============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. TYR 42 0.840 31.415 14.720 1.247 -99.200 -91.000 PHE 47 1.000 30.912 8.668 -3.912 -99.200 -91.000 PHE 48 1.000 29.437 0.995 -3.804 -99.200 -91.000 PHE 49 1.000 23.945 7.460 -4.406 -99.200 -91.000 PHE 62 1.000 26.319 -5.258 6.083 -99.200 -91.000 TYR 67 0.840 34.859 0.225 -4.746 -99.200 -91.000 TYR 95 0.840 28.169 2.223 14.230 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2yv4A1 ALA 236 HA -0.11 0.01 0.18 -0.75 4.34 3.67 2yv4A1 ALA 236 HB3 -0.03 -0.01 0.01 -0.04 1.41 1.34 2yv4A1 PRO 237 HA -0.10 0.01 0.47 -0.51 4.44 4.32 2yv4A1 PRO 237 HB2 -0.08 -0.01 -0.02 -0.04 2.28 2.12 2yv4A1 PRO 237 HB3 -0.15 -0.02 0.04 -0.04 2.02 1.85 2yv4A1 PRO 237 HG2 -0.07 0.15 0.01 -0.04 2.03 2.08 2yv4A1 PRO 237 HG3 -0.13 -0.05 -0.00 -0.04 2.03 1.81 2yv4A1 PRO 237 HD2 -0.12 0.10 0.11 -0.04 3.68 3.74 2yv4A1 PRO 237 HD3 -0.27 0.07 0.08 -0.04 3.65 3.48 2yv4A1 ASN 238 H -0.06 0.08 0.18 -0.55 8.53 8.19 2yv4A1 ASN 238 HA -0.03 0.11 0.51 -0.75 4.76 4.60 2yv4A1 ASN 238 HB2 -0.04 0.00 0.09 -0.04 2.88 2.90 2yv4A1 ASN 238 HB3 -0.03 -0.03 0.05 -0.04 2.79 2.74 2yv4A1 ASN 238 HD21 -0.03 -0.03 0.01 -0.04 7.03 6.94 2yv4A1 ASN 238 HD22 -0.04 0.03 0.05 -0.04 7.74 7.74 2yv4A1 ALA 239 H -0.04 -0.03 -0.09 -0.55 8.40 7.69 2yv4A1 ALA 239 HA -0.02 0.16 0.54 -0.75 4.34 4.27 2yv4A1 ALA 239 HB3 -0.02 0.02 -0.24 -0.04 1.41 1.13 2yv4A1 GLU 240 H -0.00 0.48 0.32 -0.55 8.60 8.86 2yv4A1 GLU 240 HA 0.01 0.13 0.50 -0.75 4.29 4.17 2yv4A1 GLU 240 HB2 0.00 0.05 0.16 -0.04 2.09 2.26 2yv4A1 GLU 240 HB3 0.01 -0.10 0.15 -0.04 1.99 2.01 2yv4A1 GLU 240 HG2 0.02 0.04 -0.13 -0.04 2.34 2.23 2yv4A1 GLU 240 HG3 0.01 0.03 0.03 -0.04 2.34 2.37 2yv4A1 VAL 241 H 0.03 0.24 0.23 -0.55 8.24 8.19 2yv4A1 VAL 241 HA 0.01 0.26 1.07 -0.75 4.13 4.71 2yv4A1 VAL 241 HB 0.07 0.09 0.22 -0.04 2.12 2.46 2yv4A1 VAL 241 HG13 -0.05 -0.03 -0.14 -0.04 0.97 0.70 2yv4A1 VAL 241 HG23 -0.03 0.06 -0.13 -0.04 0.95 0.80 2yv4A1 ILE 242 H 0.02 0.77 0.37 -0.55 8.25 8.86 2yv4A1 ILE 242 HA 0.07 0.18 1.04 -0.75 4.18 4.71 2yv4A1 ILE 242 HB 0.02 -0.03 0.06 -0.04 1.89 1.90 2yv4A1 ILE 242 HG12 0.03 0.02 -0.15 -0.04 1.49 1.35 2yv4A1 ILE 242 HG13 0.03 0.01 -0.44 -0.04 1.21 0.76 2yv4A1 ILE 242 HG23 0.02 -0.03 -0.30 -0.04 0.93 0.59 2yv4A1 ILE 242 HD13 0.02 -0.01 -0.15 -0.04 0.88 0.70 2yv4A1 VAL 243 H 0.09 0.83 0.32 -0.55 8.24 8.93 2yv4A1 VAL 243 HA -0.02 0.25 0.99 -0.75 4.13 4.59 2yv4A1 VAL 243 HB 0.06 -0.02 0.17 -0.04 2.12 2.29 2yv4A1 VAL 243 HG13 -0.03 -0.00 -0.18 -0.04 0.97 0.72 2yv4A1 VAL 243 HG23 -0.26 0.02 -0.09 -0.04 0.95 0.57 2yv4A1 VAL 244 H -0.00 0.50 0.25 -0.55 8.24 8.43 2yv4A1 VAL 244 HA 0.00 0.32 0.98 -0.75 4.13 4.68 2yv4A1 VAL 244 HB -0.03 -0.09 0.11 -0.04 2.12 2.07 2yv4A1 VAL 244 HG13 -0.03 -0.01 -0.19 -0.04 0.97 0.70 2yv4A1 VAL 244 HG23 -0.02 0.02 -0.19 -0.04 0.95 0.71 2yv4A1 GLU 245 H 0.01 0.55 0.28 -0.55 8.60 8.89 2yv4A1 GLU 245 HA 0.01 0.37 1.06 -0.75 4.29 4.97 2yv4A1 GLU 245 HB2 0.01 -0.09 0.02 -0.04 2.09 1.99 2yv4A1 GLU 245 HB3 0.02 0.06 -0.03 -0.04 1.99 1.99 2yv4A1 GLU 245 HG2 0.03 0.07 -0.10 -0.04 2.34 2.31 2yv4A1 GLU 245 HG3 0.02 -0.04 -0.01 -0.04 2.34 2.26 2yv4A1 GLY 246 H 0.01 0.29 0.28 -0.55 8.43 8.46 2yv4A1 GLY 246 HA2 0.01 0.07 0.35 -0.51 4.01 3.93 2yv4A1 GLY 246 HA3 0.01 0.20 0.83 -0.51 4.01 4.54 2yv4A1 PRO 247 HA 0.01 -0.06 0.63 -0.51 4.44 4.52 2yv4A1 PRO 247 HB2 0.01 -0.04 0.10 -0.04 2.28 2.31 2yv4A1 PRO 247 HB3 0.01 0.12 0.18 -0.04 2.02 2.29 2yv4A1 PRO 247 HG2 0.01 -0.14 0.14 -0.04 2.03 1.99 2yv4A1 PRO 247 HG3 0.01 0.17 0.12 -0.04 2.03 2.29 2yv4A1 PRO 247 HD2 0.01 0.21 0.26 -0.04 3.68 4.12 2yv4A1 PRO 247 HD3 0.01 0.20 0.21 -0.04 3.65 4.02 2yv4A1 ARG 248 H 0.02 0.12 0.27 -0.55 8.46 8.31 2yv4A1 ARG 248 HA 0.04 0.09 0.37 -0.75 4.34 4.08 2yv4A1 ARG 248 HB2 0.04 -0.00 0.19 -0.04 1.90 2.09 2yv4A1 ARG 248 HB3 0.03 0.00 0.16 -0.04 1.80 1.96 2yv4A1 ARG 248 HG2 0.06 0.03 -0.26 -0.04 1.67 1.46 2yv4A1 ARG 248 HG3 0.07 -0.00 0.05 -0.04 1.67 1.75 2yv4A1 ARG 248 HD2 0.04 0.02 -0.01 -0.04 3.22 3.23 2yv4A1 ARG 248 HD3 0.06 0.05 -0.02 -0.04 3.22 3.27 2yv4A1 GLU 249 H 0.02 0.08 -0.15 -0.55 8.60 8.01 2yv4A1 GLU 249 HA 0.03 0.10 0.37 -0.75 4.29 4.03 2yv4A1 GLU 249 HB2 0.02 0.02 0.10 -0.04 2.09 2.18 2yv4A1 GLU 249 HB3 0.01 -0.04 0.07 -0.04 1.99 1.98 2yv4A1 GLU 249 HG2 0.01 0.03 -0.26 -0.04 2.34 2.08 2yv4A1 GLU 249 HG3 0.02 0.02 0.02 -0.04 2.34 2.36 2yv4A1 LYS 250 H 0.01 0.12 -0.20 -0.55 8.42 7.79 2yv4A1 LYS 250 HA 0.00 0.10 0.47 -0.75 4.32 4.14 2yv4A1 LYS 250 HB2 0.00 0.06 0.09 -0.04 1.87 1.98 2yv4A1 LYS 250 HB3 -0.00 -0.07 -0.02 -0.04 1.79 1.65 2yv4A1 LYS 250 HG2 0.00 0.03 0.02 -0.04 1.46 1.47 2yv4A1 LYS 250 HG3 0.01 -0.07 0.03 -0.04 1.46 1.39 2yv4A1 LYS 250 HD2 0.00 0.00 0.04 -0.04 1.69 1.70 2yv4A1 LYS 250 HD3 0.00 0.05 0.01 -0.04 1.68 1.70 2yv4A1 LYS 250 HE2 0.00 0.07 0.01 -0.04 2.99 3.03 2yv4A1 LYS 250 HE3 0.00 0.00 0.00 -0.04 2.99 2.96 2yv4A1 VAL 251 H 0.00 0.49 -0.23 -0.55 8.24 7.95 2yv4A1 VAL 251 HA -0.04 0.05 0.28 -0.75 4.13 3.66 2yv4A1 VAL 251 HB 0.01 0.01 0.01 -0.04 2.12 2.10 2yv4A1 VAL 251 HG13 -0.03 -0.01 -0.21 -0.04 0.97 0.68 2yv4A1 VAL 251 HG23 0.00 0.03 -0.45 -0.04 0.95 0.48 2yv4A1 LYS 252 H 0.01 0.58 -0.13 -0.55 8.42 8.32 2yv4A1 LYS 252 HA -0.22 -0.00 0.34 -0.75 4.32 3.68 2yv4A1 LYS 252 HB2 0.07 0.15 0.12 -0.04 1.87 2.17 2yv4A1 LYS 252 HB3 0.20 -0.01 -0.01 -0.04 1.79 1.92 2yv4A1 LYS 252 HG2 0.37 -0.06 0.01 -0.04 1.46 1.74 2yv4A1 LYS 252 HG3 0.12 0.10 0.06 -0.04 1.46 1.70 2yv4A1 LYS 252 HD2 0.09 0.01 -0.04 -0.04 1.69 1.71 2yv4A1 LYS 252 HD3 0.15 0.01 -0.03 -0.04 1.68 1.78 2yv4A1 LYS 252 HE2 0.10 -0.06 -0.04 -0.04 2.99 2.95 2yv4A1 LYS 252 HE3 0.07 0.02 -0.04 -0.04 2.99 3.00 2yv4A1 GLY 253 H -0.01 0.30 -0.29 -0.55 8.43 7.88 2yv4A1 GLY 253 HA2 -0.01 0.04 0.44 -0.51 4.01 3.97 2yv4A1 GLY 253 HA3 -0.01 0.06 0.29 -0.51 4.01 3.84 2yv4A1 LYS 254 H -0.06 0.52 -0.11 -0.55 8.42 8.23 2yv4A1 LYS 254 HA -0.04 0.04 0.43 -0.75 4.32 4.01 2yv4A1 LYS 254 HB2 -0.03 -0.07 0.09 -0.04 1.87 1.82 2yv4A1 LYS 254 HB3 -0.06 0.05 0.13 -0.04 1.79 1.87 2yv4A1 LYS 254 HG2 -0.02 0.02 -0.21 -0.04 1.46 1.21 2yv4A1 LYS 254 HG3 -0.04 -0.00 -0.29 -0.04 1.46 1.08 2yv4A1 LYS 254 HD2 -0.02 0.03 -0.08 -0.04 1.69 1.59 2yv4A1 LYS 254 HD3 -0.02 -0.05 0.06 -0.04 1.68 1.62 2yv4A1 LYS 254 HE2 -0.02 -0.07 0.02 -0.04 2.99 2.88 2yv4A1 LYS 254 HE3 -0.01 0.16 0.04 -0.04 2.99 3.14 2yv4A1 ILE 255 H -0.20 0.69 -0.06 -0.55 8.25 8.13 2yv4A1 ILE 255 HA -0.13 0.02 0.34 -0.75 4.18 3.66 2yv4A1 ILE 255 HB -0.91 0.04 0.07 -0.04 1.89 1.04 2yv4A1 ILE 255 HG12 -0.14 0.00 -0.06 -0.04 1.49 1.26 2yv4A1 ILE 255 HG13 -0.20 0.11 0.02 -0.04 1.21 1.09 2yv4A1 ILE 255 HG23 -0.28 0.00 -0.19 -0.04 0.93 0.42 2yv4A1 ILE 255 HD13 -0.16 -0.03 -0.10 -0.04 0.88 0.55 2yv4A1 THR 256 H -0.22 0.46 -0.20 -0.55 8.28 7.78 2yv4A1 THR 256 HA 0.04 0.08 0.38 -0.75 4.39 4.14 2yv4A1 THR 256 HB -0.00 0.11 0.13 -0.04 4.32 4.52 2yv4A1 THR 256 HG23 0.05 -0.01 -0.05 -0.04 1.22 1.17 2yv4A1 GLU 257 H -0.04 0.42 -0.31 -0.55 8.60 8.12 2yv4A1 GLU 257 HA -0.00 -0.01 0.40 -0.75 4.29 3.93 2yv4A1 GLU 257 HB2 -0.01 0.02 0.13 -0.04 2.09 2.18 2yv4A1 GLU 257 HB3 -0.02 0.16 0.21 -0.04 1.99 2.30 2yv4A1 GLU 257 HG2 -0.00 -0.02 -0.23 -0.04 2.34 2.05 2yv4A1 GLU 257 HG3 -0.00 -0.04 0.01 -0.04 2.34 2.27 2yv4A1 LEU 258 H -0.03 0.61 -0.02 -0.55 8.37 8.38 2yv4A1 LEU 258 HA -0.00 -0.01 0.39 -0.75 4.35 3.98 2yv4A1 LEU 258 HB2 -0.03 0.08 0.12 -0.04 1.64 1.77 2yv4A1 LEU 258 HB3 -0.00 -0.03 -0.08 -0.04 1.64 1.49 2yv4A1 LEU 258 HG -0.02 0.07 -0.01 -0.04 1.64 1.64 2yv4A1 LEU 258 HD13 -0.01 -0.02 -0.14 -0.04 0.93 0.71 2yv4A1 LEU 258 HD23 -0.00 -0.01 -0.05 -0.04 0.89 0.79 2yv4A1 VAL 259 H 0.00 0.67 -0.13 -0.55 8.24 8.23 2yv4A1 VAL 259 HA 0.03 -0.03 0.37 -0.75 4.13 3.76 2yv4A1 VAL 259 HB 0.05 0.16 0.13 -0.04 2.12 2.42 2yv4A1 VAL 259 HG13 0.06 -0.01 -0.27 -0.04 0.97 0.72 2yv4A1 VAL 259 HG23 0.08 0.01 -0.06 -0.04 0.95 0.94 2yv4A1 LYS 260 H 0.02 0.47 -0.13 -0.55 8.42 8.23 2yv4A1 LYS 260 HA 0.02 0.01 0.39 -0.75 4.32 3.99 2yv4A1 LYS 260 HB2 0.01 0.14 0.18 -0.04 1.87 2.17 2yv4A1 LYS 260 HB3 0.01 -0.06 0.02 -0.04 1.79 1.71 2yv4A1 LYS 260 HG2 0.02 -0.05 0.05 -0.04 1.46 1.44 2yv4A1 LYS 260 HG3 0.03 0.14 0.10 -0.04 1.46 1.69 2yv4A1 LYS 260 HD2 0.01 0.01 -0.01 -0.04 1.69 1.66 2yv4A1 LYS 260 HD3 0.01 -0.05 0.00 -0.04 1.68 1.61 2yv4A1 LYS 260 HE2 0.02 -0.02 -0.01 -0.04 2.99 2.93 2yv4A1 LYS 260 HE3 0.03 0.04 -0.03 -0.04 2.99 2.99 2yv4A1 GLU 261 H 0.01 0.50 -0.16 -0.55 8.60 8.40 2yv4A1 GLU 261 HA 0.01 -0.01 0.39 -0.75 4.29 3.92 2yv4A1 GLU 261 HB2 0.01 0.09 0.19 -0.04 2.09 2.34 2yv4A1 GLU 261 HB3 0.01 -0.04 -0.04 -0.04 1.99 1.88 2yv4A1 GLU 261 HG2 0.00 -0.05 0.01 -0.04 2.34 2.27 2yv4A1 GLU 261 HG3 0.00 0.05 0.04 -0.04 2.34 2.39 2yv4A1 LEU 262 H 0.01 0.77 -0.04 -0.55 8.37 8.56 2yv4A1 LEU 262 HA 0.01 -0.01 0.41 -0.75 4.35 4.01 2yv4A1 LEU 262 HB2 0.02 0.09 0.13 -0.04 1.64 1.84 2yv4A1 LEU 262 HB3 0.02 -0.06 -0.04 -0.04 1.64 1.51 2yv4A1 LEU 262 HG 0.01 0.20 0.03 -0.04 1.64 1.85 2yv4A1 LEU 262 HD13 0.02 -0.03 -0.16 -0.04 0.93 0.72 2yv4A1 LEU 262 HD23 0.01 -0.02 -0.07 -0.04 0.89 0.77 2yv4A1 LYS 263 H 0.02 0.70 -0.06 -0.55 8.42 8.52 2yv4A1 LYS 263 HA 0.02 0.14 0.44 -0.75 4.32 4.16 2yv4A1 LYS 263 HB2 0.02 0.10 0.21 -0.04 1.87 2.16 2yv4A1 LYS 263 HB3 0.02 -0.06 -0.00 -0.04 1.79 1.70 2yv4A1 LYS 263 HG2 0.03 -0.04 0.09 -0.04 1.46 1.50 2yv4A1 LYS 263 HG3 0.03 0.06 0.08 -0.04 1.46 1.59 2yv4A1 LYS 263 HD2 0.03 -0.02 -0.04 -0.04 1.69 1.62 2yv4A1 LYS 263 HD3 0.02 -0.05 0.00 -0.04 1.68 1.61 2yv4A1 LYS 263 HE2 0.04 -0.09 -0.01 -0.04 2.99 2.88 2yv4A1 LYS 263 HE3 0.05 -0.04 0.03 -0.04 2.99 2.99 2yv4A1 GLU 264 H 0.01 0.66 -0.05 -0.55 8.60 8.67 2yv4A1 GLU 264 HA 0.01 -0.02 0.39 -0.75 4.29 3.92 2yv4A1 GLU 264 HB2 0.01 -0.00 0.13 -0.04 2.09 2.19 2yv4A1 GLU 264 HB3 0.01 0.11 0.11 -0.04 1.99 2.18 2yv4A1 GLU 264 HG2 0.01 -0.07 0.01 -0.04 2.34 2.25 2yv4A1 GLU 264 HG3 0.01 0.01 -0.03 -0.04 2.34 2.28 2yv4A1 ARG 265 H 0.01 0.32 -0.60 -0.55 8.46 7.63 2yv4A1 ARG 265 HA 0.01 0.06 0.67 -0.75 4.34 4.32 2yv4A1 ARG 265 HB2 0.01 0.11 0.15 -0.04 1.90 2.13 2yv4A1 ARG 265 HB3 0.01 -0.08 0.11 -0.04 1.80 1.80 2yv4A1 ARG 265 HG2 0.01 -0.07 0.02 -0.04 1.67 1.58 2yv4A1 ARG 265 HG3 0.01 0.08 -0.02 -0.04 1.67 1.69 2yv4A1 ARG 265 HD2 0.00 -0.08 -0.05 -0.04 3.22 3.06 2yv4A1 ARG 265 HD3 0.01 0.02 -0.13 -0.04 3.22 3.08 2yv4A1 GLY 266 H 0.01 0.58 -0.21 -0.55 8.43 8.26 2yv4A1 GLY 266 HA2 0.01 0.01 0.31 -0.51 4.01 3.83 2yv4A1 GLY 266 HA3 0.01 0.07 0.67 -0.51 4.01 4.25 2yv4A1 LYS 267 H 0.01 0.42 -0.05 -0.55 8.42 8.25 2yv4A1 LYS 267 HA 0.01 0.09 0.64 -0.75 4.32 4.30 2yv4A1 LYS 267 HB2 0.01 -0.03 -0.03 -0.04 1.87 1.78 2yv4A1 LYS 267 HB3 0.01 -0.03 -0.09 -0.04 1.79 1.64 2yv4A1 LYS 267 HG2 0.01 0.05 -0.12 -0.04 1.46 1.36 2yv4A1 LYS 267 HG3 0.01 -0.05 -0.05 -0.04 1.46 1.33 2yv4A1 LYS 267 HD2 0.01 -0.02 -0.04 -0.04 1.69 1.59 2yv4A1 LYS 267 HD3 0.01 0.05 -0.08 -0.04 1.68 1.62 2yv4A1 LYS 267 HE2 0.00 0.00 -0.03 -0.04 2.99 2.92 2yv4A1 LYS 267 HE3 0.00 0.05 -0.06 -0.04 2.99 2.94 2yv4A1 LYS 268 H 0.01 0.17 0.23 -0.55 8.42 8.27 2yv4A1 LYS 268 HA 0.02 0.09 0.61 -0.75 4.32 4.29 2yv4A1 LYS 268 HB2 0.01 0.09 0.14 -0.04 1.87 2.07 2yv4A1 LYS 268 HB3 0.01 -0.11 0.24 -0.04 1.79 1.88 2yv4A1 LYS 268 HG2 0.03 -0.07 -0.21 -0.04 1.46 1.17 2yv4A1 LYS 268 HG3 0.02 -0.01 0.02 -0.04 1.46 1.46 2yv4A1 LYS 268 HD2 0.01 -0.01 -0.03 -0.04 1.69 1.62 2yv4A1 LYS 268 HD3 -0.00 0.11 -0.29 -0.04 1.68 1.46 2yv4A1 LYS 268 HE2 0.01 -0.07 -0.16 -0.04 2.99 2.73 2yv4A1 LYS 268 HE3 0.02 -0.06 -0.05 -0.04 2.99 2.86 2yv4A1 VAL 269 H 0.04 0.16 0.22 -0.55 8.24 8.11 2yv4A1 VAL 269 HA 0.04 0.33 1.15 -0.75 4.13 4.89 2yv4A1 VAL 269 HB 0.04 0.03 -0.12 -0.04 2.12 2.02 2yv4A1 VAL 269 HG13 0.05 -0.03 0.13 -0.04 0.97 1.08 2yv4A1 VAL 269 HG23 0.06 0.00 -0.16 -0.04 0.95 0.80 2yv4A1 GLY 270 H 0.06 0.69 0.40 -0.55 8.43 9.04 2yv4A1 GLY 270 HA2 0.13 0.15 1.05 -0.51 4.01 4.84 2yv4A1 GLY 270 HA3 0.10 0.05 0.24 -0.51 4.01 3.89 2yv4A1 VAL 271 H 0.21 0.62 0.34 -0.55 8.24 8.87 2yv4A1 VAL 271 HA 0.14 0.29 1.15 -0.75 4.13 4.97 2yv4A1 VAL 271 HB 0.38 -0.02 0.20 -0.04 2.12 2.64 2yv4A1 VAL 271 HG13 0.44 -0.03 -0.24 -0.04 0.97 1.10 2yv4A1 VAL 271 HG23 0.22 -0.00 -0.12 -0.04 0.95 1.00 2yv4A1 ILE 272 H 0.10 0.75 0.29 -0.55 8.25 8.84 2yv4A1 ILE 272 HA -0.02 0.36 0.94 -0.75 4.18 4.70 2yv4A1 ILE 272 HB 0.00 -0.06 0.21 -0.04 1.89 2.00 2yv4A1 ILE 272 HG12 -0.02 0.04 -0.19 -0.04 1.49 1.28 2yv4A1 ILE 272 HG13 0.01 -0.05 -0.32 -0.04 1.21 0.81 2yv4A1 ILE 272 HG23 -0.03 -0.00 -0.12 -0.04 0.93 0.73 2yv4A1 ILE 272 HD13 -0.08 0.03 -0.21 -0.04 0.88 0.58 2yv4A1 GLY 273 H 0.16 0.39 0.09 -0.55 8.43 8.52 2yv4A1 GLY 273 HA2 0.12 0.15 0.56 -0.51 4.01 4.34 2yv4A1 GLY 273 HA3 0.30 -0.01 0.44 -0.51 4.01 4.23 2yv4A1 SER 274 H 0.28 0.14 0.17 -0.55 8.46 8.51 2yv4A1 SER 274 HA 0.50 0.12 0.69 -0.75 4.49 5.05 2yv4A1 SER 274 HB2 0.16 0.03 0.09 -0.04 3.95 4.19 2yv4A1 SER 274 HB3 0.20 0.02 0.08 -0.04 3.93 4.18 2yv4A1 GLU 275 H 0.09 0.20 -0.01 -0.55 8.60 8.33 2yv4A1 GLU 275 HA -0.70 0.16 0.40 -0.75 4.29 3.40 2yv4A1 GLU 275 HB2 -0.52 -0.08 0.11 -0.04 2.09 1.55 2yv4A1 GLU 275 HB3 -0.30 0.18 -0.05 -0.04 1.99 1.78 2yv4A1 GLU 275 HG2 -0.48 -0.10 -0.16 -0.04 2.34 1.56 2yv4A1 GLU 275 HG3 -1.82 -0.00 -0.24 -0.04 2.34 0.24 2yv4A1 SER 276 H -0.75 0.16 0.09 -0.55 8.46 7.42 2yv4A1 SER 276 HA -0.05 0.21 0.43 -0.75 4.49 4.33 2yv4A1 SER 276 HB2 -0.03 0.13 -0.03 -0.04 3.95 3.99 2yv4A1 SER 276 HB3 -0.45 0.06 0.04 -0.04 3.93 3.54 2yv4A1 TYR 277 H -0.43 0.06 -0.07 -0.55 8.29 7.30 2yv4A1 TYR 277 HA -0.02 0.02 0.24 -0.75 4.56 4.04 2yv4A1 TYR 277 HB2 0.03 0.28 -0.04 -0.04 3.06 3.29 2yv4A1 TYR 277 HB3 0.01 0.01 0.05 -0.04 2.98 3.01 2yv4A1 TYR 277 HD2 0.04 0.10 -0.17 -0.04 7.15 7.08 2yv4A1 TYR 277 HE2 0.05 -0.06 -0.03 -0.04 6.85 6.77 2yv4A1 ASN 278 H -0.04 -0.13 -0.40 -0.55 8.53 7.41 2yv4A1 ASN 278 HA 0.01 0.00 0.20 -0.75 4.76 4.21 2yv4A1 ASN 278 HB2 0.04 -0.07 -0.48 -0.04 2.88 2.32 2yv4A1 ASN 278 HB3 0.04 0.08 0.19 -0.04 2.79 3.05 2yv4A1 ASN 278 HD21 -0.00 -0.00 -0.03 -0.04 7.03 6.96 2yv4A1 ASN 278 HD22 0.00 -0.05 -0.09 -0.04 7.74 7.57 2yv4A1 ALA 279 H 0.10 0.18 -0.35 -0.55 8.40 7.78 2yv4A1 ALA 279 HA 0.09 0.08 0.42 -0.75 4.34 4.17 2yv4A1 ALA 279 HB3 0.15 0.05 0.01 -0.04 1.41 1.58 2yv4A1 ASP 280 H 0.08 0.43 0.34 -0.55 8.40 8.70 2yv4A1 ASP 280 HA 0.06 0.09 0.56 -0.75 4.63 4.59 2yv4A1 ASP 280 HB2 0.06 0.06 0.11 -0.04 2.71 2.91 2yv4A1 ASP 280 HB3 0.05 0.00 0.08 -0.04 2.70 2.79 2yv4A1 GLU 281 H 0.13 0.28 0.12 -0.55 8.60 8.59 2yv4A1 GLU 281 HA 0.20 0.17 0.76 -0.75 4.29 4.66 2yv4A1 GLU 281 HB2 0.16 -0.09 -0.06 -0.04 2.09 2.05 2yv4A1 GLU 281 HB3 0.30 0.04 -0.04 -0.04 1.99 2.25 2yv4A1 GLU 281 HG2 0.08 -0.09 -0.66 -0.04 2.34 1.64 2yv4A1 GLU 281 HG3 0.06 0.00 -0.23 -0.04 2.34 2.13 2yv4A1 PHE 282 H 0.27 0.28 0.15 -0.55 8.34 8.49 2yv4A1 PHE 282 HA 0.13 0.32 0.97 -0.75 4.62 5.29 2yv4A1 PHE 282 HB2 0.05 -0.02 -0.16 -0.04 3.15 2.98 2yv4A1 PHE 282 HB3 0.03 -0.01 -0.03 -0.04 3.06 3.01 2yv4A1 PHE 282 HD2 0.02 0.08 -0.19 -0.04 7.28 7.15 2yv4A1 PHE 282 HE2 0.03 -0.07 -0.35 -0.04 7.38 6.95 2yv4A1 PHE 282 HZ 0.18 0.06 -0.40 -0.04 7.32 7.12 2yv4A1 PHE 283 H -0.68 0.57 0.28 -0.55 8.34 7.95 2yv4A1 PHE 283 HA -0.56 0.08 0.69 -0.75 4.62 4.08 2yv4A1 PHE 283 HB2 -0.28 0.05 -0.17 -0.04 3.15 2.71 2yv4A1 PHE 283 HB3 -0.24 -0.02 0.02 -0.04 3.06 2.78 2yv4A1 PHE 283 HD2 -0.55 0.08 -0.15 -0.04 7.28 6.62 2yv4A1 PHE 283 HE2 -0.13 0.01 -0.03 -0.04 7.38 7.19 2yv4A1 PHE 283 HZ -0.05 -0.03 -0.07 -0.04 7.32 7.12 2yv4A1 PHE 284 H -0.53 0.13 0.08 -0.55 8.34 7.47 2yv4A1 PHE 284 HA -0.21 0.18 0.55 -0.75 4.62 4.39 2yv4A1 PHE 284 HB2 -0.09 0.01 0.08 -0.04 3.15 3.11 2yv4A1 PHE 284 HB3 -0.21 0.03 0.09 -0.04 3.06 2.93 2yv4A1 PHE 284 HD2 0.07 0.14 0.04 -0.04 7.28 7.49 2yv4A1 PHE 284 HE2 0.04 -0.00 -0.02 -0.04 7.38 7.35 2yv4A1 PHE 284 HZ 0.03 -0.03 -0.13 -0.04 7.32 7.14 2yv4A1 LEU 285 H -0.20 0.46 0.26 -0.55 8.37 8.35 2yv4A1 LEU 285 HA -0.14 0.14 0.40 -0.75 4.35 3.99 2yv4A1 LEU 285 HB2 -0.06 0.01 -0.19 -0.04 1.64 1.36 2yv4A1 LEU 285 HB3 -0.17 -0.09 0.01 -0.04 1.64 1.36 2yv4A1 LEU 285 HG -0.15 -0.02 -0.31 -0.04 1.64 1.13 2yv4A1 LEU 285 HD13 -0.06 0.01 -0.01 -0.04 0.93 0.83 2yv4A1 LEU 285 HD23 -0.03 -0.00 -0.01 -0.04 0.89 0.81 2yv4A1 GLY 286 H -1.88 0.03 -0.11 -0.55 8.43 5.92 2yv4A1 GLY 286 HA2 -0.75 0.01 0.25 -0.51 4.01 3.01 2yv4A1 GLY 286 HA3 -0.33 0.20 0.70 -0.51 4.01 4.07 2yv4A1 SER 287 H 0.05 0.14 0.11 -0.55 8.46 8.21 2yv4A1 SER 287 HA 0.04 0.24 0.87 -0.75 4.49 4.89 2yv4A1 SER 287 HB2 0.10 0.01 0.17 -0.04 3.95 4.19 2yv4A1 SER 287 HB3 0.26 0.02 0.02 -0.04 3.93 4.18 2yv4A1 SER 288 H -0.03 0.13 -0.06 -0.55 8.46 7.96 2yv4A1 SER 288 HA 0.01 0.29 0.83 -0.75 4.49 4.85 2yv4A1 SER 288 HB2 0.01 0.03 0.14 -0.04 3.95 4.08 2yv4A1 SER 288 HB3 0.02 0.10 -0.13 -0.04 3.93 3.88 2yv4A1 VAL 289 H -0.01 0.24 0.15 -0.55 8.24 8.07 2yv4A1 VAL 289 HA -0.02 0.15 0.38 -0.75 4.13 3.88 2yv4A1 VAL 289 HB -0.01 -0.06 0.15 -0.04 2.12 2.15 2yv4A1 VAL 289 HG13 -0.02 0.03 -0.10 -0.04 0.97 0.83 2yv4A1 VAL 289 HG23 -0.01 0.06 0.03 -0.04 0.95 0.99 2yv4A1 GLU 290 H -0.01 0.06 -0.11 -0.55 8.60 7.99 2yv4A1 GLU 290 HA -0.02 0.15 0.36 -0.75 4.29 4.02 2yv4A1 GLU 290 HB2 -0.01 0.04 0.07 -0.04 2.09 2.16 2yv4A1 GLU 290 HB3 -0.01 -0.09 0.05 -0.04 1.99 1.91 2yv4A1 GLU 290 HG2 -0.01 0.01 -0.32 -0.04 2.34 1.98 2yv4A1 GLU 290 HG3 -0.01 0.05 -0.01 -0.04 2.34 2.33 2yv4A1 GLU 291 H -0.02 -0.03 -0.33 -0.55 8.60 7.68 2yv4A1 GLU 291 HA -0.02 0.10 0.45 -0.75 4.29 4.07 2yv4A1 GLU 291 HB2 -0.04 -0.14 0.15 -0.04 2.09 2.01 2yv4A1 GLU 291 HB3 -0.06 0.10 0.08 -0.04 1.99 2.07 2yv4A1 GLU 291 HG2 0.02 0.11 0.03 -0.04 2.34 2.46 2yv4A1 GLU 291 HG3 0.01 -0.05 0.01 -0.04 2.34 2.28 2yv4A1 VAL 292 H -0.05 0.41 -0.18 -0.55 8.24 7.87 2yv4A1 VAL 292 HA -0.08 0.21 0.43 -0.75 4.13 3.94 2yv4A1 VAL 292 HB -0.04 0.10 0.15 -0.04 2.12 2.28 2yv4A1 VAL 292 HG13 -0.04 0.01 -0.32 -0.04 0.97 0.58 2yv4A1 VAL 292 HG23 -0.06 0.01 -0.09 -0.04 0.95 0.76 2yv4A1 ALA 293 H -0.04 0.45 -0.08 -0.55 8.40 8.18 2yv4A1 ALA 293 HA -0.08 0.07 0.36 -0.75 4.34 3.93 2yv4A1 ALA 293 HB3 -0.06 0.01 0.08 -0.04 1.41 1.41 2yv4A1 LYS 294 H -0.04 0.22 -0.49 -0.55 8.42 7.55 2yv4A1 LYS 294 HA -0.05 0.10 0.62 -0.75 4.32 4.24 2yv4A1 LYS 294 HB2 -0.02 -0.01 0.08 -0.04 1.87 1.89 2yv4A1 LYS 294 HB3 -0.01 0.02 0.17 -0.04 1.79 1.92 2yv4A1 LYS 294 HG2 0.01 0.02 -0.16 -0.04 1.46 1.29 2yv4A1 LYS 294 HG3 -0.01 -0.01 0.05 -0.04 1.46 1.45 2yv4A1 LYS 294 HD2 0.00 -0.03 -0.02 -0.04 1.69 1.59 2yv4A1 LYS 294 HD3 0.02 -0.04 -0.03 -0.04 1.68 1.58 2yv4A1 LYS 294 HE2 0.03 0.02 -0.03 -0.04 2.99 2.96 2yv4A1 LYS 294 HE3 0.01 0.01 -0.01 -0.04 2.99 2.96 2yv4A1 ASN 295 H -0.02 0.67 0.14 -0.55 8.53 8.77 2yv4A1 ASN 295 HA 0.04 0.11 0.85 -0.75 4.76 5.01 2yv4A1 ASN 295 HB2 -0.02 0.21 0.09 -0.04 2.88 3.13 2yv4A1 ASN 295 HB3 0.17 -0.04 0.06 -0.04 2.79 2.93 2yv4A1 ASN 295 HD21 -0.00 -0.22 -0.03 -0.04 7.03 6.73 2yv4A1 ASN 295 HD22 -0.12 0.26 -0.20 -0.04 7.74 7.64 2yv4A1 LEU 296 H -0.02 0.66 0.08 -0.55 8.37 8.55 2yv4A1 LEU 296 HA -0.04 -0.01 0.34 -0.75 4.35 3.88 2yv4A1 LEU 296 HB2 0.01 0.09 0.12 -0.04 1.64 1.82 2yv4A1 LEU 296 HB3 0.12 0.02 0.08 -0.04 1.64 1.82 2yv4A1 LEU 296 HG 0.15 0.02 -0.27 -0.04 1.64 1.49 2yv4A1 LEU 296 HD13 -0.04 -0.03 -0.01 -0.04 0.93 0.81 2yv4A1 LEU 296 HD23 0.05 0.00 -0.11 -0.04 0.89 0.80 2yv4A1 PHE 297 H 0.26 0.24 -0.12 -0.55 8.34 8.17 2yv4A1 PHE 297 HA -0.09 0.09 0.42 -0.75 4.62 4.29 2yv4A1 PHE 297 HB2 -0.05 0.02 0.06 -0.04 3.15 3.15 2yv4A1 PHE 297 HB3 -0.05 0.01 -0.03 -0.04 3.06 2.96 2yv4A1 PHE 297 HD2 -0.05 -0.12 -0.06 -0.04 7.28 7.01 2yv4A1 PHE 297 HE2 -0.03 0.05 -0.03 -0.04 7.38 7.33 2yv4A1 PHE 297 HZ -0.01 0.08 0.07 -0.04 7.32 7.42 2yv4A1 LYS 298 H 0.02 0.19 -0.33 -0.55 8.42 7.75 2yv4A1 LYS 298 HA -0.03 0.04 0.44 -0.75 4.32 4.02 2yv4A1 LYS 298 HB2 0.03 0.01 0.12 -0.04 1.87 1.98 2yv4A1 LYS 298 HB3 -0.03 0.16 0.16 -0.04 1.79 2.04 2yv4A1 LYS 298 HG2 0.06 -0.01 -0.17 -0.04 1.46 1.30 2yv4A1 LYS 298 HG3 0.06 -0.03 0.05 -0.04 1.46 1.49 2yv4A1 LYS 298 HD2 0.09 0.00 0.02 -0.04 1.69 1.76 2yv4A1 LYS 298 HD3 0.19 0.00 0.01 -0.04 1.68 1.84 2yv4A1 LYS 298 HE2 0.13 -0.04 -0.01 -0.04 2.99 3.03 2yv4A1 LYS 298 HE3 0.31 -0.02 -0.02 -0.04 2.99 3.22 2yv4A1 ALA 299 H -0.33 0.61 -0.16 -0.55 8.40 7.97 2yv4A1 ALA 299 HA -1.82 -0.05 0.38 -0.75 4.34 2.10 2yv4A1 ALA 299 HB3 -0.43 0.04 0.01 -0.04 1.41 0.98 2yv4A1 LEU 300 H -0.19 0.56 -0.05 -0.55 8.37 8.15 2yv4A1 LEU 300 HA -0.12 -0.00 0.35 -0.75 4.35 3.82 2yv4A1 LEU 300 HB2 -0.23 0.06 0.10 -0.04 1.64 1.53 2yv4A1 LEU 300 HB3 -0.19 -0.01 -0.01 -0.04 1.64 1.39 2yv4A1 LEU 300 HG -0.13 0.06 -0.02 -0.04 1.64 1.51 2yv4A1 LEU 300 HD13 -0.29 -0.01 -0.11 -0.04 0.93 0.48 2yv4A1 LEU 300 HD23 -0.10 -0.02 -0.08 -0.04 0.89 0.65 2yv4A1 ARG 301 H -0.12 0.44 -0.32 -0.55 8.46 7.91 2yv4A1 ARG 301 HA -0.07 0.03 0.43 -0.75 4.34 3.97 2yv4A1 ARG 301 HB2 -0.03 0.08 0.12 -0.04 1.90 2.03 2yv4A1 ARG 301 HB3 -0.02 -0.09 0.01 -0.04 1.80 1.66 2yv4A1 ARG 301 HG2 -0.06 -0.02 -0.00 -0.04 1.67 1.55 2yv4A1 ARG 301 HG3 -0.05 0.40 0.09 -0.04 1.67 2.08 2yv4A1 ARG 301 HD2 0.01 -0.05 -0.02 -0.04 3.22 3.12 2yv4A1 ARG 301 HD3 0.00 -0.04 -0.02 -0.04 3.22 3.12 2yv4A1 TYR 302 H -0.05 0.39 -0.33 -0.55 8.29 7.76 2yv4A1 TYR 302 HA -0.01 -0.03 0.25 -0.75 4.56 4.02 2yv4A1 TYR 302 HB2 -0.05 -0.01 0.10 -0.04 3.06 3.06 2yv4A1 TYR 302 HB3 -0.22 0.30 0.17 -0.04 2.98 3.18 2yv4A1 TYR 302 HD2 0.12 0.03 -0.02 -0.04 7.15 7.23 2yv4A1 TYR 302 HE2 0.10 -0.07 -0.01 -0.04 6.85 6.83 2yv4A1 ASP 304 HA -0.06 -0.08 0.34 -0.75 4.63 4.08 2yv4A1 ASP 304 HB2 -0.07 0.12 0.14 -0.04 2.71 2.86 2yv4A1 ASP 304 HB3 -0.05 -0.03 0.01 -0.04 2.70 2.59 2yv4A1 LYS 305 H -0.11 0.71 -0.75 -0.55 8.42 7.72 2yv4A1 LYS 305 HA -0.07 -0.02 0.43 -0.75 4.32 3.90 2yv4A1 LYS 305 HB2 -0.07 0.03 0.09 -0.04 1.87 1.88 2yv4A1 LYS 305 HB3 -0.19 0.13 0.13 -0.04 1.79 1.81 2yv4A1 LYS 305 HG2 -0.10 -0.02 -0.07 -0.04 1.46 1.22 2yv4A1 LYS 305 HG3 -0.05 -0.05 0.07 -0.04 1.46 1.39 2yv4A1 LYS 305 HD2 -0.01 -0.00 -0.02 -0.04 1.69 1.62 2yv4A1 LYS 305 HD3 -0.05 -0.00 -0.02 -0.04 1.68 1.57 2yv4A1 LYS 305 HE2 -0.01 -0.02 0.00 -0.04 2.99 2.92 2yv4A1 LYS 305 HE3 0.02 -0.05 -0.01 -0.04 2.99 2.91 2yv4A1 ALA 306 H -0.21 0.42 0.23 -0.55 8.40 8.29 2yv4A1 ALA 306 HA -0.14 0.09 0.59 -0.75 4.34 4.12 2yv4A1 ALA 306 HB3 -0.24 -0.02 -0.01 -0.04 1.41 1.10 2yv4A1 GLY 307 H -0.07 0.49 -0.49 -0.55 8.43 7.81 2yv4A1 GLY 307 HA2 -0.04 0.09 0.26 -0.51 4.01 3.81 2yv4A1 GLY 307 HA3 -0.03 0.01 0.35 -0.51 4.01 3.83 2yv4A1 VAL 308 H -0.04 0.03 -0.36 -0.55 8.24 7.32 2yv4A1 VAL 308 HA 0.00 0.01 0.31 -0.75 4.13 3.70 2yv4A1 VAL 308 HB -0.00 0.03 -0.16 -0.04 2.12 1.95 2yv4A1 VAL 308 HG13 0.02 -0.01 -0.29 -0.04 0.97 0.65 2yv4A1 VAL 308 HG23 0.02 -0.03 -0.32 -0.04 0.95 0.59 2yv4A1 ASP 309 H 0.01 0.34 0.32 -0.55 8.40 8.52 2yv4A1 ASP 309 HA -0.00 0.14 0.60 -0.75 4.63 4.61 2yv4A1 ASP 309 HB2 0.01 -0.01 0.19 -0.04 2.71 2.86 2yv4A1 ASP 309 HB3 0.00 -0.02 0.08 -0.04 2.70 2.72 2yv4A1 VAL 310 H 0.01 0.38 0.18 -0.55 8.24 8.26 2yv4A1 VAL 310 HA 0.01 0.26 0.92 -0.75 4.13 4.57 2yv4A1 VAL 310 HB 0.02 -0.07 -0.02 -0.04 2.12 2.00 2yv4A1 VAL 310 HG13 0.02 -0.00 -0.24 -0.04 0.97 0.70 2yv4A1 VAL 310 HG23 0.01 -0.01 -0.22 -0.04 0.95 0.68 2yv4A1 VAL 311 H 0.01 0.91 0.25 -0.55 8.24 8.85 2yv4A1 VAL 311 HA 0.03 0.15 0.98 -0.75 4.13 4.55 2yv4A1 VAL 311 HB -0.01 0.06 0.03 -0.04 2.12 2.15 2yv4A1 VAL 311 HG13 -0.00 -0.03 -0.34 -0.04 0.97 0.56 2yv4A1 VAL 311 HG23 -0.01 -0.00 -0.25 -0.04 0.95 0.66 2yv4A1 ILE 312 H 0.05 0.75 0.36 -0.55 8.25 8.86 2yv4A1 ILE 312 HA 0.02 0.30 1.02 -0.75 4.18 4.76 2yv4A1 ILE 312 HB 0.06 -0.03 0.18 -0.04 1.89 2.06 2yv4A1 ILE 312 HG12 0.02 0.02 -0.12 -0.04 1.49 1.37 2yv4A1 ILE 312 HG13 0.03 0.01 -0.21 -0.04 1.21 1.01 2yv4A1 ILE 312 HG23 0.00 -0.03 -0.17 -0.04 0.93 0.69 2yv4A1 ILE 312 HD13 0.02 -0.01 -0.13 -0.04 0.88 0.71 2yv4A1 ALA 313 H -0.00 0.74 0.34 -0.55 8.40 8.93 2yv4A1 ALA 313 HA 0.02 0.20 1.02 -0.75 4.34 4.83 2yv4A1 ALA 313 HB3 -0.05 0.01 0.02 -0.04 1.41 1.34 2yv4A1 GLU 314 H 0.06 0.66 0.35 -0.55 8.60 9.12 2yv4A1 GLU 314 HA 0.02 0.04 0.57 -0.75 4.29 4.16 2yv4A1 GLU 314 HB2 0.16 0.04 0.19 -0.04 2.09 2.44 2yv4A1 GLU 314 HB3 0.10 -0.01 0.32 -0.04 1.99 2.36 2yv4A1 GLU 314 HG2 0.08 -0.08 -0.10 -0.04 2.34 2.20 2yv4A1 GLU 314 HG3 0.07 0.05 -0.00 -0.04 2.34 2.42 2yv4A1 GLY 315 H 0.01 0.71 0.28 -0.55 8.43 8.88 2yv4A1 GLY 315 HA2 -0.00 0.18 0.81 -0.51 4.01 4.49 2yv4A1 GLY 315 HA3 -0.00 0.06 0.29 -0.51 4.01 3.84 2yv4A1 VAL 316 H 0.02 0.17 -0.08 -0.55 8.24 7.80 2yv4A1 VAL 316 HA 0.02 0.29 0.59 -0.75 4.13 4.28 2yv4A1 VAL 316 HB 0.03 -0.22 0.17 -0.04 2.12 2.06 2yv4A1 VAL 316 HG13 0.05 0.02 -0.01 -0.04 0.97 1.00 2yv4A1 VAL 316 HG23 0.03 0.05 -0.05 -0.04 0.95 0.94 2yv4A1 GLU 317 H 0.02 0.35 0.23 -0.55 8.60 8.65 2yv4A1 GLU 317 HA 0.01 0.11 0.47 -0.75 4.29 4.13 2yv4A1 GLU 317 HB2 0.01 -0.12 0.07 -0.04 2.09 2.01 2yv4A1 GLU 317 HB3 0.01 0.06 0.02 -0.04 1.99 2.04 2yv4A1 GLU 317 HG2 0.01 0.10 -0.01 -0.04 2.34 2.40 2yv4A1 GLU 317 HG3 0.01 -0.00 -0.32 -0.04 2.34 1.99 2yv4A1 GLU 318 H 0.02 -0.06 0.03 -0.55 8.60 8.05 2yv4A1 GLU 318 HA 0.01 0.06 0.42 -0.75 4.29 4.03 2yv4A1 GLU 318 HB2 0.02 -0.04 0.12 -0.04 2.09 2.15 2yv4A1 GLU 318 HB3 0.02 0.12 0.02 -0.04 1.99 2.10 2yv4A1 GLU 318 HG2 0.02 0.09 0.09 -0.04 2.34 2.50 2yv4A1 GLU 318 HG3 0.02 0.07 0.11 -0.04 2.34 2.49 2yv4A1 ARG 319 H 0.01 0.14 0.22 -0.55 8.46 8.28 2yv4A1 ARG 319 HA 0.01 0.05 0.38 -0.75 4.34 4.02 2yv4A1 ARG 319 HB2 0.02 0.15 -0.14 -0.04 1.90 1.89 2yv4A1 ARG 319 HB3 0.01 -0.01 0.23 -0.04 1.80 1.99 2yv4A1 ARG 319 HG2 0.01 0.02 0.09 -0.04 1.67 1.76 2yv4A1 ARG 319 HG3 0.02 -0.11 -0.08 -0.04 1.67 1.46 2yv4A1 ARG 319 HD2 0.03 0.03 0.00 -0.04 3.22 3.24 2yv4A1 ARG 319 HD3 0.02 0.05 0.09 -0.04 3.22 3.34 2yv4A1 GLY 320 H 0.01 0.38 -0.30 -0.55 8.43 7.97 2yv4A1 GLY 320 HA2 0.00 0.04 0.30 -0.51 4.01 3.84 2yv4A1 GLY 320 HA3 0.00 0.05 0.34 -0.51 4.01 3.89 2yv4A1 LEU 321 H 0.01 0.34 -0.42 -0.55 8.37 7.75 2yv4A1 LEU 321 HA -0.01 0.05 0.29 -0.75 4.35 3.92 2yv4A1 LEU 321 HB2 0.01 -0.05 0.03 -0.04 1.64 1.59 2yv4A1 LEU 321 HB3 -0.01 0.06 -0.06 -0.04 1.64 1.59 2yv4A1 LEU 321 HG 0.01 0.16 -0.08 -0.04 1.64 1.70 2yv4A1 LEU 321 HD13 0.01 0.00 -0.07 -0.04 0.93 0.83 2yv4A1 LEU 321 HD23 -0.01 0.03 -0.40 -0.04 0.89 0.47 2yv4A1 GLY 322 H 0.00 0.61 -0.16 -0.55 8.43 8.34 2yv4A1 GLY 322 HA2 -0.01 0.05 0.34 -0.51 4.01 3.87 2yv4A1 GLY 322 HA3 0.00 0.10 0.02 -0.51 4.01 3.62 2yv4A1 LEU 323 H 0.00 0.02 -0.33 -0.55 8.37 7.52 2yv4A1 LEU 323 HA 0.01 0.08 0.38 -0.75 4.35 4.07 2yv4A1 LEU 323 HB2 0.01 -0.08 0.06 -0.04 1.64 1.59 2yv4A1 LEU 323 HB3 0.00 0.03 0.08 -0.04 1.64 1.72 2yv4A1 LEU 323 HG 0.00 0.06 -0.25 -0.04 1.64 1.41 2yv4A1 LEU 323 HD13 0.02 0.02 0.04 -0.04 0.93 0.97 2yv4A1 LEU 323 HD23 0.01 -0.02 -0.01 -0.04 0.89 0.82 2yv4A1 ALA 324 H -0.01 0.35 -0.21 -0.55 8.40 7.99 2yv4A1 ALA 324 HA -0.02 0.01 0.38 -0.75 4.34 3.96 2yv4A1 ALA 324 HB3 -0.02 -0.00 0.10 -0.04 1.41 1.44 2yv4A1 VAL 325 H -0.03 0.47 -0.24 -0.55 8.24 7.89 2yv4A1 VAL 325 HA -0.05 -0.02 0.20 -0.75 4.13 3.51 2yv4A1 VAL 325 HB -0.05 0.16 0.10 -0.04 2.12 2.29 2yv4A1 VAL 325 HG13 -0.12 -0.02 -0.04 -0.04 0.97 0.75 2yv4A1 VAL 325 HG23 -0.04 0.06 -0.04 -0.04 0.95 0.90 2yv4A1 ASN 327 HA 0.03 -0.09 0.32 -0.75 4.76 4.26 2yv4A1 ASN 327 HB2 -0.01 0.05 0.12 -0.04 2.88 3.00 2yv4A1 ASN 327 HB3 -0.00 -0.07 -0.05 -0.04 2.79 2.62 2yv4A1 ASN 327 HD21 0.00 -0.09 -0.05 -0.04 7.03 6.85 2yv4A1 ASN 327 HD22 -0.00 -0.06 -0.06 -0.04 7.74 7.57 2yv4A1 ARG 328 H -0.02 0.68 -0.49 -0.55 8.46 8.08 2yv4A1 ARG 328 HA -0.05 -0.03 0.44 -0.75 4.34 3.95 2yv4A1 ARG 328 HB2 -0.06 -0.09 0.06 -0.04 1.90 1.77 2yv4A1 ARG 328 HB3 -0.01 0.11 0.04 -0.04 1.80 1.90 2yv4A1 ARG 328 HG2 -0.07 -0.06 0.00 -0.04 1.67 1.51 2yv4A1 ARG 328 HG3 0.09 0.01 -0.08 -0.04 1.67 1.65 2yv4A1 ARG 328 HD2 -0.34 0.03 0.17 -0.04 3.22 3.03 2yv4A1 ARG 328 HD3 -0.23 -0.05 0.11 -0.04 3.22 3.00 2yv4A1 LEU 329 H 0.00 0.35 0.08 -0.55 8.37 8.26 2yv4A1 LEU 329 HA 0.14 0.12 0.44 -0.75 4.35 4.30 2yv4A1 LEU 329 HB2 -0.22 0.34 0.00 -0.04 1.64 1.72 2yv4A1 LEU 329 HB3 -0.25 -0.07 -0.05 -0.04 1.64 1.23 2yv4A1 LEU 329 HG -0.18 0.00 -0.05 -0.04 1.64 1.38 2yv4A1 LEU 329 HD13 -0.03 0.01 -0.10 -0.04 0.93 0.77 2yv4A1 LEU 329 HD23 -0.65 -0.03 -0.09 -0.04 0.89 0.08 2yv4A1 SER 333 HA 0.01 -0.06 0.27 -0.75 4.49 3.96 2yv4A1 SER 333 HB2 -0.00 0.06 -0.05 -0.04 3.95 3.92 2yv4A1 SER 333 HB3 0.01 -0.02 -0.10 -0.04 3.93 3.78 2yv4A1 GLY 334 H 0.07 0.13 0.19 -0.55 8.43 8.28 2yv4A1 GLY 334 HA2 -0.06 -0.11 0.40 -0.51 4.01 3.73 2yv4A1 GLY 334 HA3 -0.00 0.18 0.88 -0.51 4.01 4.56 2yv4A1 TYR 335 H -0.23 0.21 0.21 -0.55 8.29 7.93 2yv4A1 TYR 335 HA -0.01 0.16 0.66 -0.75 4.56 4.61 2yv4A1 TYR 335 HB2 -0.01 -0.00 0.01 -0.04 3.06 3.02 2yv4A1 TYR 335 HB3 -0.01 0.15 -0.12 -0.04 2.98 2.96 2yv4A1 TYR 335 HD2 0.00 0.10 -0.31 -0.04 7.15 6.90 2yv4A1 TYR 335 HE2 0.01 -0.00 -0.12 -0.04 6.85 6.69 2yv4A1 LYS 336 H 0.14 0.72 0.41 -0.55 8.42 9.14 2yv4A1 LYS 336 HA 0.01 0.12 0.85 -0.75 4.32 4.55 2yv4A1 LYS 336 HB2 0.03 0.03 0.07 -0.04 1.87 1.96 2yv4A1 LYS 336 HB3 0.05 0.00 0.16 -0.04 1.79 1.97 2yv4A1 LYS 336 HG2 0.03 -0.02 -0.28 -0.04 1.46 1.15 2yv4A1 LYS 336 HG3 0.01 0.00 0.04 -0.04 1.46 1.48 2yv4A1 LYS 336 HD2 0.01 0.03 -0.04 -0.04 1.69 1.65 2yv4A1 LYS 336 HD3 0.02 -0.03 -0.10 -0.04 1.68 1.52 2yv4A1 LYS 336 HE2 0.01 -0.02 -0.10 -0.04 2.99 2.84 2yv4A1 LYS 336 HE3 0.01 0.01 -0.03 -0.04 2.99 2.93 2yv4A1 ILE 337 H 0.03 0.21 0.19 -0.55 8.25 8.14 2yv4A1 ILE 337 HA 0.11 0.28 1.09 -0.75 4.18 4.91 2yv4A1 ILE 337 HB 0.04 -0.03 0.13 -0.04 1.89 1.99 2yv4A1 ILE 337 HG12 0.31 0.05 -0.12 -0.04 1.49 1.69 2yv4A1 ILE 337 HG13 0.13 0.01 -0.32 -0.04 1.21 0.99 2yv4A1 ILE 337 HG23 0.06 -0.02 -0.17 -0.04 0.93 0.76 2yv4A1 ILE 337 HD13 0.12 -0.00 -0.06 -0.04 0.88 0.89 2yv4A1 VAL 338 H 0.04 0.78 0.30 -0.55 8.24 8.81 2yv4A1 VAL 338 HA 0.01 0.15 0.97 -0.75 4.13 4.52 2yv4A1 VAL 338 HB 0.01 -0.04 0.01 -0.04 2.12 2.05 2yv4A1 VAL 338 HG13 -0.00 0.01 -0.19 -0.04 0.97 0.75 2yv4A1 VAL 338 HG23 0.02 0.01 -0.23 -0.04 0.95 0.70 2yv4A1 LYS 339 H 0.01 0.17 0.13 -0.55 8.42 8.18 2yv4A1 LYS 339 HA 0.01 0.06 0.61 -0.75 4.32 4.24 2yv4A1 LYS 339 HB2 0.01 -0.01 0.08 -0.04 1.87 1.91 2yv4A1 LYS 339 HB3 0.00 -0.01 0.16 -0.04 1.79 1.90 2yv4A1 LYS 339 HG2 0.00 0.25 -0.25 -0.04 1.46 1.42 2yv4A1 LYS 339 HG3 0.01 -0.06 0.01 -0.04 1.46 1.37 2yv4A1 LYS 339 HD2 0.01 -0.02 -0.00 -0.04 1.69 1.63 2yv4A1 LYS 339 HD3 0.00 -0.01 -0.01 -0.04 1.68 1.63 2yv4A1 LYS 339 HE2 0.00 0.05 -0.03 -0.04 2.99 2.97 2yv4A1 LYS 339 HE3 0.00 -0.05 -0.01 -0.04 2.99 2.89 2yv4A1 ALA 340 H 0.00 0.70 0.28 -0.55 8.40 8.83 2yv4A1 ALA 340 HA -0.01 0.12 0.18 -0.75 4.34 3.88 2yv4A1 ALA 340 HB3 -0.01 -0.01 -0.26 -0.04 1.41 1.08