HD2 0.00 0.02 0.01 -0.04 1.69 1.68 1a02J1 LYS 278 HD3 0.00 -0.03 -0.02 -0.04 1.68 1.59 1a02J1 LYS 278 HE2 0.00 -0.02 -0.00 -0.04 2.99 2.92 1a02J1 LYS 278 HE3 0.00 0.04 -0.01 -0.04 2.99 2.98 1a02J1 SER 279 H 0.00 0.60 -0.01 -0.55 8.46 8.50 1a02J1 SER 279 HA 0.00 0.01 0.41 -0.75 4.49 4.16 1a02J1 SER 279 HB2 0.00 0.17 0.15 -0.04 3.95 4.22 1a02J1 SER 279 HB3 0.00 0.05 0.10 -0.04 3.93 4.04 1a02J1 ARG 280 H 0.00 0.49 -0.31 -0.55 8.46 8.09 1a02J1 ARG 280 HA 0.00 0.03 0.51 -0.75 4.34 4.13 1a02J1 ARG 280 HB2 0.00 0.21 0.21 -0.04 1.90 2.28 1a02J1 ARG 280 HB3 0.00 -0.03 0.01 -0.04 1.80 1.74 1a02J1 ARG 280 HG2 0.00 -0.03 0.03 -0.04 1.67 1.63 1a02J1 ARG 280 HG3 0.00 -0.04 0.03 -0.04 1.67 1.62 1a02J1 ARG 280 HD2 0.00 -0.05 -0.00 -0.04 3.22 3.13 1a02J1 ARG 280 HD3 0.00 0.10 0.03 -0.04 3.22 3.31 1a02J1 LYS 281 H 0.00 0.51 -0.01 -0.55 8.42 8.37 1a02J1 LYS 281 HA 0.00 -0.01 0.42 -0.75 4.32 3.97 1a02J1 LYS 281 HB2 0.00 0.06 0.19 -0.04 1.87 2.08 1a02J1 LYS 281 HB3 0.00 0.13 0.25 -0.04 1.79 2.12 1a02J1 LYS 281 HG2 0.00 -0.03 -0.10 -0.04 1.46 1.28 1a02J1 LYS 281 HG3 0.00 -0.05 0.08 -0.04 1.46 1.45 1a02J1 LYS 281 HD2 0.00 0.00 0.02 -0.04 1.69 1.67 1a02J1 LYS 281 HD3 0.00 0.02 0.02 -0.04 1.68 1.68 1a02J1 LYS 281 HE2 0.00 -0.01 -0.01 -0.04 2.99 2.92 1a02J1 LYS 281 HE3 0.00 -0.02 0.01 -0.04 2.99 2.94 1a02J1 ARG 282 H 0.00 0.52 -0.39 -0.55 8.46 8.03 1a02J1 ARG 282 HA 0.00 -0.03 0.33 -0.75 4.34 3.88 1a02J1 ARG 282 HB2 0.00 0.21 0.17 -0.04 1.90 2.24 1a02J1 ARG 282 HB3 0.00 -0.06 -0.00 -0.04 1.80 1.69 1a02J1 ARG 282 HG2 0.00 -0.08 0.03 -0.04 1.67 1.57 1a02J1 ARG 282 HG3 0.00 0.12 -0.06 -0.04 1.67 1.69 1a02J1 ARG 282 HD2 0.00 -0.01 -0.00 -0.04 3.22 3.16 1a02J1 ARG 282 HD3 0.00 -0.04 -0.00 -0.04 3.22 3.14 1a02J1 LYS 283 H 0.00 0.42 -0.16 -0.55 8.42 8.13 1a02J1 LYS 283 HA 0.00 0.01 0.43 -0.75 4.32 4.01 1a02J1 LYS 283 HB2 0.00 0.19 0.21 -0.04 1.87 2.22 1a02J1 LYS 283 HB3 0.00 -0.05 0.05 -0.04 1.79 1.74 1a02J1 LYS 283 HG2 0.00 -0.05 0.07 -0.04 1.46 1.44 1a02J1 LYS 283 HG3 0.00 0.15 0.12 -0.04 1.46 1.68 1a02J1 LYS 283 HD2 0.00 0.01 0.04 -0.04 1.69 1.69 1a02J1 LYS 283 HD3 0.00 -0.03 0.03 -0.04 1.68 1.64 1a02J1 LYS 283 HE2 0.00 -0.02 0.02 -0.04 2.99 2.95 1a02J1 LYS 283 HE3 0.00 0.01 0.01 -0.04 2.99 2.97 1a02J1 LEU 284 H 0.00 0.38 -0.34 -0.55 8.37 7.87 1a02J1 LEU 284 HA 0.00 0.03 0.49 -0.75 4.35 4.12 1a02J1 LEU 284 HB2 0.00 0.20 0.25 -0.04 1.64 2.05 1a02J1 LEU 284 HB3 0.00 -0.03 0.04 -0.04 1.64 1.60 1a02J1 LEU 284 HG 0.00 -0.04 0.04 -0.04 1.64 1.60 1a02J1 LEU 284 HD13 0.00 0.02 -0.02 -0.04 0.93 0.89 1a02J1 LEU 284 HD23 0.00 -0.01 0.02 -0.04 0.89 0.86 1a02J1 GLU 285 H 0.00 0.54 0.10 -0.55 8.60 8.69 1a02J1 GLU 285 HA 0.00 -0.01 0.38 -0.75 4.29 3.90 1a02J1 GLU 285 HB2 0.00 0.03 0.14 -0.04 2.09 2.22 1a02J1 GLU 285 HB3 0.00 0.10 0.15 -0.04 1.99 2.20 1a02J1 GLU 285 HG2 0.00 0.02 -0.01 -0.04 2.34 2.31 1a02J1 GLU 285 HG3 0.00 -0.07 -0.02 -0.04 2.34 2.21 1a02J1 ARG 286 H 0.00 0.52 -0.34 -0.55 8.46 8.08 1a02J1 ARG 286 HA 0.00 -0.01 0.41 -0.75 4.34 3.99 1a02J1 ARG 286 HB2 0.00 -0.02 0.09 -0.04 1.90 1.93 1a02J1 ARG 286 HB3 0.00 0.15 0.17 -0.04 1.80 2.07 1a02J1 ARG 286 HG2 0.00 0.04 -0.16 -0.04 1.67 1.50 1a02J1 ARG 286 HG3 0.00 -0.08 -0.07 -0.04 1.67 1.47 1a02J1 ARG 286 HD2 0.00 0.01 -0.00 -0.04 3.22 3.18 1a02J1 ARG 286 HD3 0.00 0.00 -0.01 -0.04 3.22 3.17 1a02J1 ILE 287 H 0.00 0.52 -0.05 -0.55 8.25 8.17 1a02J1 ILE 287 HA 0.00 0.00 0.44 -0.75 4.18 3.87 1a02J1 ILE 287 HB 0.00 0.15 0.24 -0.04 1.89 2.23 1a02J1 ILE 287 HG12 0.00 -0.06 0.08 -0.04 1.49 1.47 1a02J1 ILE 287 HG13 0.00 0.09 0.13 -0.04 1.21 1.39 1a02J1 ILE 287 HG23 0.00 -0.02 -0.12 -0.04 0.93 0.75 1a02J1 ILE 287 HD13 0.00 -0.01 0.03 -0.04 0.88 0.85 1a02J1 ALA 288 H 0.00 0.55 -0.22 -0.55 8.40 8.19 1a02J1 ALA 288 HA 0.00 0.01 0.49 -0.75 4.34 4.09 1a02J1 ALA 288 HB3 0.00 0.02 0.11 -0.04 1.41 1.51 1a02J1 ARG 289 H 0.00 0.78 0.08 -0.55 8.46 8.77 1a02J1 ARG 289 HA 0.00 -0.03 0.40 -0.75 4.34 3.96 1a02J1 ARG 289 HB2 0.00 0.11 0.19 -0.04 1.90 2.15 1a02J1 ARG 289 HB3 0.00 -0.06 0.05 -0.04 1.80 1.76 1a02J1 ARG 289 HG2 0.00 -0.07 0.06 -0.04 1.67 1.63 1a02J1 ARG 289 HG3 0.00 0.21 0.10 -0.04 1.67 1.94 1a02J1 ARG 289 HD2 0.00 0.00 -0.04 -0.04 3.22 3.14 1a02J1 ARG 289 HD3 0.00 -0.02 0.01 -0.04 3.22 3.16 1a02J1 LEU 290 H 0.00 0.55 -0.28 -0.55 8.37 8.09 1a02J1 LEU 290 HA 0.00 0.01 0.48 -0.75 4.35 4.08 1a02J1 LEU 290 HB2 0.00 0.18 0.14 -0.04 1.64 1.92 1a02J1 LEU 290 HB3 0.00 -0.06 0.02 -0.04 1.64 1.56 1a02J1 LEU 290 HG 0.00 0.07 0.05 -0.04 1.64 1.72 1a02J1 LEU 290 HD13 0.00 -0.01 -0.03 -0.04 0.93 0.85 1a02J1 LEU 290 HD23 0.00 -0.02 0.03 -0.04 0.89 0.86 1a02J1 GLU 291 H 0.00 0.45 -0.20 -0.55 8.60 8.30 1a02J1 GLU 291 HA 0.00 0.04 0.63 -0.75 4.29 4.21 1a02J1 GLU 291 HB2 0.00 0.17 0.29 -0.04 2.09 2.51 1a02J1 GLU 291 HB3 0.00 -0.06 0.04 -0.04 1.99 1.93 1a02J1 GLU 291 HG2 0.00 -0.06 0.07 -0.04 2.34 2.31 1a02J1 GLU 291 HG3 0.00 0.11 0.10 -0.04 2.34 2.51 1a02J1 GLU 292 H 0.00 0.58 0.07 -0.55 8.60 8.71 1a02J1 GLU 292 HA 0.00 0.00 0.42 -0.75 4.29 3.96 1a02J1 GLU 292 HB2 0.00 0.13 0.13 -0.04 2.09 2.30 1a02J1 GLU 292 HB3 0.00 -0.04 0.09 -0.04 1.99 2.00 1a02J1 GLU 292 HG2 0.00 -0.04 0.05 -0.04 2.34 2.31 1a02J1 GLU 292 HG3 0.00 0.08 0.12 -0.04 2.34 2.51 1a02J1 LYS 293 H 0.00 0.33 -0.48 -0.55 8.42 7.71 1a02J1 LYS 293 HA 0.00 -0.00 0.43 -0.75 4.32 4.00 1a02J1 LYS 293 HB2 0.00 0.02 0.11 -0.04 1.87 1.95 1a02J1 LYS 293 HB3 0.00 0.07 0.22 -0.04 1.79 2.04 1a02J1 LYS 293 HG2 0.00 0.04 -0.17 -0.04 1.46 1.29 1a02J1 LYS 293 HG3 0.00 -0.09 -0.03 -0.04 1.46 1.29 1a02J1 LYS 293 HD2 0.00 0.01 -0.01 -0.04 1.69 1.65 1a02J1 LYS 293 HD3 0.00 -0.02 -0.02 -0.04 1.68 1.60 1a02J1 LYS 293 HE2 0.00 -0.04 0.01 -0.04 2.99 2.92 1a02J1 LYS 293 HE3 0.00 0.04 -0.01 -0.04 2.99 2.98 1a02J1 VAL 294 H 0.00 0.56 -0.08 -0.55 8.24 8.17 1a02J1 VAL 294 HA 0.00 -0.02 0.41 -0.75 4.13 3.76 1a02J1 VAL 294 HB 0.00 0.11 0.27 -0.04 2.12 2.45 1a02J1 VAL 294 HG13 0.00 -0.02 -0.10 -0.04 0.97 0.81 1a02J1 VAL 294 HG23 0.00 0.02 0.10 -0.04 0.95 1.03 1a02J1 LYS 295 H 0.00 0.55 -0.24 -0.55 8.42 8.18 1a02J1 LYS 295 HA 0.00 0.01 0.40 -0.75 4.32 3.97 1a02J1 LYS 295 HB2 0.00 0.14 0.20 -0.04 1.87 2.17 1a02J1 LYS 295 HB3 0.00 -0.05 0.03 -0.04 1.79 1.73 1a02J1 LYS 295 HG2 0.00 -0.04 0.04 -0.04 1.46 1.42 1a02J1 LYS 295 HG3 0.00 0.12 0.03 -0.04 1.46 1.57 1a02J1 LYS 295 HD2 0.00 -0.00 0.02 -0.04 1.69 1.66 1a02J1 LYS 295 HD3 0.00 -0.02 0.01 -0.04 1.68 1.63 1a02J1 LYS 295 HE2 0.00 -0.01 -0.01 -0.04 2.99 2.93 1a02J1 LYS 295 HE3 0.00 -0.01 -0.01 -0.04 2.99 2.93 1a02J1 THR 296 H 0.00 0.51 -0.01 -0.55 8.28 8.23 1a02J1 THR 296 HA 0.00 -0.03 0.34 -0.75 4.39 3.94 1a02J1 THR 296 HB 0.00 -0.01 0.01 -0.04 4.32 4.28 1a02J1 THR 296 HG23 0.00 -0.02 0.07 -0.04 1.22 1.23 1a02J1 LEU 297 H 0.00 0.65 -0.14 -0.55 8.37 8.33 1a02J1 LEU 297 HA 0.00 -0.03 0.39 -0.75 4.35 3.95 1a02J1 LEU 297 HB2 0.00 0.12 0.15 -0.04 1.64 1.87 1a02J1 LEU 297 HB3 0.00 -0.05 0.02 -0.04 1.64 1.57 1a02J1 LEU 297 HG 0.00 0.12 0.06 -0.04 1.64 1.77 1a02J1 LEU 297 HD13 0.00 -0.01 -0.04 -0.04 0.93 0.84 1a02J1 LEU 297 HD23 0.00 -0.02 0.01 -0.04 0.89 0.83 1a02J1 LYS 298 H 0.00 0.60 -0.07 -0.55 8.42 8.40 1a02J1 LYS 298 HA 0.00 -0.01 0.45 -0.75 4.32 4.01 1a02J1 LYS 298 HB2 0.00 0.24 0.24 -0.04 1.87 2.31 1a02J1 LYS 298 HB3 0.00 -0.07 0.04 -0.04 1.79 1.72 1a02J1 LYS 298 HG2 0.00 -0.06 0.07 -0.04 1.46 1.43 1a02J1 LYS 298 HG3 0.00 -0.01 0.09 -0.04 1.46 1.50 1a02J1 LYS 298 HD2 0.00 0.09 -0.02 -0.04 1.69 1.72 1a02J1 LYS 298 HD3 0.00 -0.04 0.02 -0.04 1.68 1.63 1a02J1 LYS 298 HE2 0.00 -0.02 0.01 -0.04 2.99 2.94 1a02J1 LYS 298 HE3 0.00 -0.01 0.01 -0.04 2.99 2.95 1a02J1 ALA 299 H 0.00 0.46 -0.22 -0.55 8.40 8.09 1a02J1 ALA 299 HA 0.00 0.02 0.50 -0.75 4.34 4.10 1a02J1 ALA 299 HB3 0.00 0.04 0.13 -0.04 1.41 1.53 1a02J1 GLN 300 H 0.00 0.73 0.14 -0.55 8.47 8.79 1a02J1 GLN 300 HA 0.00 -0.02 0.46 -0.75 4.36 4.04 1a02J1 GLN 300 HB2 0.00 0.10 0.16 -0.04 2.15 2.37 1a02J1 GLN 300 HB3 0.00 -0.05 0.03 -0.04 2.02 1.96 1a02J1 GLN 300 HG2 0.00 -0.05 0.06 -0.04 2.40 2.37 1a02J1 GLN 300 HG3 0.00 0.15 0.09 -0.04 2.39 2.59 1a02J1 GLN 300 HE21 0.00 -0.00 -0.01 -0.04 6.97 6.92 1a02J1 GLN 300 HE22 0.00 -0.02 0.01 -0.04 7.69 7.64 1a02J1 ASN 301 H 0.00 0.70 -0.17 -0.55 8.53 8.51 1a02J1 ASN 301 HA 0.00 -0.00 0.47 -0.75 4.76 4.48 1a02J1 ASN 301 HB2 0.00 0.14 0.15 -0.04 2.88 3.14 1a02J1 ASN 301 HB3 0.00 -0.05 0.00 -0.04 2.79 2.70 1a02J1 ASN 301 HD21 0.00 -0.03 -0.01 -0.04 7.03 6.94 1a02J1 ASN 301 HD22 0.00 -0.01 -0.01 -0.04 7.74 7.68 1a02J1 SER 302 H 0.00 0.40 -0.34 -0.55 8.46 7.97 1a02J1 SER 302 HA 0.00 0.02 0.50 -0.75 4.49 4.25 1a02J1 SER 302 HB2 0.00 -0.01 0.16 -0.04 3.95 4.07 1a02J1 SER 302 HB3 0.00 0.22 0.35 -0.04 3.93 4.46 1a02J1 GLU 303 H 0.00 0.59 0.08 -0.55 8.60 8.72 1a02J1 GLU 303 HA 0.00 -0.00 0.38 -0.75 4.29 3.91 1a02J1 GLU 303 HB2 0.00 0.10 0.20 -0.04 2.09 2.35 1a02J1 GLU 303 HB3 0.00 -0.05 0.06 -0.04 1.99 1.96 1a02J1 GLU 303 HG2 0.00 -0.04 0.07 -0.04 2.34 2.33 1a02J1 GLU 303 HG3 0.00 0.11 0.07 -0.04 2.34 2.48 1a02J1 LEU 304 H 0.00 0.67 -0.21 -0.55 8.37 8.29 1a02J1 LEU 304 HA 0.00 -0.04 0.39 -0.75 4.35 3.94 1a02J1 LEU 304 HB2 0.00 0.09 0.15 -0.04 1.64 1.84 1a02J1 LEU 304 HB3 0.00 -0.06 0.06 -0.04 1.64 1.60 1a02J1 LEU 304 HG 0.00 0.28 0.14 -0.04 1.64 2.02 1a02J1 LEU 304 HD13 0.00 -0.03 -0.08 -0.04 0.93 0.78 1a02J1 LEU 304 HD23 0.00 -0.03 0.01 -0.04 0.89 0.82 1a02J1 ALA 305 H 0.00 0.53 -0.33 -0.55 8.40 8.06 1a02J1 ALA 305 HA 0.00 -0.01 0.42 -0.75 4.34 3.99 1a02J1 ALA 305 HB3 0.00 0.04 0.16 -0.04 1.41 1.57 1a02J1 SER 306 H 0.00 0.46 -0.19 -0.55 8.46 8.19 1a02J1 SER 306 HA 0.00 0.03 0.46 -0.75 4.49 4.23 1a02J1 SER 306 HB2 0.00 0.18 0.26 -0.04 3.95 4.35 1a02J1 SER 306 HB3 0.00 -0.07 0.02 -0.04 3.93 3.84 1a02J1 THR 307 H 0.00 0.66 0.11 -0.55 8.28 8.50 1a02J1 THR 307 HA 0.00 -0.05 0.37 -0.75 4.39 3.95 1a02J1 THR 307 HB 0.00 0.10 0.16 -0.04 4.32 4.54 1a02J1 THR 307 HG23 0.00 -0.02 -0.00 -0.04 1.22 1.16 1a02J1 ALA 308 H 0.00 0.61 -0.34 -0.55 8.40 8.12 1a02J1 ALA 308 HA 0.00 -0.04 0.32 -0.75 4.34 3.87 1a02J1 ALA 308 HB3 0.00 0.04 0.11 -0.04 1.41 1.52 1a02J1 ASN 309 H 0.00 0.46 -0.23 -0.55 8.53 8.21 1a02J1 ASN 309 HA 0.00 0.03 0.59 -0.75 4.76 4.62 1a02J1 ASN 309 HB2 0.00 0.11 0.25 -0.04 2.88 3.21 1a02J1 ASN 309 HB3 0.00 -0.08 0.02 -0.04 2.79 2.68 1a02J1 ASN 309 HD21 0.00 -0.07 0.01 -0.04 7.03 6.93 1a02J1 ASN 309 HD22 0.00 0.07 0.00 -0.04 7.74 7.77 1a02J1 MET 310 H 0.00 0.59 0.01 -0.55 8.47 8.53 1a02J1 MET 310 HA 0.00 0.02 0.49 -0.75 4.52 4.27 1a02J1 MET 310 HB2 0.00 -0.01 0.09 -0.04 2.15 2.18 1a02J1 MET 310 HB3 0.00 0.08 0.23 -0.04 2.03 2.29 1a02J1 MET 310 HG2 0.00 -0.01 0.01 -0.04 2.63 2.59 1a02J1 MET 310 HG3 0.00 -0.00 -0.21 -0.04 2.56 2.30 1a02J1 MET 310 HE3 0.00 -0.01 0.03 -0.04 2.10 2.07 1a02J1 LEU 311 H 0.00 0.57 0.05 -0.55 8.37 8.44 1a02J1 LEU 311 HA 0.00 -0.05 0.23 -0.75 4.35 3.77 1a02J1 LEU 311 HB2 0.00 0.14 0.06 -0.04 1.64 1.79 1a02J1 LEU 311 HB3 0.00 -0.06 0.05 -0.04 1.64 1.60 1a02J1 LEU 311 HG 0.00 0.20 0.12 -0.04 1.64 1.92 1a02J1 LEU 311 HD13 0.00 -0.02 -0.03 -0.04 0.93 0.85 1a02J1 LEU 311 HD23 0.00 -0.03 0.01 -0.04 0.89 0.83 1a02J1 ARG 312 H 0.00 0.27 -0.61 -0.55 8.46 7.57 1a02J1 ARG 312 HA 0.00 -0.02 0.41 -0.75 4.34 3.98 1a02J1 ARG 312 HB2 0.00 0.34 0.26 -0.04 1.90 2.46 1a02J1 ARG 312 HB3 0.00 0.04 0.14 -0.04 1.80 1.94 1a02J1 ARG 312 HG2 0.00 -0.04 0.02 -0.04 1.67 1.61 1a02J1 ARG 312 HG3 0.00 -0.03 0.06 -0.04 1.67 1.65 1a02J1 ARG 312 HD2 0.00 -0.01 -0.01 -0.04 3.22 3.16 1a02J1 ARG 312 HD3 0.00 -0.05 -0.00 -0.04 3.22 3.13 1a02J1 GLU 313 H 0.00 0.58 -0.03 -0.55 8.60 8.60 1a02J1 GLU 313 HA 0.00 -0.01 0.40 -0.75 4.29 3.93 1a02J1 GLU 313 HB2 0.00 0.13 0.28 -0.04 2.09 2.46 1a02J1 GLU 313 HB3 0.00 -0.06 0.02 -0.04 1.99 1.90 1a02J1 GLU 313 HG2 0.00 -0.05 0.06 -0.04 2.34 2.30 1a02J1 GLU 313 HG3 0.00 0.10 0.13 -0.04 2.34 2.52 1a02J1 GLN 314 H 0.00 0.43 -0.03 -0.55 8.47 8.33 1a02J1 GLN 314 HA 0.00 -0.00 0.31 -0.75 4.36 3.91 1a02J1 GLN 314 HB2 0.00 0.06 0.09 -0.04 2.15 2.26 1a02J1 GLN 314 HB3 0.00 -0.02 -0.05 -0.04 2.02 1.90 1a02J1 GLN 314 HG2 0.00 -0.03 0.01 -0.04 2.40 2.34 1a02J1 GLN 314 HG3 0.00 0.16 -0.04 -0.04 2.39 2.47 1a02J1 GLN 314 HE21 0.00 -0.03 -0.04 -0.04 6.97 6.87 1a02J1 GLN 314 HE22 0.00 0.04 -0.04 -0.04 7.69 7.64 1a02J1 VAL 315 H 0.00 0.56 -0.10 -0.55 8.24 8.15 1a02J1 VAL 315 HA 0.00 -0.04 0.40 -0.75 4.13 3.73 1a02J1 VAL 315 HB 0.00 0.17 0.16 -0.04 2.12 2.41 1a02J1 VAL 315 HG13 0.00 -0.02 -0.08 -0.04 0.97 0.83 1a02J1 VAL 315 HG23 0.00 -0.01 0.07 -0.04 0.95 0.97 1a02J1 ALA 316 H 0.00 0.48 -0.25 -0.55 8.40 8.08 1a02J1 ALA 316 HA 0.00 -0.04 0.39 -0.75 4.34 3.93 1a02J1 ALA 316 HB3 0.00 0.02 0.15 -0.04 1.41 1.53 1a02J1 GLN 317 H 0.00 0.52 -0.27 -0.55 8.47 8.17 1a02J1 GLN 317 HA 0.00 0.13 0.90 -0.75 4.36 4.64 1a02J1 GLN 317 HB2 0.00 -0.08 0.16 -0.04 2.15 2.19 1a02J1 GLN 317 HB3 0.00 -0.03 0.02 -0.04 2.02 1.96 1a02J1 GLN 317 HG2 0.00 0.31 0.12 -0.04 2.40 2.78 1a02J1 GLN 317 HG3 0.00 -0.05 -0.15 -0.04 2.39 2.15 1a02J1 GLN 317 HE21 0.00 -0.05 -0.04 -0.04 6.97 6.83 1a02J1 GLN 317 HE22 0.00 -0.01 -0.03 -0.04 7.69 7.61 1a02J1 LEU 318 H 0.00 0.49 -0.27 -0.55 8.37 8.05 1a02J1 LEU 318 HA 0.00 0.13 0.63 -0.75 4.35 4.36 1a02J1 LEU 318 HB2 0.00 0.16 0.14 -0.04 1.64 1.91 1a02J1 LEU 318 HB3 0.00 -0.07 0.08 -0.04 1.64 1.60 1a02J1 LEU 318 HG 0.00 0.04 -0.13 -0.04 1.64 1.51 1a02J1 LEU 318 HD13 0.00 -0.03 -0.01 -0.04 0.93 0.85 1a02J1 LEU 318 HD23 0.00 -0.01 -0.16 -0.04 0.89 0.68