============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. TYR 11 0.840 -42.170 -42.270 -11.577 -99.200 -91.000 PHE 20 1.000 -27.060 -45.893 -5.650 -99.200 -91.000 HIS 29 0.900 -34.974 -56.980 9.332 -99.200 -91.000 PHE 85 1.000 -37.496 -66.057 -3.831 -99.200 -91.000 TYR 89 0.840 -28.624 -56.127 -12.753 -99.200 -91.000 TYR 101 0.840 -24.524 -51.434 -4.770 -99.200 -91.000 TRP 103 1.040 -27.757 -55.740 -3.043 -99.200 -91.000 TRP6 103 1.020 -27.159 -57.269 -1.294 -99.200 -91.000 HIS 104 0.900 -25.761 -60.975 -8.994 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2jv6A8 MET 287 HA 0.01 -0.23 0.30 -0.75 4.52 3.84 2jv6A8 MET 287 HB2 -0.00 0.15 0.07 -0.04 2.15 2.33 2jv6A8 MET 287 HB3 0.00 -0.10 -0.13 -0.04 2.03 1.77 2jv6A8 MET 287 HG2 0.01 0.02 0.07 -0.04 2.63 2.69 2jv6A8 MET 287 HG3 0.00 -0.01 0.01 -0.04 2.56 2.52 2jv6A8 MET 287 HE3 0.01 0.01 0.03 -0.04 2.10 2.11 2jv6A8 SER 288 H 0.02 0.00 0.17 -0.55 8.46 8.11 2jv6A8 SER 288 HA 0.03 0.34 0.89 -0.75 4.49 5.00 2jv6A8 SER 288 HB2 0.03 0.05 0.19 -0.04 3.95 4.18 2jv6A8 SER 288 HB3 0.03 -0.00 0.06 -0.04 3.93 3.97 2jv6A8 ALA 289 H 0.01 0.04 0.09 -0.55 8.40 8.00 2jv6A8 ALA 289 HA 0.02 0.08 0.22 -0.75 4.34 3.90 2jv6A8 ALA 289 HB3 0.01 0.00 0.12 -0.04 1.41 1.51 2jv6A8 LEU 290 H 0.02 0.47 -0.70 -0.55 8.37 7.62 2jv6A8 LEU 290 HA 0.02 0.13 0.79 -0.75 4.35 4.54 2jv6A8 LEU 290 HB2 0.01 0.05 -0.10 -0.04 1.64 1.57 2jv6A8 LEU 290 HB3 0.01 -0.08 -0.03 -0.04 1.64 1.50 2jv6A8 LEU 290 HG 0.01 0.06 -0.00 -0.04 1.64 1.66 2jv6A8 LEU 290 HD13 0.01 -0.01 -0.28 -0.04 0.93 0.60 2jv6A8 LEU 290 HD23 -0.00 0.00 -0.03 -0.04 0.89 0.82 2jv6A8 THR 291 H 0.03 0.16 0.11 -0.55 8.28 8.03 2jv6A8 THR 291 HA 0.05 0.05 0.27 -0.75 4.39 4.01 2jv6A8 THR 291 HB 0.06 0.23 0.11 -0.04 4.32 4.67 2jv6A8 THR 291 HG23 0.02 0.01 0.08 -0.04 1.22 1.29 2jv6A8 LEU 292 H 0.04 0.07 0.01 -0.55 8.37 7.94 2jv6A8 LEU 292 HA 0.09 0.08 0.24 -0.75 4.35 4.00 2jv6A8 LEU 292 HB2 -0.02 -0.02 0.10 -0.04 1.64 1.65 2jv6A8 LEU 292 HB3 -0.03 -0.01 0.03 -0.04 1.64 1.59 2jv6A8 LEU 292 HG -0.16 0.09 0.03 -0.04 1.64 1.56 2jv6A8 LEU 292 HD13 -0.38 0.02 -0.03 -0.04 0.93 0.50 2jv6A8 LEU 292 HD23 -0.08 -0.00 0.01 -0.04 0.89 0.78 2jv6A8 LYS 293 H 0.06 0.37 -0.72 -0.55 8.42 7.58 2jv6A8 LYS 293 HA 0.04 0.17 0.77 -0.75 4.32 4.55 2jv6A8 LYS 293 HB2 0.03 -0.10 0.08 -0.04 1.87 1.83 2jv6A8 LYS 293 HB3 0.02 0.23 0.19 -0.04 1.79 2.19 2jv6A8 LYS 293 HG2 0.00 -0.19 -0.14 -0.04 1.46 1.09 2jv6A8 LYS 293 HG3 -0.00 0.09 -0.07 -0.04 1.46 1.44 2jv6A8 LYS 293 HD2 -0.04 -0.09 -0.35 -0.04 1.69 1.17 2jv6A8 LYS 293 HD3 -0.03 -0.14 0.04 -0.04 1.68 1.52 2jv6A8 LYS 293 HE2 0.00 0.05 0.07 -0.04 2.99 3.07 2jv6A8 LYS 293 HE3 -0.02 0.07 0.08 -0.04 2.99 3.08 2jv6A8 GLY 294 H 0.29 0.30 -0.26 -0.55 8.43 8.22 2jv6A8 GLY 294 HA2 0.18 -0.01 0.28 -0.51 4.01 3.95 2jv6A8 GLY 294 HA3 0.09 0.10 0.46 -0.51 4.01 4.15 2jv6A8 THR 295 H 0.09 0.27 -0.64 -0.55 8.28 7.44 2jv6A8 THR 295 HA 0.01 0.03 0.40 -0.75 4.39 4.07 2jv6A8 THR 295 HB 0.05 0.00 -0.23 -0.04 4.32 4.10 2jv6A8 THR 295 HG23 0.01 -0.04 -0.17 -0.04 1.22 0.98 2jv6A8 SER 296 H 0.09 0.72 0.05 -0.55 8.46 8.77 2jv6A8 SER 296 HA -0.14 0.04 0.29 -0.75 4.49 3.93 2jv6A8 SER 296 HB2 0.01 -0.11 -0.08 -0.04 3.95 3.73 2jv6A8 SER 296 HB3 -0.02 -0.06 -0.09 -0.04 3.93 3.72 2jv6A8 TYR 297 H -0.38 0.32 0.08 -0.55 8.29 7.76 2jv6A8 TYR 297 HA -0.00 0.04 0.31 -0.75 4.56 4.15 2jv6A8 TYR 297 HB2 -0.00 0.06 -0.03 -0.04 3.06 3.04 2jv6A8 TYR 297 HB3 -0.00 0.07 -0.04 -0.04 2.98 2.96 2jv6A8 TYR 297 HD2 -0.00 0.05 -0.49 -0.04 7.15 6.67 2jv6A8 TYR 297 HE2 -0.00 -0.11 -0.10 -0.04 6.85 6.60 2jv6A8 LYS 298 H 0.12 0.13 0.09 -0.55 8.42 8.21 2jv6A8 LYS 298 HA 0.01 0.09 0.74 -0.75 4.32 4.40 2jv6A8 LYS 298 HB2 0.02 -0.00 0.08 -0.04 1.87 1.93 2jv6A8 LYS 298 HB3 0.05 -0.11 0.18 -0.04 1.79 1.86 2jv6A8 LYS 298 HG2 0.02 -0.06 -0.08 -0.04 1.46 1.30 2jv6A8 LYS 298 HG3 0.03 0.17 -0.04 -0.04 1.46 1.58 2jv6A8 LYS 298 HD2 0.00 -0.08 0.06 -0.04 1.69 1.63 2jv6A8 LYS 298 HD3 0.01 -0.03 0.02 -0.04 1.68 1.63 2jv6A8 LYS 298 HE2 0.02 -0.01 0.04 -0.04 2.99 2.99 2jv6A8 LYS 298 HE3 0.00 -0.10 0.05 -0.04 2.99 2.90 2jv6A8 MET 299 H 0.02 0.19 0.17 -0.55 8.47 8.30 2jv6A8 MET 299 HA 0.27 0.08 0.34 -0.75 4.52 4.45 2jv6A8 MET 299 HB2 0.10 0.07 -0.07 -0.04 2.15 2.21 2jv6A8 MET 299 HB3 0.04 0.06 0.06 -0.04 2.03 2.15 2jv6A8 MET 299 HG2 -0.01 -0.04 0.12 -0.04 2.63 2.65 2jv6A8 MET 299 HG3 0.02 -0.03 -0.16 -0.04 2.56 2.35 2jv6A8 MET 299 HE3 -0.02 -0.01 -0.00 -0.04 2.10 2.02 2jv6A8 CYS 300 H 0.08 0.18 0.15 -0.55 8.50 8.36 2jv6A8 CYS 300 HA 0.02 0.12 0.70 -0.75 4.58 4.67 2jv6A8 CYS 300 HB2 0.00 0.03 -0.03 -0.04 2.97 2.93 2jv6A8 CYS 300 HB3 0.00 -0.02 0.02 -0.04 2.97 2.93 2jv6A8 THR 301 H 0.01 0.08 0.10 -0.55 8.28 7.92 2jv6A8 THR 301 HA 0.01 0.39 0.71 -0.75 4.39 4.74 2jv6A8 THR 301 HB 0.01 -0.08 0.11 -0.04 4.32 4.31 2jv6A8 THR 301 HG23 0.02 -0.00 -0.41 -0.04 1.22 0.78 2jv6A8 ASP 302 H -0.00 -0.02 0.13 -0.55 8.40 7.96 2jv6A8 ASP 302 HA -0.00 0.08 0.71 -0.75 4.63 4.67 2jv6A8 ASP 302 HB2 -0.00 0.08 0.19 -0.04 2.71 2.93 2jv6A8 ASP 302 HB3 -0.01 0.01 0.12 -0.04 2.70 2.79 2jv6A8 LYS 303 H -0.01 0.04 0.14 -0.55 8.42 8.04 2jv6A8 LYS 303 HA -0.02 0.08 0.38 -0.75 4.32 4.01 2jv6A8 LYS 303 HB2 -0.01 -0.09 0.20 -0.04 1.87 1.93 2jv6A8 LYS 303 HB3 -0.01 0.10 0.08 -0.04 1.79 1.92 2jv6A8 LYS 303 HG2 -0.00 -0.01 0.04 -0.04 1.46 1.44 2jv6A8 LYS 303 HG3 -0.01 0.09 0.04 -0.04 1.46 1.54 2jv6A8 LYS 303 HD2 -0.01 -0.06 0.10 -0.04 1.69 1.68 2jv6A8 LYS 303 HD3 -0.00 -0.03 0.07 -0.04 1.68 1.68 2jv6A8 LYS 303 HE2 -0.00 -0.03 0.01 -0.04 2.99 2.93 2jv6A8 LYS 303 HE3 -0.00 0.03 -0.01 -0.04 2.99 2.96 2jv6A8 MET 304 H -0.04 0.27 0.35 -0.55 8.47 8.50 2jv6A8 MET 304 HA -0.06 0.17 0.71 -0.75 4.52 4.59 2jv6A8 MET 304 HB2 -0.09 0.13 0.11 -0.04 2.15 2.26 2jv6A8 MET 304 HB3 -0.13 -0.07 0.06 -0.04 2.03 1.84 2jv6A8 MET 304 HG2 -0.06 0.08 -0.02 -0.04 2.63 2.60 2jv6A8 MET 304 HG3 -0.04 0.03 -0.04 -0.04 2.56 2.48 2jv6A8 MET 304 HE3 -0.02 -0.00 -0.14 -0.04 2.10 1.90 2jv6A8 SER 305 H -0.11 0.51 0.34 -0.55 8.46 8.66 2jv6A8 SER 305 HA -0.25 0.05 0.32 -0.75 4.49 3.86 2jv6A8 SER 305 HB2 -0.02 -0.03 -0.11 -0.04 3.95 3.75 2jv6A8 SER 305 HB3 0.03 0.04 0.07 -0.04 3.93 4.02 2jv6A8 PHE 306 H -0.08 0.15 0.14 -0.55 8.34 7.99 2jv6A8 PHE 306 HA -0.01 0.18 0.92 -0.75 4.62 4.96 2jv6A8 PHE 306 HB2 -0.01 -0.04 -0.10 -0.04 3.15 2.96 2jv6A8 PHE 306 HB3 -0.04 0.16 -0.15 -0.04 3.06 2.98 2jv6A8 PHE 306 HD2 0.01 0.02 -0.00 -0.04 7.28 7.27 2jv6A8 PHE 306 HE2 0.08 0.05 -0.11 -0.04 7.38 7.36 2jv6A8 PHE 306 HZ 0.14 -0.01 -0.46 -0.04 7.32 6.94 2jv6A8 VAL 307 H 0.09 0.59 0.15 -0.55 8.24 8.52 2jv6A8 VAL 307 HA 0.06 0.16 0.73 -0.75 4.13 4.32 2jv6A8 VAL 307 HB 0.02 -0.03 -0.09 -0.04 2.12 1.98 2jv6A8 VAL 307 HG13 0.02 -0.00 0.03 -0.04 0.97 0.97 2jv6A8 VAL 307 HG23 0.01 0.01 -0.22 -0.04 0.95 0.70 2jv6A8 LYS 308 H 0.09 0.35 0.14 -0.55 8.42 8.45 2jv6A8 LYS 308 HA -0.01 0.09 0.57 -0.75 4.32 4.21 2jv6A8 LYS 308 HB2 -0.00 0.07 -0.06 -0.04 1.87 1.83 2jv6A8 LYS 308 HB3 -0.00 -0.20 0.14 -0.04 1.79 1.69 2jv6A8 LYS 308 HG2 -0.06 0.31 -0.15 -0.04 1.46 1.51 2jv6A8 LYS 308 HG3 -0.02 -0.02 0.04 -0.04 1.46 1.41 2jv6A8 LYS 308 HD2 -0.03 -0.05 -0.08 -0.04 1.69 1.50 2jv6A8 LYS 308 HD3 -0.04 -0.11 -0.15 -0.04 1.68 1.34 2jv6A8 LYS 308 HE2 -0.03 -0.05 -0.03 -0.04 2.99 2.85 2jv6A8 LYS 308 HE3 -0.05 -0.08 -0.07 -0.04 2.99 2.75 2jv6A8 ASN 309 H -0.12 0.12 0.08 -0.55 8.53 8.06 2jv6A8 ASN 309 HA -0.68 0.07 0.48 -0.75 4.76 3.87 2jv6A8 ASN 309 HB2 -1.31 0.09 0.07 -0.04 2.88 1.69 2jv6A8 ASN 309 HB3 -0.41 -0.02 0.11 -0.04 2.79 2.42 2jv6A8 ASN 309 HD21 0.00 0.03 -0.01 -0.04 7.03 7.01 2jv6A8 ASN 309 HD22 0.02 -0.05 -0.02 -0.04 7.74 7.65 2jv6A8 PRO 310 HA -0.14 0.21 0.17 -0.51 4.44 4.17 2jv6A8 PRO 310 HB2 0.17 -0.00 -0.07 -0.04 2.28 2.34 2jv6A8 PRO 310 HB3 -0.11 -0.01 -0.18 -0.04 2.02 1.68 2jv6A8 PRO 310 HG2 0.03 0.03 -0.01 -0.04 2.03 2.04 2jv6A8 PRO 310 HG3 -0.02 0.06 -0.06 -0.04 2.03 1.96 2jv6A8 PRO 310 HD2 -1.35 0.06 0.17 -0.04 3.68 2.52 2jv6A8 PRO 310 HD3 -0.70 0.13 0.18 -0.04 3.65 3.23 2jv6A8 THR 311 H -0.16 0.47 0.31 -0.55 8.28 8.36 2jv6A8 THR 311 HA 0.18 0.09 0.74 -0.75 4.39 4.65 2jv6A8 THR 311 HB 0.04 0.03 0.01 -0.04 4.32 4.35 2jv6A8 THR 311 HG23 0.11 0.04 -0.09 -0.04 1.22 1.24 2jv6A8 ASP 312 H -1.13 0.16 0.14 -0.55 8.40 7.02 2jv6A8 ASP 312 HA -0.53 0.19 0.75 -0.75 4.63 4.28 2jv6A8 ASP 312 HB2 -1.13 0.05 0.14 -0.04 2.71 1.72 2jv6A8 ASP 312 HB3 -0.27 0.03 0.19 -0.04 2.70 2.60 2jv6A8 THR 313 H -0.21 0.72 0.46 -0.55 8.28 8.70 2jv6A8 THR 313 HA -0.10 0.17 0.57 -0.75 4.39 4.28 2jv6A8 THR 313 HB -0.45 0.05 0.12 -0.04 4.32 4.00 2jv6A8 THR 313 HG23 -0.22 0.04 -0.01 -0.04 1.22 0.98 2jv6A8 GLY 314 H -0.05 0.05 -0.22 -0.55 8.43 7.67 2jv6A8 GLY 314 HA2 0.02 0.01 0.31 -0.51 4.01 3.84 2jv6A8 GLY 314 HA3 0.07 0.18 0.56 -0.51 4.01 4.31 2jv6A8 HIS 315 H 0.17 -0.01 -0.52 -0.55 8.41 7.51 2jv6A8 HIS 315 HA -0.03 0.20 0.53 -0.75 4.63 4.57 2jv6A8 HIS 315 HB2 -0.06 -0.07 -0.04 -0.04 3.26 3.05 2jv6A8 HIS 315 HB3 -0.04 0.05 0.08 -0.04 3.20 3.25 2jv6A8 HIS 315 HD2 -0.03 -0.01 -0.02 -0.04 6.97 6.88 2jv6A8 HIS 315 HE1 -0.02 0.02 0.03 -0.04 7.75 7.73 2jv6A8 GLY 316 H 0.00 -0.06 -0.34 -0.55 8.43 7.48 2jv6A8 GLY 316 HA2 -0.06 0.04 0.24 -0.51 4.01 3.71 2jv6A8 GLY 316 HA3 -0.04 0.21 0.71 -0.51 4.01 4.39 2jv6A8 THR 317 H -0.08 -0.13 0.04 -0.55 8.28 7.56 2jv6A8 THR 317 HA -0.13 0.38 0.82 -0.75 4.39 4.70 2jv6A8 THR 317 HB -0.12 0.01 -0.12 -0.04 4.32 4.05 2jv6A8 THR 317 HG23 -0.06 0.05 -0.39 -0.04 1.22 0.79 2jv6A8 VAL 318 H -0.19 0.79 0.31 -0.55 8.24 8.60 2jv6A8 VAL 318 HA -0.39 0.16 0.80 -0.75 4.13 3.95 2jv6A8 VAL 318 HB -0.29 0.02 0.02 -0.04 2.12 1.83 2jv6A8 VAL 318 HG13 -0.91 -0.02 -0.34 -0.04 0.97 -0.35 2jv6A8 VAL 318 HG23 -0.46 0.02 -0.18 -0.04 0.95 0.30 2jv6A8 VAL 319 H -0.23 0.68 0.27 -0.55 8.24 8.41 2jv6A8 VAL 319 HA -0.11 0.25 0.90 -0.75 4.13 4.42 2jv6A8 VAL 319 HB -0.14 -0.10 -0.07 -0.04 2.12 1.76 2jv6A8 VAL 319 HG13 -0.12 0.06 0.03 -0.04 0.97 0.89 2jv6A8 VAL 319 HG23 -0.08 0.01 -0.14 -0.04 0.95 0.69 2jv6A8 MET 320 H -0.05 0.74 0.42 -0.55 8.47 9.04 2jv6A8 MET 320 HA -0.04 0.21 0.64 -0.75 4.52 4.58 2jv6A8 MET 320 HB2 0.11 0.13 0.00 -0.04 2.15 2.35 2jv6A8 MET 320 HB3 -0.02 -0.06 -0.25 -0.04 2.03 1.66 2jv6A8 MET 320 HG2 -0.01 0.03 -0.05 -0.04 2.63 2.56 2jv6A8 MET 320 HG3 0.03 -0.06 -0.14 -0.04 2.56 2.35 2jv6A8 MET 320 HE3 0.02 0.00 -0.19 -0.04 2.10 1.89 2jv6A8 GLN 321 H 0.03 0.49 0.31 -0.55 8.47 8.76 2jv6A8 GLN 321 HA 0.00 0.33 0.97 -0.75 4.36 4.91 2jv6A8 GLN 321 HB2 0.02 -0.15 0.06 -0.04 2.15 2.04 2jv6A8 GLN 321 HB3 0.01 0.05 -0.06 -0.04 2.02 1.98 2jv6A8 GLN 321 HG2 -0.01 -0.03 -0.15 -0.04 2.40 2.17 2jv6A8 GLN 321 HG3 -0.00 0.03 -0.12 -0.04 2.39 2.27 2jv6A8 GLN 321 HE21 -0.00 0.01 -0.12 -0.04 6.97 6.81 2jv6A8 GLN 321 HE22 -0.01 -0.01 -0.13 -0.04 7.69 7.50 2jv6A8 VAL 322 H 0.00 0.71 0.37 -0.55 8.24 8.76 2jv6A8 VAL 322 HA -0.01 0.14 1.07 -0.75 4.13 4.58 2jv6A8 VAL 322 HB -0.09 0.07 -0.04 -0.04 2.12 2.02 2jv6A8 VAL 322 HG13 0.02 -0.02 -0.29 -0.04 0.97 0.64 2jv6A8 VAL 322 HG23 -0.03 0.01 -0.09 -0.04 0.95 0.80 2jv6A8 LYS 323 H -0.06 0.72 0.39 -0.55 8.42 8.91 2jv6A8 LYS 323 HA -0.02 0.24 1.08 -0.75 4.32 4.86 2jv6A8 LYS 323 HB2 -0.01 -0.11 -0.11 -0.04 1.87 1.60 2jv6A8 LYS 323 HB3 -0.02 -0.02 -0.01 -0.04 1.79 1.71 2jv6A8 LYS 323 HG2 -0.02 0.00 -0.34 -0.04 1.46 1.06 2jv6A8 LYS 323 HG3 -0.01 0.23 -0.04 -0.04 1.46 1.60 2jv6A8 LYS 323 HD2 -0.00 -0.10 -0.06 -0.04 1.69 1.49 2jv6A8 LYS 323 HD3 -0.00 -0.07 -0.11 -0.04 1.68 1.46 2jv6A8 LYS 323 HE2 -0.00 -0.12 -0.02 -0.04 2.99 2.81 2jv6A8 LYS 323 HE3 -0.01 0.06 0.00 -0.04 2.99 3.01 2jv6A8 VAL 324 H -0.02 0.76 0.22 -0.55 8.24 8.64 2jv6A8 VAL 324 HA -0.03 0.10 0.68 -0.75 4.13 4.13 2jv6A8 VAL 324 HB -0.02 0.13 0.03 -0.04 2.12 2.23 2jv6A8 VAL 324 HG13 -0.01 -0.03 -0.02 -0.04 0.97 0.86 2jv6A8 VAL 324 HG23 -0.03 -0.01 -0.13 -0.04 0.95 0.74 2jv6A8 PRO 325 HA -0.01 0.17 0.79 -0.51 4.44 4.89 2jv6A8 PRO 325 HB2 -0.01 -0.09 0.03 -0.04 2.28 2.17 2jv6A8 PRO 325 HB3 -0.01 0.04 -0.02 -0.04 2.02 1.99 2jv6A8 PRO 325 HG2 -0.01 -0.04 0.02 -0.04 2.03 1.96 2jv6A8 PRO 325 HG3 -0.01 0.15 -0.13 -0.04 2.03 1.99 2jv6A8 PRO 325 HD2 -0.01 -0.08 0.06 -0.04 3.68 3.61 2jv6A8 PRO 325 HD3 -0.02 0.21 -0.14 -0.04 3.65 3.66 2jv6A8 LYS 326 H -0.01 0.16 0.13 -0.55 8.42 8.15 2jv6A8 LYS 326 HA -0.00 0.10 0.75 -0.75 4.32 4.42 2jv6A8 LYS 326 HB2 -0.00 -0.05 0.12 -0.04 1.87 1.89 2jv6A8 LYS 326 HB3 -0.00 0.08 -0.13 -0.04 1.79 1.70 2jv6A8 LYS 326 HG2 -0.00 -0.02 -0.05 -0.04 1.46 1.35 2jv6A8 LYS 326 HG3 -0.00 0.02 -0.05 -0.04 1.46 1.39 2jv6A8 LYS 326 HD2 -0.00 0.03 -0.05 -0.04 1.69 1.62 2jv6A8 LYS 326 HD3 -0.00 -0.04 -0.08 -0.04 1.68 1.52 2jv6A8 LYS 326 HE2 -0.00 -0.00 -0.01 -0.04 2.99 2.94 2jv6A8 LYS 326 HE3 -0.00 0.03 -0.01 -0.04 2.99 2.97 2jv6A8 GLY 327 H -0.00 0.15 0.11 -0.55 8.43 8.15 2jv6A8 GLY 327 HA2 -0.00 0.03 0.32 -0.51 4.01 3.85 2jv6A8 GLY 327 HA3 -0.00 0.07 0.24 -0.51 4.01 3.81 2jv6A8 ALA 328 H -0.00 0.05 -0.62 -0.55 8.40 7.29 2jv6A8 ALA 328 HA 0.00 0.24 0.64 -0.75 4.34 4.47 2jv6A8 ALA 328 HB3 0.00 -0.01 -0.01 -0.04 1.41 1.35 2jv6A8 PRO 329 HA 0.00 0.37 0.72 -0.51 4.44 5.02 2jv6A8 PRO 329 HB2 0.01 -0.01 -0.00 -0.04 2.28 2.23 2jv6A8 PRO 329 HB3 0.00 0.01 0.09 -0.04 2.02 2.09 2jv6A8 PRO 329 HG2 0.01 0.02 0.14 -0.04 2.03 2.16 2jv6A8 PRO 329 HG3 0.00 0.00 0.05 -0.04 2.03 2.04 2jv6A8 PRO 329 HD2 0.01 0.15 0.31 -0.04 3.68 4.10 2jv6A8 PRO 329 HD3 0.00 0.08 -0.11 -0.04 3.65 3.58 2jv6A8 CYS 330 H 0.01 0.21 0.03 -0.55 8.50 8.20 2jv6A8 CYS 330 HA 0.04 0.14 0.47 -0.75 4.58 4.48 2jv6A8 CYS 330 HB2 0.05 0.12 -0.36 -0.04 2.97 2.74 2jv6A8 CYS 330 HB3 0.03 0.28 -0.77 -0.04 2.97 2.47 2jv6A8 LYS 331 H 0.07 0.72 0.18 -0.55 8.42 8.84 2jv6A8 LYS 331 HA -0.00 0.25 0.87 -0.75 4.32 4.69 2jv6A8 LYS 331 HB2 0.10 -0.12 0.17 -0.04 1.87 1.98 2jv6A8 LYS 331 HB3 -0.00 0.08 0.02 -0.04 1.79 1.85 2jv6A8 LYS 331 HG2 0.04 -0.09 0.02 -0.04 1.46 1.39 2jv6A8 LYS 331 HG3 0.05 -0.04 0.05 -0.04 1.46 1.47 2jv6A8 LYS 331 HD2 0.00 0.10 0.06 -0.04 1.69 1.82 2jv6A8 LYS 331 HD3 0.01 -0.07 -0.03 -0.04 1.68 1.55 2jv6A8 LYS 331 HE2 -0.00 -0.06 -0.03 -0.04 2.99 2.86 2jv6A8 LYS 331 HE3 0.01 -0.09 0.00 -0.04 2.99 2.87 2jv6A8 ILE 332 H -0.03 0.25 -0.07 -0.55 8.25 7.85 2jv6A8 ILE 332 HA -0.03 0.02 -0.07 -0.75 4.18 3.35 2jv6A8 ILE 332 HB -0.04 0.04 -0.09 -0.04 1.89 1.75 2jv6A8 ILE 332 HG12 -0.04 -0.03 -0.12 -0.04 1.49 1.26 2jv6A8 ILE 332 HG13 -0.06 -0.03 -0.02 -0.04 1.21 1.06 2jv6A8 ILE 332 HG23 -0.02 0.01 -0.18 -0.04 0.93 0.70 2jv6A8 ILE 332 HD13 -0.06 0.02 -0.33 -0.04 0.88 0.47 2jv6A8 PRO 333 HA -0.48 0.09 0.37 -0.51 4.44 3.91 2jv6A8 PRO 333 HB2 -0.04 -0.01 0.01 -0.04 2.28 2.20 2jv6A8 PRO 333 HB3 -0.08 0.08 -0.04 -0.04 2.02 1.94 2jv6A8 PRO 333 HG2 0.05 0.04 0.05 -0.04 2.03 2.13 2jv6A8 PRO 333 HG3 0.18 0.02 0.07 -0.04 2.03 2.26 2jv6A8 PRO 333 HD2 -0.03 0.07 0.17 -0.04 3.68 3.85 2jv6A8 PRO 333 HD3 0.01 0.14 0.16 -0.04 3.65 3.91 2jv6A8 VAL 334 H -0.25 0.23 0.19 -0.55 8.24 7.87 2jv6A8 VAL 334 HA -0.06 0.23 0.92 -0.75 4.13 4.46 2jv6A8 VAL 334 HB -0.09 -0.03 0.11 -0.04 2.12 2.07 2jv6A8 VAL 334 HG13 -0.03 -0.01 -0.22 -0.04 0.97 0.67 2jv6A8 VAL 334 HG23 -0.07 0.03 -0.21 -0.04 0.95 0.66 2jv6A8 ILE 335 H -0.01 0.70 0.27 -0.55 8.25 8.66 2jv6A8 ILE 335 HA -0.01 0.19 0.80 -0.75 4.18 4.42 2jv6A8 ILE 335 HB 0.04 -0.10 -0.11 -0.04 1.89 1.69 2jv6A8 ILE 335 HG12 0.02 0.09 -0.14 -0.04 1.49 1.42 2jv6A8 ILE 335 HG13 0.04 0.03 -0.18 -0.04 1.21 1.06 2jv6A8 ILE 335 HG23 0.03 0.03 -0.13 -0.04 0.93 0.82 2jv6A8 ILE 335 HD13 -0.01 0.01 -0.33 -0.04 0.88 0.51 2jv6A8 VAL 336 H 0.02 0.27 0.16 -0.55 8.24 8.14 2jv6A8 VAL 336 HA 0.06 0.23 0.85 -0.75 4.13 4.52 2jv6A8 VAL 336 HB -0.00 -0.23 0.19 -0.04 2.12 2.03 2jv6A8 VAL 336 HG13 -0.01 0.01 -0.15 -0.04 0.97 0.79 2jv6A8 VAL 336 HG23 -0.00 0.03 -0.28 -0.04 0.95 0.66 2jv6A8 ALA 337 H 0.10 0.71 0.32 -0.55 8.40 8.99 2jv6A8 ALA 337 HA 0.06 0.27 0.95 -0.75 4.34 4.86 2jv6A8 ALA 337 HB3 0.10 -0.04 0.05 -0.04 1.41 1.48 2jv6A8 ASP 338 H 0.10 0.22 0.19 -0.55 8.40 8.36 2jv6A8 ASP 338 HA 0.19 0.18 0.67 -0.75 4.63 4.92 2jv6A8 ASP 338 HB2 0.09 -0.03 0.04 -0.04 2.71 2.77 2jv6A8 ASP 338 HB3 0.12 0.04 0.10 -0.04 2.70 2.92 2jv6A8 ASP 339 H 0.15 0.03 0.01 -0.55 8.40 8.04 2jv6A8 ASP 339 HA 0.05 0.28 0.36 -0.75 4.63 4.57 2jv6A8 ASP 339 HB2 0.04 0.12 0.11 -0.04 2.71 2.93 2jv6A8 ASP 339 HB3 0.06 0.07 -0.01 -0.04 2.70 2.78 2jv6A8 LEU 340 H 0.11 0.11 -0.19 -0.55 8.37 7.85 2jv6A8 LEU 340 HA 0.01 0.04 0.22 -0.75 4.35 3.86 2jv6A8 LEU 340 HB2 -0.07 0.16 0.07 -0.04 1.64 1.76 2jv6A8 LEU 340 HB3 -0.08 0.04 0.01 -0.04 1.64 1.57 2jv6A8 LEU 340 HG -0.29 -0.03 -0.37 -0.04 1.64 0.92 2jv6A8 LEU 340 HD13 -0.18 0.01 -0.08 -0.04 0.93 0.64 2jv6A8 LEU 340 HD23 -0.73 -0.01 -0.10 -0.04 0.89 0.01 2jv6A8 THR 341 H 0.02 0.33 -0.95 -0.55 8.28 7.13 2jv6A8 THR 341 HA 0.02 0.25 0.41 -0.75 4.39 4.32 2jv6A8 THR 341 HB 0.01 0.05 -0.01 -0.04 4.32 4.32 2jv6A8 THR 341 HG23 0.02 -0.02 -0.18 -0.04 1.22 1.01 2jv6A8 ALA 342 H 0.06 -0.16 -0.30 -0.55 8.40 7.46 2jv6A8 ALA 342 HA 0.06 -0.10 0.16 -0.75 4.34 3.70 2jv6A8 ALA 342 HB3 0.06 0.06 -0.16 -0.04 1.41 1.33 2jv6A8 ALA 343 H 0.04 -0.18 -0.03 -0.55 8.40 7.69 2jv6A8 ALA 343 HA 0.04 0.26 0.62 -0.75 4.34 4.50 2jv6A8 ALA 343 HB3 0.03 0.00 0.02 -0.04 1.41 1.42 2jv6A8 ILE 344 H 0.05 -0.16 0.10 -0.55 8.25 7.69 2jv6A8 ILE 344 HA 0.04 0.24 0.74 -0.75 4.18 4.44 2jv6A8 ILE 344 HB 0.05 -0.24 0.13 -0.04 1.89 1.79 2jv6A8 ILE 344 HG12 0.04 -0.12 -0.02 -0.04 1.49 1.35 2jv6A8 ILE 344 HG13 0.04 0.03 -0.01 -0.04 1.21 1.22 2jv6A8 ILE 344 HG23 0.03 0.04 -0.13 -0.04 0.93 0.84 2jv6A8 ILE 344 HD13 0.03 0.06 -0.14 -0.04 0.88 0.78 2jv6A8 ASN 345 H 0.03 0.25 0.06 -0.55 8.53 8.33 2jv6A8 ASN 345 HA 0.03 0.13 0.95 -0.75 4.76 5.11 2jv6A8 ASN 345 HB2 0.04 -0.09 -0.11 -0.04 2.88 2.67 2jv6A8 ASN 345 HB3 0.03 0.15 0.03 -0.04 2.79 2.95 2jv6A8 ASN 345 HD21 0.01 0.69 -0.12 -0.04 7.03 7.57 2jv6A8 ASN 345 HD22 -0.00 0.52 -0.13 -0.04 7.74 8.09 2jv6A8 LYS 346 H 0.02 0.69 0.38 -0.55 8.42 8.96 2jv6A8 LYS 346 HA 0.01 0.08 0.64 -0.75 4.32 4.29 2jv6A8 LYS 346 HB2 -0.01 -0.11 0.14 -0.04 1.87 1.85 2jv6A8 LYS 346 HB3 -0.02 0.02 0.03 -0.04 1.79 1.78 2jv6A8 LYS 346 HG2 0.00 0.01 -0.02 -0.04 1.46 1.41 2jv6A8 LYS 346 HG3 0.02 -0.14 -0.04 -0.04 1.46 1.26 2jv6A8 LYS 346 HD2 -0.03 -0.11 -0.26 -0.04 1.69 1.25 2jv6A8 LYS 346 HD3 -0.04 0.11 -0.01 -0.04 1.68 1.70 2jv6A8 LYS 346 HE2 0.01 -0.25 -0.43 -0.04 2.99 2.28 2jv6A8 LYS 346 HE3 -0.11 0.02 -0.24 -0.04 2.99 2.61 2jv6A8 GLY 347 H -0.01 -0.02 0.16 -0.55 8.43 8.02 2jv6A8 GLY 347 HA2 -0.04 0.10 0.19 -0.51 4.01 3.76 2jv6A8 GLY 347 HA3 -0.04 0.10 0.28 -0.51 4.01 3.85 2jv6A8 ILE 348 H -0.04 0.20 0.22 -0.55 8.25 8.09 2jv6A8 ILE 348 HA -0.03 0.18 0.80 -0.75 4.18 4.38 2jv6A8 ILE 348 HB -0.03 -0.02 0.07 -0.04 1.89 1.87 2jv6A8 ILE 348 HG12 -0.01 -0.03 -0.05 -0.04 1.49 1.36 2jv6A8 ILE 348 HG13 -0.01 0.16 -0.35 -0.04 1.21 0.97 2jv6A8 ILE 348 HG23 -0.02 0.00 -0.06 -0.04 0.93 0.81 2jv6A8 ILE 348 HD13 -0.01 -0.02 -0.07 -0.04 0.88 0.74 2jv6A8 LEU 349 H -0.03 0.12 0.14 -0.55 8.37 8.05 2jv6A8 LEU 349 HA -0.05 0.14 0.65 -0.75 4.35 4.34 2jv6A8 LEU 349 HB2 -0.04 -0.09 0.12 -0.04 1.64 1.59 2jv6A8 LEU 349 HB3 -0.04 0.18 -0.06 -0.04 1.64 1.68 2jv6A8 LEU 349 HG -0.05 -0.05 0.00 -0.04 1.64 1.50 2jv6A8 LEU 349 HD13 -0.05 0.05 -0.04 -0.04 0.93 0.84 2jv6A8 LEU 349 HD23 -0.06 0.00 -0.02 -0.04 0.89 0.78 2jv6A8 VAL 350 H -0.05 0.53 0.31 -0.55 8.24 8.48 2jv6A8 VAL 350 HA -0.03 0.17 0.81 -0.75 4.13 4.32 2jv6A8 VAL 350 HB -0.06 -0.10 -0.08 -0.04 2.12 1.84 2jv6A8 VAL 350 HG13 -0.04 0.00 -0.09 -0.04 0.97 0.80 2jv6A8 VAL 350 HG23 -0.06 0.02 -0.29 -0.04 0.95 0.59 2jv6A8 THR 351 H -0.05 0.08 0.24 -0.55 8.28 8.00 2jv6A8 THR 351 HA -0.03 0.12 0.77 -0.75 4.39 4.49 2jv6A8 THR 351 HB -0.05 -0.21 0.20 -0.04 4.32 4.22 2jv6A8 THR 351 HG23 -0.04 0.06 0.01 -0.04 1.22 1.20 2jv6A8 VAL 352 H -0.03 0.05 0.12 -0.55 8.24 7.83 2jv6A8 VAL 352 HA -0.03 0.07 0.30 -0.75 4.13 3.72 2jv6A8 VAL 352 HB -0.02 0.02 0.02 -0.04 2.12 2.10 2jv6A8 VAL 352 HG13 -0.02 0.01 0.04 -0.04 0.97 0.96 2jv6A8 VAL 352 HG23 -0.02 -0.00 -0.04 -0.04 0.95 0.85 2jv6A8 ASN 353 H -0.03 0.15 0.13 -0.55 8.53 8.23 2jv6A8 ASN 353 HA -0.04 0.20 0.81 -0.75 4.76 4.98 2jv6A8 ASN 353 HB2 -0.05 0.04 -0.05 -0.04 2.88 2.77 2jv6A8 ASN 353 HB3 -0.04 -0.08 0.14 -0.04 2.79 2.76 2jv6A8 ASN 353 HD21 -0.07 -0.07 -0.02 -0.04 7.03 6.83 2jv6A8 ASN 353 HD22 -0.10 0.66 0.05 -0.04 7.74 8.30 2jv6A8 PRO 354 HA -0.02 0.09 0.24 -0.51 4.44 4.24 2jv6A8 PRO 354 HB2 -0.01 -0.01 0.01 -0.04 2.28 2.22 2jv6A8 PRO 354 HB3 -0.02 0.04 0.01 -0.04 2.02 2.01 2jv6A8 PRO 354 HG2 -0.02 -0.02 -0.16 -0.04 2.03 1.78 2jv6A8 PRO 354 HG3 -0.02 0.05 -0.11 -0.04 2.03 1.91 2jv6A8 PRO 354 HD2 -0.04 0.13 0.11 -0.04 3.68 3.84 2jv6A8 PRO 354 HD3 -0.03 0.21 0.09 -0.04 3.65 3.88 2jv6A8 ILE 355 H -0.01 0.19 0.15 -0.55 8.25 8.03 2jv6A8 ILE 355 HA -0.00 0.33 0.85 -0.75 4.18 4.60 2jv6A8 ILE 355 HB 0.00 0.06 0.02 -0.04 1.89 1.93 2jv6A8 ILE 355 HG12 0.00 -0.00 -0.08 -0.04 1.49 1.37 2jv6A8 ILE 355 HG13 -0.00 -0.10 -0.15 -0.04 1.21 0.92 2jv6A8 ILE 355 HG23 -0.00 0.01 -0.08 -0.04 0.93 0.82 2jv6A8 ILE 355 HD13 0.01 0.01 -0.32 -0.04 0.88 0.54 2jv6A8 ALA 356 H -0.00 0.74 0.18 -0.55 8.40 8.78 2jv6A8 ALA 356 HA -0.01 0.04 0.56 -0.75 4.34 4.18 2jv6A8 ALA 356 HB3 -0.00 -0.00 0.06 -0.04 1.41 1.43 2jv6A8 SER 357 H -0.00 0.42 0.24 -0.55 8.46 8.58 2jv6A8 SER 357 HA -0.00 0.12 0.68 -0.75 4.49 4.54 2jv6A8 SER 357 HB2 -0.00 0.02 0.08 -0.04 3.95 4.00 2jv6A8 SER 357 HB3 -0.00 0.00 0.07 -0.04 3.93 3.95 2jv6A8 THR 358 H -0.00 0.15 -0.12 -0.55 8.28 7.76 2jv6A8 THR 358 HA -0.00 0.11 0.52 -0.75 4.39 4.27 2jv6A8 THR 358 HB -0.00 -0.03 0.00 -0.04 4.32 4.25 2jv6A8 THR 358 HG23 -0.00 0.03 -0.03 -0.04 1.22 1.17 2jv6A8 ASN 359 H -0.00 0.17 -0.02 -0.55 8.53 8.13 2jv6A8 ASN 359 HA -0.00 0.25 0.11 -0.75 4.76 4.36 2jv6A8 ASN 359 HB2 -0.00 0.16 0.02 -0.04 2.88 3.01 2jv6A8 ASN 359 HB3 -0.00 -0.12 -0.30 -0.04 2.79 2.32 2jv6A8 ASN 359 HD21 -0.00 0.53 -0.43 -0.04 7.03 7.09 2jv6A8 ASN 359 HD22 -0.00 0.03 -0.36 -0.04 7.74 7.37 2jv6A8 ASP 360 H -0.00 -0.08 -0.45 -0.55 8.40 7.32 2jv6A8 ASP 360 HA -0.01 0.29 0.57 -0.75 4.63 4.73 2jv6A8 ASP 360 HB2 -0.00 -0.05 0.09 -0.04 2.71 2.70 2jv6A8 ASP 360 HB3 -0.00 -0.07 -0.03 -0.04 2.70 2.55 2jv6A8 ASP 361 H -0.01 0.29 -0.43 -0.55 8.40 7.71 2jv6A8 ASP 361 HA -0.01 -0.08 0.38 -0.75 4.63 4.16 2jv6A8 ASP 361 HB2 -0.01 0.04 0.14 -0.04 2.71 2.84 2jv6A8 ASP 361 HB3 -0.01 0.01 0.04 -0.04 2.70 2.69 2jv6A8 GLU 362 H -0.01 0.15 0.27 -0.55 8.60 8.46 2jv6A8 GLU 362 HA -0.02 0.31 0.97 -0.75 4.29 4.80 2jv6A8 GLU 362 HB2 -0.01 -0.02 0.03 -0.04 2.09 2.05 2jv6A8 GLU 362 HB3 -0.01 0.11 0.05 -0.04 1.99 2.09 2jv6A8 GLU 362 HG2 -0.01 -0.01 0.09 -0.04 2.34 2.38 2jv6A8 GLU 362 HG3 -0.01 -0.05 -0.08 -0.04 2.34 2.16 2jv6A8 VAL 363 H -0.01 0.72 0.37 -0.55 8.24 8.77 2jv6A8 VAL 363 HA -0.01 0.09 0.89 -0.75 4.13 4.34 2jv6A8 VAL 363 HB -0.02 -0.01 -0.40 -0.04 2.12 1.65 2jv6A8 VAL 363 HG13 -0.03 0.02 -0.14 -0.04 0.97 0.78 2jv6A8 VAL 363 HG23 -0.02 0.04 -0.05 -0.04 0.95 0.88 2jv6A8 LEU 364 H -0.02 0.14 0.20 -0.55 8.37 8.15 2jv6A8 LEU 364 HA -0.02 0.23 0.87 -0.75 4.35 4.67 2jv6A8 LEU 364 HB2 -0.02 -0.02 0.12 -0.04 1.64 1.68 2jv6A8 LEU 364 HB3 -0.03 -0.03 0.19 -0.04 1.64 1.74 2jv6A8 LEU 364 HG -0.03 -0.03 -0.02 -0.04 1.64 1.52 2jv6A8 LEU 364 HD13 -0.05 -0.01 -0.24 -0.04 0.93 0.59 2jv6A8 LEU 364 HD23 -0.04 0.03 -0.07 -0.04 0.89 0.78 2jv6A8 ILE 365 H -0.03 0.77 0.40 -0.55 8.25 8.84 2jv6A8 ILE 365 HA -0.04 0.13 0.75 -0.75 4.18 4.27 2jv6A8 ILE 365 HB -0.03 -0.03 -0.06 -0.04 1.89 1.73 2jv6A8 ILE 365 HG12 -0.03 0.28 -0.10 -0.04 1.49 1.60 2jv6A8 ILE 365 HG13 -0.03 -0.13 -0.64 -0.04 1.21 0.38 2jv6A8 ILE 365 HG23 -0.04 0.04 -0.09 -0.04 0.93 0.80 2jv6A8 ILE 365 HD13 -0.04 -0.02 -0.10 -0.04 0.88 0.68 2jv6A8 GLU 366 H -0.05 0.23 0.23 -0.55 8.60 8.46 2jv6A8 GLU 366 HA -0.09 0.34 0.90 -0.75 4.29 4.68 2jv6A8 GLU 366 HB2 -0.07 -0.26 0.14 -0.04 2.09 1.86 2jv6A8 GLU 366 HB3 -0.09 0.04 -0.13 -0.04 1.99 1.77 2jv6A8 GLU 366 HG2 -0.12 0.02 -0.18 -0.04 2.34 2.02 2jv6A8 GLU 366 HG3 -0.08 -0.02 -0.24 -0.04 2.34 1.96 2jv6A8 VAL 367 H -0.10 0.59 0.30 -0.55 8.24 8.48 2jv6A8 VAL 367 HA -0.06 0.24 0.88 -0.75 4.13 4.42 2jv6A8 VAL 367 HB -0.05 0.07 -0.21 -0.04 2.12 1.88 2jv6A8 VAL 367 HG13 -0.04 0.00 -0.35 -0.04 0.97 0.54 2jv6A8 VAL 367 HG23 -0.06 -0.01 -0.09 -0.04 0.95 0.74 2jv6A8 ASN 368 H -0.07 0.74 0.24 -0.55 8.53 8.90 2jv6A8 ASN 368 HA -0.11 0.22 0.84 -0.75 4.76 4.96 2jv6A8 ASN 368 HB2 -0.07 -0.02 0.08 -0.04 2.88 2.83 2jv6A8 ASN 368 HB3 -0.06 -0.12 0.20 -0.04 2.79 2.76 2jv6A8 ASN 368 HD21 -0.10 0.55 0.24 -0.04 7.03 7.67 2jv6A8 ASN 368 HD22 -0.13 -0.07 0.02 -0.04 7.74 7.52 2jv6A8 PRO 369 HA -0.09 0.08 0.56 -0.51 4.44 4.47 2jv6A8 PRO 369 HB2 -0.10 0.25 -0.09 -0.04 2.28 2.30 2jv6A8 PRO 369 HB3 -0.12 -0.07 -0.06 -0.04 2.02 1.73 2jv6A8 PRO 369 HG2 -0.17 0.03 -0.10 -0.04 2.03 1.76 2jv6A8 PRO 369 HG3 -0.20 -0.10 -0.14 -0.04 2.03 1.56 2jv6A8 PRO 369 HD2 -0.15 0.25 0.11 -0.04 3.68 3.86 2jv6A8 PRO 369 HD3 -0.17 0.10 0.14 -0.04 3.65 3.68 2jv6A8 PRO 370 HA -0.27 0.09 0.62 -0.51 4.44 4.37 2jv6A8 PRO 370 HB2 -0.00 0.08 0.08 -0.04 2.28 2.39 2jv6A8 PRO 370 HB3 -0.05 0.02 0.07 -0.04 2.02 2.03 2jv6A8 PRO 370 HG2 -0.04 0.18 -0.22 -0.04 2.03 1.91 2jv6A8 PRO 370 HG3 -0.03 -0.01 -0.00 -0.04 2.03 1.94 2jv6A8 PRO 370 HD2 -0.07 0.03 0.10 -0.04 3.68 3.70 2jv6A8 PRO 370 HD3 -0.06 0.10 0.07 -0.04 3.65 3.72 2jv6A8 PHE 371 H -0.17 0.07 0.10 -0.55 8.34 7.78 2jv6A8 PHE 371 HA 0.03 0.11 0.63 -0.75 4.62 4.64 2jv6A8 PHE 371 HB2 0.01 -0.02 0.05 -0.04 3.15 3.15 2jv6A8 PHE 371 HB3 0.02 0.01 0.08 -0.04 3.06 3.14 2jv6A8 PHE 371 HD2 0.01 -0.00 0.02 -0.04 7.28 7.27 2jv6A8 PHE 371 HE2 0.01 -0.01 -0.01 -0.04 7.38 7.33 2jv6A8 PHE 371 HZ 0.00 0.00 -0.01 -0.04 7.32 7.27 2jv6A8 GLY 372 H 0.18 0.68 0.33 -0.55 8.43 9.07 2jv6A8 GLY 372 HA2 0.12 -0.01 0.33 -0.51 4.01 3.94 2jv6A8 GLY 372 HA3 0.10 0.06 0.57 -0.51 4.01 4.22 2jv6A8 ASP 373 H 0.06 0.07 0.19 -0.55 8.40 8.17 2jv6A8 ASP 373 HA -0.12 0.09 0.60 -0.75 4.63 4.45 2jv6A8 ASP 373 HB2 0.01 -0.03 0.17 -0.04 2.71 2.83 2jv6A8 ASP 373 HB3 -0.25 0.03 -0.02 -0.04 2.70 2.42 2jv6A8 SER 374 H -0.45 0.62 0.44 -0.55 8.46 8.52 2jv6A8 SER 374 HA -0.33 0.12 0.42 -0.75 4.49 3.95 2jv6A8 SER 374 HB2 -0.04 -0.04 -0.06 -0.04 3.95 3.77 2jv6A8 SER 374 HB3 -0.06 -0.07 -0.08 -0.04 3.93 3.67 2jv6A8 TYR 375 H -0.12 0.58 0.24 -0.55 8.29 8.45 2jv6A8 TYR 375 HA 0.06 0.27 0.97 -0.75 4.56 5.11 2jv6A8 TYR 375 HB2 0.04 -0.17 0.06 -0.04 3.06 2.95 2jv6A8 TYR 375 HB3 0.04 0.03 -0.04 -0.04 2.98 2.97 2jv6A8 TYR 375 HD2 -0.02 -0.11 -0.25 -0.04 7.15 6.73 2jv6A8 TYR 375 HE2 -0.05 0.06 -0.04 -0.04 6.85 6.78 2jv6A8 ILE 376 H 0.26 0.77 0.30 -0.55 8.25 9.03 2jv6A8 ILE 376 HA 0.12 0.07 0.63 -0.75 4.18 4.26 2jv6A8 ILE 376 HB 0.28 -0.04 0.17 -0.04 1.89 2.26 2jv6A8 ILE 376 HG12 0.30 0.12 -0.02 -0.04 1.49 1.84 2jv6A8 ILE 376 HG13 0.20 -0.03 -0.10 -0.04 1.21 1.24 2jv6A8 ILE 376 HG23 0.12 0.01 -0.15 -0.04 0.93 0.87 2jv6A8 ILE 376 HD13 0.02 -0.02 -0.15 -0.04 0.88 0.69 2jv6A8 ILE 377 H 0.11 0.76 0.41 -0.55 8.25 8.98 2jv6A8 ILE 377 HA 0.15 0.31 0.94 -0.75 4.18 4.82 2jv6A8 ILE 377 HB 0.07 -0.12 -0.11 -0.04 1.89 1.70 2jv6A8 ILE 377 HG12 0.11 0.20 -0.28 -0.04 1.49 1.47 2jv6A8 ILE 377 HG13 0.16 -0.15 -0.67 -0.04 1.21 0.51 2jv6A8 ILE 377 HG23 0.04 0.05 -0.36 -0.04 0.93 0.62 2jv6A8 ILE 377 HD13 0.11 -0.09 -0.31 -0.04 0.88 0.55 2jv6A8 VAL 378 H -0.01 0.72 0.25 -0.55 8.24 8.65 2jv6A8 VAL 378 HA -0.06 0.20 0.85 -0.75 4.13 4.36 2jv6A8 VAL 378 HB -0.40 -0.06 0.10 -0.04 2.12 1.73 2jv6A8 VAL 378 HG13 -0.20 -0.01 -0.17 -0.04 0.97 0.55 2jv6A8 VAL 378 HG23 -0.17 -0.00 -0.23 -0.04 0.95 0.51 2jv6A8 GLY 379 H -0.05 0.64 0.21 -0.55 8.43 8.69 2jv6A8 GLY 379 HA2 -0.02 -0.03 0.34 -0.51 4.01 3.79 2jv6A8 GLY 379 HA3 -0.04 0.14 0.49 -0.51 4.01 4.09 2jv6A8 THR 380 H 0.01 0.32 0.23 -0.55 8.28 8.29 2jv6A8 THR 380 HA 0.04 0.17 0.67 -0.75 4.39 4.51 2jv6A8 THR 380 HB 0.05 -0.07 0.03 -0.04 4.32 4.28 2jv6A8 THR 380 HG23 0.13 0.02 -0.02 -0.04 1.22 1.31 2jv6A8 GLY 381 H 0.02 0.13 0.14 -0.55 8.43 8.18 2jv6A8 GLY 381 HA2 0.01 0.03 0.37 -0.51 4.01 3.91 2jv6A8 GLY 381 HA3 0.01 0.09 0.70 -0.51 4.01 4.30 2jv6A8 ASP 382 H 0.00 0.12 0.17 -0.55 8.40 8.15 2jv6A8 ASP 382 HA 0.00 0.12 0.44 -0.75 4.63 4.43 2jv6A8 ASP 382 HB2 0.00 0.04 0.10 -0.04 2.71 2.82 2jv6A8 ASP 382 HB3 0.00 -0.03 0.15 -0.04 2.70 2.78 2jv6A8 SER 383 H -0.00 0.02 -0.26 -0.55 8.46 7.67 2jv6A8 SER 383 HA -0.01 -0.01 0.33 -0.75 4.49 4.04 2jv6A8 SER 383 HB2 -0.01 0.22 -0.12 -0.04 3.95 4.00 2jv6A8 SER 383 HB3 -0.02 -0.09 -0.20 -0.04 3.93 3.57 2jv6A8 ARG 384 H -0.00 0.30 -0.77 -0.55 8.46 7.44 2jv6A8 ARG 384 HA -0.04 0.21 0.63 -0.75 4.34 4.38 2jv6A8 ARG 384 HB2 0.00 0.10 -0.42 -0.04 1.90 1.54 2jv6A8 ARG 384 HB3 0.01 -0.15 -0.48 -0.04 1.80 1.14 2jv6A8 ARG 384 HG2 0.01 0.00 -0.04 -0.04 1.67 1.61 2jv6A8 ARG 384 HG3 0.02 -0.04 -0.27 -0.04 1.67 1.34 2jv6A8 ARG 384 HD2 0.02 -0.10 -0.06 -0.04 3.22 3.05 2jv6A8 ARG 384 HD3 0.03 0.05 -0.11 -0.04 3.22 3.15 2jv6A8 LEU 385 H -0.09 0.46 0.31 -0.55 8.37 8.49 2jv6A8 LEU 385 HA 0.04 0.13 0.81 -0.75 4.35 4.58 2jv6A8 LEU 385 HB2 -0.42 -0.07 0.04 -0.04 1.64 1.15 2jv6A8 LEU 385 HB3 0.13 -0.03 0.10 -0.04 1.64 1.80 2jv6A8 LEU 385 HG -0.13 0.19 -0.05 -0.04 1.64 1.61 2jv6A8 LEU 385 HD13 -0.00 -0.05 0.08 -0.04 0.93 0.91 2jv6A8 LEU 385 HD23 0.02 0.01 -0.14 -0.04 0.89 0.73 2jv6A8 THR 386 H 0.21 0.19 0.21 -0.55 8.28 8.35 2jv6A8 THR 386 HA 0.30 0.35 0.82 -0.75 4.39 5.11 2jv6A8 THR 386 HB 0.11 0.20 -0.19 -0.04 4.32 4.40 2jv6A8 THR 386 HG23 0.04 -0.03 -0.10 -0.04 1.22 1.09 2jv6A8 TYR 387 H 0.34 0.39 0.20 -0.55 8.29 8.67 2jv6A8 TYR 387 HA 0.02 0.07 0.67 -0.75 4.56 4.57 2jv6A8 TYR 387 HB2 -0.45 0.05 -0.08 -0.04 3.06 2.54 2jv6A8 TYR 387 HB3 -0.04 -0.01 0.10 -0.04 2.98 2.99 2jv6A8 TYR 387 HD2 -0.08 -0.00 -0.10 -0.04 7.15 6.93 2jv6A8 TYR 387 HE2 -0.16 0.01 0.07 -0.04 6.85 6.73 2jv6A8 GLN 388 H -0.53 0.14 0.17 -0.55 8.47 7.70 2jv6A8 GLN 388 HA 0.16 0.12 0.64 -0.75 4.36 4.53 2jv6A8 GLN 388 HB2 -0.03 -0.01 0.08 -0.04 2.15 2.16 2jv6A8 GLN 388 HB3 -0.34 -0.01 0.16 -0.04 2.02 1.79 2jv6A8 GLN 388 HG2 -0.35 0.06 -0.07 -0.04 2.40 2.00 2jv6A8 GLN 388 HG3 0.03 -0.01 -0.04 -0.04 2.39 2.33 2jv6A8 GLN 388 HE21 -0.07 0.01 -0.02 -0.04 6.97 6.84 2jv6A8 GLN 388 HE22 -0.13 -0.01 -0.04 -0.04 7.69 7.46 2jv6A8 TRP 389 H -0.09 0.74 0.48 -0.55 7.97 8.55 2jv6A8 TRP 389 HA -0.07 0.06 0.39 -0.75 4.62 4.24 2jv6A8 TRP 389 HB2 -0.05 0.02 -0.01 -0.04 3.23 3.14 2jv6A8 TRP 389 HB3 -0.06 -0.02 -0.13 -0.04 3.23 2.98 2jv6A8 TRP 389 HD1 0.20 -0.02 -0.33 -0.04 7.22 7.02 2jv6A8 TRP 389 HE1 0.05 0.59 -0.06 -0.04 10.20 10.73 2jv6A8 TRP 389 HE3 0.02 0.03 -0.08 -0.04 7.59 7.52 2jv6A8 TRP 389 HZ2 0.03 0.13 0.17 -0.04 7.44 7.73 2jv6A8 TRP 389 HZ3 0.03 -0.01 0.06 -0.04 7.13 7.17 2jv6A8 TRP 389 HH2 0.03 0.05 0.10 -0.04 7.19 7.32 2jv6A8 HIS 390 H 0.03 0.21 0.05 -0.55 8.41 8.16 2jv6A8 HIS 390 HA 0.05 0.23 0.65 -0.75 4.63 4.81 2jv6A8 HIS 390 HB2 -0.02 -0.02 0.09 -0.04 3.26 3.27 2jv6A8 HIS 390 HB3 0.02 0.01 -0.05 -0.04 3.20 3.14 2jv6A8 HIS 390 HD2 -0.13 0.01 -0.09 -0.04 6.97 6.71 2jv6A8 HIS 390 HE1 0.08 0.01 -0.04 -0.04 7.75 7.76 2jv6A8 LYS 391 H 0.15 0.86 0.11 -0.55 8.42 8.99 2jv6A8 LYS 391 HA 0.24 -0.01 0.63 -0.75 4.32 4.43 2jv6A8 LYS 391 HB2 0.10 -0.05 -0.07 -0.04 1.87 1.81 2jv6A8 LYS 391 HB3 0.06 0.23 0.17 -0.04 1.79 2.21 2jv6A8 LYS 391 HG2 -0.09 0.16 -0.18 -0.04 1.46 1.31 2jv6A8 LYS 391 HG3 0.02 -0.10 -0.23 -0.04 1.46 1.11 2jv6A8 LYS 391 HD2 0.10 -0.15 0.02 -0.04 1.69 1.63 2jv6A8 LYS 391 HD3 -0.00 -0.02 -0.06 -0.04 1.68 1.55 2jv6A8 LYS 391 HE2 -0.09 0.04 -0.11 -0.04 2.99 2.79 2jv6A8 LYS 391 HE3 -0.01 0.02 -0.12 -0.04 2.99 2.84 2jv6A8 GLU 392 H 0.18 0.15 0.17 -0.55 8.60 8.55 2jv6A8 GLU 392 HA 0.12 -0.04 0.40 -0.75 4.29 4.03 2jv6A8 GLU 392 HB2 0.22 0.15 0.18 -0.04 2.09 2.60 2jv6A8 GLU 392 HB3 0.13 -0.09 0.01 -0.04 1.99 2.00 2jv6A8 GLU 392 HG2 0.20 0.02 -0.32 -0.04 2.34 2.20 2jv6A8 GLU 392 HG3 0.33 0.09 -0.05 -0.04 2.34 2.66 2jv6A8 GLY 393 H 0.08 -0.04 0.09 -0.55 8.43 8.01 2jv6A8 GLY 393 HA2 0.04 0.13 0.32 -0.51 4.01 4.00 2jv6A8 GLY 393 HA3 0.04 0.26 0.40 -0.51 4.01 4.20 2jv6A8 SER 394 H 0.05 0.78 0.44 -0.55 8.46 9.19 2jv6A8 SER 394 HA 0.02 0.07 0.06 -0.75 4.49 3.88 2jv6A8 SER 394 HB2 0.04 -0.02 0.08 -0.04 3.95 4.01 2jv6A8 SER 394 HB3 0.03 0.02 0.10 -0.04 3.93 4.04 2jv6A8 SER 395 H 0.01 0.01 -0.62 -0.55 8.46 7.32 2jv6A8 SER 395 HA -0.00 0.20 0.73 -0.75 4.49 4.66 2jv6A8 SER 395 HB2 -0.01 -0.00 -0.01 -0.04 3.95 3.89 2jv6A8 SER 395 HB3 -0.01 -0.03 -0.02 -0.04 3.93 3.84 2jv6A8 ILE 396 H 0.01 0.33 0.06 -0.55 8.25 8.09 2jv6A8 ILE 396 HA -0.00 0.17 0.57 -0.75 4.18 4.17 2jv6A8 ILE 396 HB 0.00 0.01 -0.06 -0.04 1.89 1.81 2jv6A8 ILE 396 HG12 0.00 -0.01 0.01 -0.04 1.49 1.45 2jv6A8 ILE 396 HG13 0.00 0.04 0.14 -0.04 1.21 1.35 2jv6A8 ILE 396 HG23 0.01 -0.02 0.04 -0.04 0.93 0.92 2jv6A8 ILE 396 HD13 0.00 -0.01 0.01 -0.04 0.88 0.85 2jv6A8 GLY 397 H 0.01 0.52 0.24 -0.55 8.43 8.65 2jv6A8 GLY 397 HA2 -0.02 0.03 0.19 -0.51 4.01 3.70 2jv6A8 GLY 397 HA3 -0.01 0.17 0.69 -0.51 4.01 4.36 2jv6A8 LYS 398 H 0.02 0.30 0.01 -0.55 8.42 8.20 2jv6A8 LYS 398 HA 0.05 0.15 0.31 -0.75 4.32 4.07 2jv6A8 LYS 398 HB2 0.02 0.17 -0.18 -0.04 1.87 1.85 2jv6A8 LYS 398 HB3 0.02 0.02 -0.04 -0.04 1.79 1.75 2jv6A8 LYS 398 HG2 0.06 -0.02 0.08 -0.04 1.46 1.54 2jv6A8 LYS 398 HG3 0.04 0.06 0.01 -0.04 1.46 1.53 2jv6A8 LYS 398 HD2 0.03 0.05 0.02 -0.04 1.69 1.75 2jv6A8 LYS 398 HD3 0.04 -0.05 0.05 -0.04 1.68 1.68 2jv6A8 LYS 398 HE2 0.05 0.06 0.03 -0.04 2.99 3.09 2jv6A8 LYS 398 HE3 0.05 0.02 0.04 -0.04 2.99 3.05