============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TRP 9 1.040 -2.185 0.228 -9.774 -99.200 -91.000 TRP6 9 1.020 -1.284 2.302 -10.558 -99.200 -91.000 TYR 11 0.840 1.227 -5.089 -12.676 -99.200 -91.000 PHE 19 1.000 0.945 -8.707 1.099 -99.200 -91.000 TYR 21 0.840 -2.154 -10.458 11.071 -99.200 -91.000 TYR 25 0.840 0.591 -2.348 15.951 -99.200 -91.000 TYR 35 0.840 -7.314 4.292 -1.495 -99.200 -91.000 TRP 61 1.040 4.662 -6.140 6.030 -99.200 -91.000 TRP6 61 1.020 2.668 -5.104 5.213 -99.200 -91.000 HIS 80 0.900 -3.096 8.679 -5.808 -99.200 -91.000 HIS 81 0.900 -0.315 16.913 -5.823 -99.200 -91.000 PHE 89 1.000 -3.879 1.994 5.394 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2gv1A4 MET 1 HA 0.02 -0.11 0.21 -0.75 4.52 3.88 2gv1A4 MET 1 HB2 0.00 0.02 -0.01 -0.04 2.15 2.12 2gv1A4 MET 1 HB3 0.05 -0.02 -0.04 -0.04 2.03 1.98 2gv1A4 MET 1 HG2 0.06 0.03 0.01 -0.04 2.63 2.70 2gv1A4 MET 1 HG3 0.04 -0.03 0.05 -0.04 2.56 2.57 2gv1A4 MET 1 HE3 0.03 -0.00 0.01 -0.04 2.10 2.10 2gv1A4 SER 2 H 0.03 -0.01 0.11 -0.55 8.46 8.04 2gv1A4 SER 2 HA 0.01 0.21 0.75 -0.75 4.49 4.71 2gv1A4 SER 2 HB2 0.02 -0.04 0.06 -0.04 3.95 3.94 2gv1A4 SER 2 HB3 0.01 -0.04 0.01 -0.04 3.93 3.87 2gv1A4 LYS 3 H 0.04 0.01 0.10 -0.55 8.42 8.01 2gv1A4 LYS 3 HA 0.03 -0.04 0.36 -0.75 4.32 3.92 2gv1A4 LYS 3 HB2 0.04 0.02 0.19 -0.04 1.87 2.08 2gv1A4 LYS 3 HB3 0.04 0.04 0.07 -0.04 1.79 1.90 2gv1A4 LYS 3 HG2 0.02 0.07 0.05 -0.04 1.46 1.56 2gv1A4 LYS 3 HG3 0.02 -0.15 0.07 -0.04 1.46 1.37 2gv1A4 LYS 3 HD2 0.02 0.07 -0.00 -0.04 1.69 1.73 2gv1A4 LYS 3 HD3 0.02 -0.07 -0.11 -0.04 1.68 1.48 2gv1A4 LYS 3 HE2 0.02 -0.08 0.08 -0.04 2.99 2.97 2gv1A4 LYS 3 HE3 0.02 0.06 0.03 -0.04 2.99 3.06 2gv1A4 VAL 4 H 0.03 0.44 0.24 -0.55 8.24 8.40 2gv1A4 VAL 4 HA 0.06 0.15 0.72 -0.75 4.13 4.31 2gv1A4 VAL 4 HB 0.02 0.06 -0.05 -0.04 2.12 2.11 2gv1A4 VAL 4 HG13 0.01 0.03 0.28 -0.04 0.97 1.25 2gv1A4 VAL 4 HG23 0.02 -0.01 0.00 -0.04 0.95 0.91 2gv1A4 CYS 5 H 0.09 0.22 0.08 -0.55 8.50 8.35 2gv1A4 CYS 5 HA 0.03 0.25 0.85 -0.75 4.58 4.95 2gv1A4 CYS 5 HB2 0.13 0.23 0.08 -0.04 2.97 3.36 2gv1A4 CYS 5 HB3 0.05 -0.06 -0.16 -0.04 2.97 2.76 2gv1A4 ILE 6 H -0.02 0.41 0.37 -0.55 8.25 8.47 2gv1A4 ILE 6 HA 0.01 0.03 1.04 -0.75 4.18 4.51 2gv1A4 ILE 6 HB -0.06 0.05 0.08 -0.04 1.89 1.92 2gv1A4 ILE 6 HG12 -0.04 -0.03 -0.06 -0.04 1.49 1.32 2gv1A4 ILE 6 HG13 -0.03 0.11 0.08 -0.04 1.21 1.32 2gv1A4 ILE 6 HG23 0.00 0.02 -0.16 -0.04 0.93 0.75 2gv1A4 ILE 6 HD13 -0.11 -0.06 -0.09 -0.04 0.88 0.58 2gv1A4 ILE 7 H -0.14 0.71 0.25 -0.55 8.25 8.52 2gv1A4 ILE 7 HA -0.54 0.18 0.84 -0.75 4.18 3.91 2gv1A4 ILE 7 HB -0.72 0.01 -0.08 -0.04 1.89 1.06 2gv1A4 ILE 7 HG12 -2.25 -0.03 -0.23 -0.04 1.49 -1.07 2gv1A4 ILE 7 HG13 -0.97 0.03 -0.11 -0.04 1.21 0.11 2gv1A4 ILE 7 HG23 -0.25 0.01 -0.12 -0.04 0.93 0.53 2gv1A4 ILE 7 HD13 -0.43 -0.01 -0.11 -0.04 0.88 0.30 2gv1A4 ALA 8 H -0.47 0.75 0.25 -0.55 8.40 8.39 2gv1A4 ALA 8 HA -0.21 0.25 0.90 -0.75 4.34 4.52 2gv1A4 ALA 8 HB3 -0.16 -0.00 0.01 -0.04 1.41 1.22 2gv1A4 TRP 9 H 0.00 0.70 0.29 -0.55 7.97 8.41 2gv1A4 TRP 9 HA -0.18 0.11 0.80 -0.75 4.62 4.60 2gv1A4 TRP 9 HB2 -0.38 0.03 0.21 -0.04 3.23 3.04 2gv1A4 TRP 9 HB3 -0.47 -0.05 -0.07 -0.04 3.23 2.60 2gv1A4 TRP 9 HD1 -0.13 -0.05 -0.13 -0.04 7.22 6.86 2gv1A4 TRP 9 HE1 -0.05 -0.02 -0.09 -0.04 10.20 10.01 2gv1A4 TRP 9 HE3 -0.11 0.12 0.02 -0.04 7.59 7.58 2gv1A4 TRP 9 HZ2 0.00 -0.01 -0.08 -0.04 7.44 7.31 2gv1A4 TRP 9 HZ3 -0.02 0.02 -0.09 -0.04 7.13 7.00 2gv1A4 TRP 9 HH2 0.02 0.02 -0.07 -0.04 7.19 7.12 2gv1A4 VAL 10 H -0.06 0.68 0.31 -0.55 8.24 8.62 2gv1A4 VAL 10 HA -0.04 0.19 0.93 -0.75 4.13 4.45 2gv1A4 VAL 10 HB -0.17 -0.13 0.34 -0.04 2.12 2.12 2gv1A4 VAL 10 HG13 -0.20 0.03 -0.05 -0.04 0.97 0.71 2gv1A4 VAL 10 HG23 -0.18 0.03 -0.05 -0.04 0.95 0.71 2gv1A4 TYR 11 H 0.12 0.54 0.27 -0.55 8.29 8.67 2gv1A4 TYR 11 HA 0.02 -0.06 0.48 -0.75 4.56 4.25 2gv1A4 TYR 11 HB2 0.01 -0.02 0.11 -0.04 3.06 3.11 2gv1A4 TYR 11 HB3 -0.00 -0.02 0.05 -0.04 2.98 2.96 2gv1A4 TYR 11 HD2 0.01 -0.03 -0.12 -0.04 7.15 6.96 2gv1A4 TYR 11 HE2 -0.04 0.01 -0.06 -0.04 6.85 6.72 2gv1A4 GLY 12 H 0.15 0.04 0.16 -0.55 8.43 8.23 2gv1A4 GLY 12 HA2 0.04 0.03 0.36 -0.51 4.01 3.93 2gv1A4 GLY 12 HA3 0.04 0.16 0.86 -0.51 4.01 4.56 2gv1A4 ARG 13 H 0.03 0.28 0.24 -0.55 8.46 8.46 2gv1A4 ARG 13 HA 0.03 0.12 0.61 -0.75 4.34 4.34 2gv1A4 ARG 13 HB2 0.03 -0.01 0.29 -0.04 1.90 2.17 2gv1A4 ARG 13 HB3 0.03 0.09 0.12 -0.04 1.80 1.99 2gv1A4 ARG 13 HG2 0.02 -0.02 0.00 -0.04 1.67 1.63 2gv1A4 ARG 13 HG3 0.02 -0.03 0.11 -0.04 1.67 1.73 2gv1A4 ARG 13 HD2 0.02 0.04 0.06 -0.04 3.22 3.29 2gv1A4 ARG 13 HD3 0.02 0.04 0.04 -0.04 3.22 3.28 2gv1A4 VAL 14 H 0.01 0.56 0.35 -0.55 8.24 8.61 2gv1A4 VAL 14 HA 0.06 0.10 0.70 -0.75 4.13 4.23 2gv1A4 VAL 14 HB -0.10 0.02 0.11 -0.04 2.12 2.11 2gv1A4 VAL 14 HG13 -0.40 -0.03 -0.06 -0.04 0.97 0.43 2gv1A4 VAL 14 HG23 -0.08 0.02 -0.39 -0.04 0.95 0.46 2gv1A4 GLN 15 H 0.02 0.37 0.25 -0.55 8.47 8.57 2gv1A4 GLN 15 HA 0.06 -0.08 0.45 -0.75 4.36 4.04 2gv1A4 GLN 15 HB2 0.04 -0.02 0.05 -0.04 2.15 2.18 2gv1A4 GLN 15 HB3 0.03 0.00 -0.01 -0.04 2.02 2.00 2gv1A4 GLN 15 HG2 0.03 0.11 0.11 -0.04 2.40 2.62 2gv1A4 GLN 15 HG3 0.04 0.04 -0.23 -0.04 2.39 2.20 2gv1A4 GLN 15 HE21 0.03 0.04 -0.34 -0.04 6.97 6.66 2gv1A4 GLN 15 HE22 0.04 0.47 -0.08 -0.04 7.69 8.07 2gv1A4 GLY 16 H 0.07 0.08 0.16 -0.55 8.43 8.19 2gv1A4 GLY 16 HA2 0.06 0.02 0.28 -0.51 4.01 3.86 2gv1A4 GLY 16 HA3 0.05 0.14 0.39 -0.51 4.01 4.08 2gv1A4 VAL 17 H 0.10 -0.06 -0.20 -0.55 8.24 7.53 2gv1A4 VAL 17 HA 0.07 0.22 0.75 -0.75 4.13 4.41 2gv1A4 VAL 17 HB 0.16 -0.01 0.07 -0.04 2.12 2.31 2gv1A4 VAL 17 HG13 0.08 -0.01 -0.10 -0.04 0.97 0.89 2gv1A4 VAL 17 HG23 0.08 0.06 -0.29 -0.04 0.95 0.75 2gv1A4 GLY 18 H 0.16 -0.11 0.16 -0.55 8.43 8.10 2gv1A4 GLY 18 HA2 0.15 -0.00 0.23 -0.51 4.01 3.88 2gv1A4 GLY 18 HA3 0.14 0.28 0.72 -0.51 4.01 4.63 2gv1A4 PHE 19 H 0.31 0.03 0.13 -0.55 8.34 8.26 2gv1A4 PHE 19 HA 0.17 0.14 0.32 -0.75 4.62 4.51 2gv1A4 PHE 19 HB2 0.07 0.07 0.13 -0.04 3.15 3.38 2gv1A4 PHE 19 HB3 0.11 -0.01 -0.03 -0.04 3.06 3.09 2gv1A4 PHE 19 HD2 0.03 -0.02 -0.02 -0.04 7.28 7.22 2gv1A4 PHE 19 HE2 -0.48 0.00 0.01 -0.04 7.38 6.88 2gv1A4 PHE 19 HZ -0.31 0.20 0.11 -0.04 7.32 7.28 2gv1A4 ARG 20 H 0.31 0.02 -0.42 -0.55 8.46 7.82 2gv1A4 ARG 20 HA 0.37 0.02 0.36 -0.75 4.34 4.34 2gv1A4 ARG 20 HB2 0.19 0.02 0.14 -0.04 1.90 2.21 2gv1A4 ARG 20 HB3 0.22 0.01 0.06 -0.04 1.80 2.05 2gv1A4 ARG 20 HG2 0.18 -0.13 -0.06 -0.04 1.67 1.62 2gv1A4 ARG 20 HG3 0.17 0.13 -0.19 -0.04 1.67 1.75 2gv1A4 ARG 20 HD2 0.10 0.05 -0.03 -0.04 3.22 3.30 2gv1A4 ARG 20 HD3 0.10 0.01 0.01 -0.04 3.22 3.30 2gv1A4 TYR 21 H 0.37 0.55 -0.38 -0.55 8.29 8.28 2gv1A4 TYR 21 HA 0.05 0.15 0.48 -0.75 4.56 4.49 2gv1A4 TYR 21 HB2 0.06 0.22 0.06 -0.04 3.06 3.35 2gv1A4 TYR 21 HB3 0.03 -0.11 0.17 -0.04 2.98 3.03 2gv1A4 TYR 21 HD2 -0.03 -0.00 -0.05 -0.04 7.15 7.03 2gv1A4 TYR 21 HE2 -0.04 -0.00 -0.02 -0.04 6.85 6.75 2gv1A4 THR 22 H 0.02 0.20 0.14 -0.55 8.28 8.09 2gv1A4 THR 22 HA -0.21 0.16 0.63 -0.75 4.39 4.22 2gv1A4 THR 22 HB -0.19 0.07 0.05 -0.04 4.32 4.21 2gv1A4 THR 22 HG23 -1.35 0.03 -0.04 -0.04 1.22 -0.18 2gv1A4 THR 23 H -0.18 0.11 -0.19 -0.55 8.28 7.47 2gv1A4 THR 23 HA -0.33 0.06 0.23 -0.75 4.39 3.59 2gv1A4 THR 23 HB 0.41 0.04 0.03 -0.04 4.32 4.76 2gv1A4 THR 23 HG23 0.27 0.03 -0.16 -0.04 1.22 1.32 2gv1A4 GLN 24 H -0.00 0.17 -0.37 -0.55 8.47 7.72 2gv1A4 GLN 24 HA -0.01 0.08 0.30 -0.75 4.36 3.98 2gv1A4 GLN 24 HB2 0.02 -0.00 0.03 -0.04 2.15 2.15 2gv1A4 GLN 24 HB3 0.04 0.06 -0.07 -0.04 2.02 2.01 2gv1A4 GLN 24 HG2 0.25 -0.08 -0.08 -0.04 2.40 2.45 2gv1A4 GLN 24 HG3 0.10 0.06 -0.03 -0.04 2.39 2.47 2gv1A4 GLN 24 HE21 0.17 -0.03 -0.15 -0.04 6.97 6.92 2gv1A4 GLN 24 HE22 0.05 -0.01 -0.16 -0.04 7.69 7.52 2gv1A4 TYR 25 H 0.01 0.10 -0.14 -0.55 8.29 7.71 2gv1A4 TYR 25 HA -0.11 0.05 0.32 -0.75 4.56 4.07 2gv1A4 TYR 25 HB2 -0.17 -0.01 0.16 -0.04 3.06 3.00 2gv1A4 TYR 25 HB3 -0.21 0.01 0.10 -0.04 2.98 2.85 2gv1A4 TYR 25 HD2 -0.11 0.00 -0.06 -0.04 7.15 6.94 2gv1A4 TYR 25 HE2 -0.06 0.01 -0.01 -0.04 6.85 6.74 2gv1A4 GLU 26 H -0.14 0.58 -0.08 -0.55 8.60 8.42 2gv1A4 GLU 26 HA -0.07 0.02 0.35 -0.75 4.29 3.84 2gv1A4 GLU 26 HB2 -0.38 0.09 -0.00 -0.04 2.09 1.75 2gv1A4 GLU 26 HB3 -0.16 0.01 -0.03 -0.04 1.99 1.77 2gv1A4 GLU 26 HG2 -0.16 0.00 0.00 -0.04 2.34 2.14 2gv1A4 GLU 26 HG3 -0.08 -0.01 0.01 -0.04 2.34 2.22 2gv1A4 ALA 27 H -0.25 0.56 -0.08 -0.55 8.40 8.08 2gv1A4 ALA 27 HA -0.17 -0.06 0.34 -0.75 4.34 3.70 2gv1A4 ALA 27 HB3 -0.45 0.06 0.08 -0.04 1.41 1.06 2gv1A4 LYS 28 H -0.14 0.51 -0.32 -0.55 8.42 7.92 2gv1A4 LYS 28 HA -0.07 0.01 0.44 -0.75 4.32 3.95 2gv1A4 LYS 28 HB2 -0.15 0.06 0.10 -0.04 1.87 1.83 2gv1A4 LYS 28 HB3 -0.24 0.10 0.08 -0.04 1.79 1.69 2gv1A4 LYS 28 HG2 -0.09 -0.00 0.10 -0.04 1.46 1.43 2gv1A4 LYS 28 HG3 -0.10 -0.04 0.03 -0.04 1.46 1.30 2gv1A4 LYS 28 HD2 -0.14 -0.04 -0.01 -0.04 1.69 1.46 2gv1A4 LYS 28 HD3 -0.29 -0.02 -0.02 -0.04 1.68 1.30 2gv1A4 LYS 28 HE2 -0.16 0.08 -0.25 -0.04 2.99 2.62 2gv1A4 LYS 28 HE3 -0.10 -0.01 -0.03 -0.04 2.99 2.81 2gv1A4 ARG 29 H -0.08 0.43 -0.16 -0.55 8.46 8.10 2gv1A4 ARG 29 HA -0.05 0.03 0.53 -0.75 4.34 4.10 2gv1A4 ARG 29 HB2 -0.03 0.07 0.15 -0.04 1.90 2.05 2gv1A4 ARG 29 HB3 -0.01 -0.06 0.04 -0.04 1.80 1.72 2gv1A4 ARG 29 HG2 0.00 0.16 0.09 -0.04 1.67 1.88 2gv1A4 ARG 29 HG3 0.02 -0.08 0.02 -0.04 1.67 1.59 2gv1A4 ARG 29 HD2 -0.01 -0.00 0.03 -0.04 3.22 3.20 2gv1A4 ARG 29 HD3 -0.06 0.02 -0.03 -0.04 3.22 3.11 2gv1A4 LEU 30 H -0.05 0.30 -0.10 -0.55 8.37 7.98 2gv1A4 LEU 30 HA -0.02 0.05 0.48 -0.75 4.35 4.11 2gv1A4 LEU 30 HB2 -0.04 0.02 0.09 -0.04 1.64 1.68 2gv1A4 LEU 30 HB3 -0.02 -0.07 -0.01 -0.04 1.64 1.50 2gv1A4 LEU 30 HG -0.03 0.07 0.01 -0.04 1.64 1.66 2gv1A4 LEU 30 HD13 -0.01 -0.05 -0.14 -0.04 0.93 0.69 2gv1A4 LEU 30 HD23 -0.01 -0.02 -0.03 -0.04 0.89 0.79 2gv1A4 GLY 31 H -0.04 0.41 -0.12 -0.55 8.43 8.13 2gv1A4 GLY 31 HA2 -0.02 0.05 0.31 -0.51 4.01 3.84 2gv1A4 GLY 31 HA3 -0.01 0.05 0.57 -0.51 4.01 4.11 2gv1A4 LEU 32 H -0.02 0.18 0.02 -0.55 8.37 8.00 2gv1A4 LEU 32 HA 0.02 0.10 0.58 -0.75 4.35 4.30 2gv1A4 LEU 32 HB2 0.01 0.06 0.08 -0.04 1.64 1.75 2gv1A4 LEU 32 HB3 -0.01 -0.03 -0.06 -0.04 1.64 1.51 2gv1A4 LEU 32 HG 0.01 0.12 -0.05 -0.04 1.64 1.67 2gv1A4 LEU 32 HD13 -0.02 0.02 -0.05 -0.04 0.93 0.83 2gv1A4 LEU 32 HD23 -0.09 -0.01 0.03 -0.04 0.89 0.78 2gv1A4 THR 33 H 0.05 -0.02 0.06 -0.55 8.28 7.82 2gv1A4 THR 33 HA 0.16 0.14 0.21 -0.75 4.39 4.14 2gv1A4 THR 33 HB 0.08 0.00 -0.19 -0.04 4.32 4.16 2gv1A4 THR 33 HG23 0.04 0.08 -0.38 -0.04 1.22 0.92 2gv1A4 GLY 34 H 0.10 0.26 0.10 -0.55 8.43 8.34 2gv1A4 GLY 34 HA2 0.02 -0.02 0.24 -0.51 4.01 3.74 2gv1A4 GLY 34 HA3 0.04 0.37 0.66 -0.51 4.01 4.57 2gv1A4 TYR 35 H -0.34 0.42 0.37 -0.55 8.29 8.20 2gv1A4 TYR 35 HA -0.73 0.26 0.56 -0.75 4.56 3.90 2gv1A4 TYR 35 HB2 -0.23 -0.07 -0.06 -0.04 3.06 2.66 2gv1A4 TYR 35 HB3 -0.25 0.13 -0.12 -0.04 2.98 2.70 2gv1A4 TYR 35 HD2 -0.08 -0.02 -0.30 -0.04 7.15 6.71 2gv1A4 TYR 35 HE2 -0.05 0.01 -0.07 -0.04 6.85 6.70 2gv1A4 ALA 36 H -0.01 0.30 0.22 -0.55 8.40 8.37 2gv1A4 ALA 36 HA 0.04 0.23 0.84 -0.75 4.34 4.70 2gv1A4 ALA 36 HB3 0.25 -0.00 0.09 -0.04 1.41 1.70 2gv1A4 LYS 37 H 0.14 0.55 0.20 -0.55 8.42 8.76 2gv1A4 LYS 37 HA 0.08 0.06 0.70 -0.75 4.32 4.41 2gv1A4 LYS 37 HB2 0.26 0.07 0.10 -0.04 1.87 2.26 2gv1A4 LYS 37 HB3 0.09 0.03 0.03 -0.04 1.79 1.90 2gv1A4 LYS 37 HG2 0.00 0.01 0.08 -0.04 1.46 1.51 2gv1A4 LYS 37 HG3 0.02 -0.07 -0.07 -0.04 1.46 1.30 2gv1A4 LYS 37 HD2 -0.24 0.01 -0.05 -0.04 1.69 1.37 2gv1A4 LYS 37 HD3 -0.02 0.02 -0.02 -0.04 1.68 1.62 2gv1A4 LYS 37 HE2 -0.25 -0.02 -0.06 -0.04 2.99 2.61 2gv1A4 LYS 37 HE3 -0.19 0.02 -0.04 -0.04 2.99 2.74 2gv1A4 ASN 38 H 0.05 0.23 0.22 -0.55 8.53 8.49 2gv1A4 ASN 38 HA 0.04 0.10 1.04 -0.75 4.76 5.19 2gv1A4 ASN 38 HB2 0.04 0.03 0.13 -0.04 2.88 3.04 2gv1A4 ASN 38 HB3 0.04 0.06 0.05 -0.04 2.79 2.90 2gv1A4 ASN 38 HD21 0.05 0.02 0.03 -0.04 7.03 7.10 2gv1A4 ASN 38 HD22 0.07 -0.06 0.02 -0.04 7.74 7.72 2gv1A4 LEU 39 H 0.06 0.62 0.34 -0.55 8.37 8.84 2gv1A4 LEU 39 HA 0.06 0.12 0.50 -0.75 4.35 4.29 2gv1A4 LEU 39 HB2 0.07 -0.01 0.21 -0.04 1.64 1.87 2gv1A4 LEU 39 HB3 0.05 -0.10 0.17 -0.04 1.64 1.72 2gv1A4 LEU 39 HG 0.15 0.00 -0.04 -0.04 1.64 1.71 2gv1A4 LEU 39 HD13 0.12 0.01 -0.07 -0.04 0.93 0.94 2gv1A4 LEU 39 HD23 0.09 0.03 0.02 -0.04 0.89 0.99 2gv1A4 ASP 40 H 0.04 0.15 0.15 -0.55 8.40 8.19 2gv1A4 ASP 40 HA 0.03 0.21 0.61 -0.75 4.63 4.72 2gv1A4 ASP 40 HB2 0.02 -0.01 0.10 -0.04 2.71 2.77 2gv1A4 ASP 40 HB3 0.02 0.06 0.18 -0.04 2.70 2.92 2gv1A4 ASP 41 H 0.04 -0.13 -0.41 -0.55 8.40 7.35 2gv1A4 ASP 41 HA 0.02 0.25 0.76 -0.75 4.63 4.90 2gv1A4 ASP 41 HB2 0.03 0.04 -0.00 -0.04 2.71 2.74 2gv1A4 ASP 41 HB3 0.05 -0.18 0.12 -0.04 2.70 2.65 2gv1A4 GLY 42 H 0.04 -0.22 0.10 -0.55 8.43 7.81 2gv1A4 GLY 42 HA2 0.03 0.11 0.44 -0.51 4.01 4.08 2gv1A4 GLY 42 HA3 0.04 0.11 0.21 -0.51 4.01 3.85 2gv1A4 SER 43 H 0.05 -0.22 0.22 -0.55 8.46 7.96 2gv1A4 SER 43 HA 0.02 0.38 0.65 -0.75 4.49 4.80 2gv1A4 SER 43 HB2 0.04 0.10 -0.10 -0.04 3.95 3.95 2gv1A4 SER 43 HB3 0.11 -0.09 0.12 -0.04 3.93 4.03 2gv1A4 VAL 44 H -0.04 0.54 0.34 -0.55 8.24 8.53 2gv1A4 VAL 44 HA 0.00 0.13 0.97 -0.75 4.13 4.47 2gv1A4 VAL 44 HB -0.17 0.03 0.18 -0.04 2.12 2.12 2gv1A4 VAL 44 HG13 -0.06 0.02 -0.19 -0.04 0.97 0.71 2gv1A4 VAL 44 HG23 -0.06 -0.01 -0.11 -0.04 0.95 0.74 2gv1A4 GLU 45 H 0.00 0.54 0.22 -0.55 8.60 8.81 2gv1A4 GLU 45 HA -0.30 0.14 0.70 -0.75 4.29 4.07 2gv1A4 GLU 45 HB2 0.00 -0.08 0.11 -0.04 2.09 2.08 2gv1A4 GLU 45 HB3 -0.26 0.04 -0.05 -0.04 1.99 1.68 2gv1A4 GLU 45 HG2 0.27 -0.01 -0.19 -0.04 2.34 2.37 2gv1A4 GLU 45 HG3 0.10 -0.04 -0.14 -0.04 2.34 2.22 2gv1A4 VAL 46 H -0.30 0.71 0.36 -0.55 8.24 8.46 2gv1A4 VAL 46 HA -0.14 0.17 0.93 -0.75 4.13 4.34 2gv1A4 VAL 46 HB -0.15 0.01 0.15 -0.04 2.12 2.09 2gv1A4 VAL 46 HG13 0.02 -0.01 -0.10 -0.04 0.97 0.85 2gv1A4 VAL 46 HG23 -0.09 0.02 -0.14 -0.04 0.95 0.70 2gv1A4 VAL 47 H -0.31 0.58 0.42 -0.55 8.24 8.38 2gv1A4 VAL 47 HA -0.35 0.29 1.03 -0.75 4.13 4.36 2gv1A4 VAL 47 HB -0.78 -0.16 0.16 -0.04 2.12 1.30 2gv1A4 VAL 47 HG13 -0.52 0.01 0.02 -0.04 0.97 0.44 2gv1A4 VAL 47 HG23 -0.73 0.04 -0.19 -0.04 0.95 0.02 2gv1A4 ALA 48 H -0.13 0.36 0.28 -0.55 8.40 8.36 2gv1A4 ALA 48 HA 0.01 0.33 0.81 -0.75 4.34 4.74 2gv1A4 ALA 48 HB3 -0.03 0.03 -0.11 -0.04 1.41 1.25 2gv1A4 CYS 49 H 0.03 0.07 0.05 -0.55 8.50 8.11 2gv1A4 CYS 49 HA 0.03 0.14 0.54 -0.75 4.58 4.54 2gv1A4 CYS 49 HB2 0.03 -0.06 0.04 -0.04 2.97 2.94 2gv1A4 CYS 49 HB3 0.03 -0.04 0.09 -0.04 2.97 3.01 2gv1A4 GLY 50 H 0.03 0.05 0.05 -0.55 8.43 8.01 2gv1A4 GLY 50 HA2 0.02 0.03 0.27 -0.51 4.01 3.82 2gv1A4 GLY 50 HA3 0.01 0.21 0.66 -0.51 4.01 4.39 2gv1A4 GLU 51 H 0.01 0.16 0.13 -0.55 8.60 8.36 2gv1A4 GLU 51 HA 0.01 0.18 0.73 -0.75 4.29 4.47 2gv1A4 GLU 51 HB2 0.01 -0.03 0.09 -0.04 2.09 2.11 2gv1A4 GLU 51 HB3 0.01 0.10 0.14 -0.04 1.99 2.20 2gv1A4 GLU 51 HG2 0.01 -0.10 0.17 -0.04 2.34 2.38 2gv1A4 GLU 51 HG3 0.01 0.06 0.07 -0.04 2.34 2.43 2gv1A4 GLU 52 H 0.01 0.26 0.23 -0.55 8.60 8.55 2gv1A4 GLU 52 HA 0.01 0.15 0.17 -0.75 4.29 3.87 2gv1A4 GLU 52 HB2 0.01 0.05 0.20 -0.04 2.09 2.31 2gv1A4 GLU 52 HB3 0.01 -0.01 -0.01 -0.04 1.99 1.94 2gv1A4 GLU 52 HG2 0.00 -0.07 -0.01 -0.04 2.34 2.23 2gv1A4 GLU 52 HG3 0.01 0.18 0.04 -0.04 2.34 2.53 2gv1A4 GLY 53 H 0.01 0.09 -0.19 -0.55 8.43 7.79 2gv1A4 GLY 53 HA2 0.01 0.07 0.35 -0.51 4.01 3.92 2gv1A4 GLY 53 HA3 0.01 0.05 0.23 -0.51 4.01 3.79 2gv1A4 GLN 54 H 0.01 0.29 -0.24 -0.55 8.47 7.98 2gv1A4 GLN 54 HA 0.01 0.06 0.49 -0.75 4.36 4.16 2gv1A4 GLN 54 HB2 0.00 0.11 0.15 -0.04 2.15 2.37 2gv1A4 GLN 54 HB3 -0.00 0.02 -0.02 -0.04 2.02 1.98 2gv1A4 GLN 54 HG2 0.00 0.01 0.04 -0.04 2.40 2.42 2gv1A4 GLN 54 HG3 0.00 -0.08 0.05 -0.04 2.39 2.32 2gv1A4 GLN 54 HE21 -0.01 -0.08 0.07 -0.04 6.97 6.91 2gv1A4 GLN 54 HE22 -0.00 0.23 0.11 -0.04 7.69 7.99 2gv1A4 VAL 55 H 0.00 0.33 -0.14 -0.55 8.24 7.89 2gv1A4 VAL 55 HA -0.00 0.01 0.25 -0.75 4.13 3.63 2gv1A4 VAL 55 HB -0.00 0.11 0.06 -0.04 2.12 2.25 2gv1A4 VAL 55 HG13 -0.01 -0.02 -0.14 -0.04 0.97 0.76 2gv1A4 VAL 55 HG23 0.00 0.06 -0.31 -0.04 0.95 0.66 2gv1A4 GLU 56 H 0.01 0.58 -0.34 -0.55 8.60 8.30 2gv1A4 GLU 56 HA 0.01 -0.03 0.29 -0.75 4.29 3.81 2gv1A4 GLU 56 HB2 0.01 0.05 0.03 -0.04 2.09 2.13 2gv1A4 GLU 56 HB3 0.01 0.12 0.02 -0.04 1.99 2.10 2gv1A4 GLU 56 HG2 0.02 -0.05 -0.05 -0.04 2.34 2.22 2gv1A4 GLU 56 HG3 0.01 -0.03 -0.01 -0.04 2.34 2.27 2gv1A4 LYS 57 H 0.02 0.52 -0.27 -0.55 8.42 8.14 2gv1A4 LYS 57 HA 0.04 0.01 0.37 -0.75 4.32 3.98 2gv1A4 LYS 57 HB2 0.02 0.07 0.12 -0.04 1.87 2.03 2gv1A4 LYS 57 HB3 0.03 -0.05 0.06 -0.04 1.79 1.79 2gv1A4 LYS 57 HG2 0.01 0.20 0.24 -0.04 1.46 1.87 2gv1A4 LYS 57 HG3 0.01 -0.05 0.06 -0.04 1.46 1.45 2gv1A4 LYS 57 HD2 0.02 -0.04 0.03 -0.04 1.69 1.66 2gv1A4 LYS 57 HD3 0.02 -0.06 -0.00 -0.04 1.68 1.60 2gv1A4 LYS 57 HE2 0.01 0.11 -0.05 -0.04 2.99 3.02 2gv1A4 LYS 57 HE3 0.01 -0.04 -0.01 -0.04 2.99 2.91 2gv1A4 LEU 58 H 0.04 0.37 -0.19 -0.55 8.37 8.05 2gv1A4 LEU 58 HA 0.16 0.05 0.53 -0.75 4.35 4.33 2gv1A4 LEU 58 HB2 0.08 -0.08 0.02 -0.04 1.64 1.62 2gv1A4 LEU 58 HB3 0.02 0.04 0.02 -0.04 1.64 1.69 2gv1A4 LEU 58 HG 0.06 0.16 -0.08 -0.04 1.64 1.75 2gv1A4 LEU 58 HD13 0.19 -0.04 -0.19 -0.04 0.93 0.85 2gv1A4 LEU 58 HD23 -0.04 -0.00 -0.05 -0.04 0.89 0.75 2gv1A4 MET 59 H 0.07 0.30 -0.30 -0.55 8.47 7.99 2gv1A4 MET 59 HA 0.06 -0.05 0.45 -0.75 4.52 4.22 2gv1A4 MET 59 HB2 0.02 0.10 0.07 -0.04 2.15 2.30 2gv1A4 MET 59 HB3 -0.01 -0.05 0.04 -0.04 2.03 1.97 2gv1A4 MET 59 HG2 0.02 -0.05 -0.09 -0.04 2.63 2.47 2gv1A4 MET 59 HG3 0.00 0.10 -0.18 -0.04 2.56 2.44 2gv1A4 MET 59 HE3 -0.03 -0.00 -0.10 -0.04 2.10 1.93 2gv1A4 GLN 60 H 0.06 0.56 -0.19 -0.55 8.47 8.35 2gv1A4 GLN 60 HA 0.03 0.03 0.43 -0.75 4.36 4.09 2gv1A4 GLN 60 HB2 0.10 0.13 0.11 -0.04 2.15 2.45 2gv1A4 GLN 60 HB3 0.06 -0.03 0.01 -0.04 2.02 2.01 2gv1A4 GLN 60 HG2 0.03 -0.06 0.02 -0.04 2.40 2.35 2gv1A4 GLN 60 HG3 0.05 0.19 0.08 -0.04 2.39 2.66 2gv1A4 GLN 60 HE21 0.02 -0.02 -0.02 -0.04 6.97 6.92 2gv1A4 GLN 60 HE22 0.02 -0.02 -0.01 -0.04 7.69 7.64 2gv1A4 TRP 61 H 0.26 0.25 -0.18 -0.55 7.97 7.76 2gv1A4 TRP 61 HA 0.01 0.05 0.26 -0.75 4.62 4.19 2gv1A4 TRP 61 HB2 0.00 -0.00 0.06 -0.04 3.23 3.25 2gv1A4 TRP 61 HB3 0.01 0.17 0.15 -0.04 3.23 3.52 2gv1A4 TRP 61 HD1 -0.03 0.05 -0.03 -0.04 7.22 7.17 2gv1A4 TRP 61 HE1 -0.11 0.03 0.00 -0.04 10.20 10.07 2gv1A4 TRP 61 HE3 0.03 0.22 -0.03 -0.04 7.59 7.77 2gv1A4 TRP 61 HZ2 -0.08 0.08 0.11 -0.04 7.44 7.51 2gv1A4 TRP 61 HZ3 0.06 -0.00 -0.06 -0.04 7.13 7.08 2gv1A4 TRP 61 HH2 0.23 -0.00 0.02 -0.04 7.19 7.39 2gv1A4 LEU 62 H -0.04 0.37 -0.14 -0.55 8.37 8.01 2gv1A4 LEU 62 HA -0.89 -0.02 0.45 -0.75 4.35 3.14 2gv1A4 LEU 62 HB2 -0.10 0.09 0.17 -0.04 1.64 1.76 2gv1A4 LEU 62 HB3 -0.19 -0.01 -0.04 -0.04 1.64 1.36 2gv1A4 LEU 62 HG -0.20 -0.02 -0.01 -0.04 1.64 1.38 2gv1A4 LEU 62 HD13 0.05 -0.00 -0.11 -0.04 0.93 0.83 2gv1A4 LEU 62 HD23 -0.13 -0.02 -0.03 -0.04 0.89 0.67 2gv1A4 LYS 63 H -0.11 0.63 -0.09 -0.55 8.42 8.30 2gv1A4 LYS 63 HA -0.07 -0.01 0.34 -0.75 4.32 3.83 2gv1A4 LYS 63 HB2 -0.03 0.15 0.11 -0.04 1.87 2.05 2gv1A4 LYS 63 HB3 -0.03 -0.04 0.06 -0.04 1.79 1.75 2gv1A4 LYS 63 HG2 -0.04 -0.06 -0.01 -0.04 1.46 1.31 2gv1A4 LYS 63 HG3 -0.06 -0.02 0.03 -0.04 1.46 1.37 2gv1A4 LYS 63 HD2 -0.01 0.07 -0.14 -0.04 1.69 1.57 2gv1A4 LYS 63 HD3 -0.01 -0.02 -0.03 -0.04 1.68 1.58 2gv1A4 LYS 63 HE2 -0.01 -0.01 -0.04 -0.04 2.99 2.89 2gv1A4 LYS 63 HE3 -0.03 -0.04 -0.07 -0.04 2.99 2.82 2gv1A4 SER 64 H -0.17 0.23 -0.58 -0.55 8.46 7.40 2gv1A4 SER 64 HA -0.04 0.11 0.67 -0.75 4.49 4.46 2gv1A4 SER 64 HB2 -0.01 0.00 -0.02 -0.04 3.95 3.88 2gv1A4 SER 64 HB3 -0.03 -0.02 0.00 -0.04 3.93 3.85 2gv1A4 GLY 65 H -0.35 0.37 -0.09 -0.55 8.43 7.81 2gv1A4 GLY 65 HA2 -0.28 -0.03 0.32 -0.51 4.01 3.50 2gv1A4 GLY 65 HA3 -0.74 -0.03 0.34 -0.51 4.01 3.07 2gv1A4 GLY 66 H 0.03 0.14 -0.22 -0.55 8.43 7.83 2gv1A4 GLY 66 HA2 0.20 -0.06 0.23 -0.51 4.01 3.86 2gv1A4 GLY 66 HA3 0.04 0.03 0.20 -0.51 4.01 3.77 2gv1A4 PRO 67 HA -0.04 0.16 0.55 -0.51 4.44 4.61 2gv1A4 PRO 67 HB2 -0.03 -0.10 0.10 -0.04 2.28 2.21 2gv1A4 PRO 67 HB3 -0.09 0.11 0.13 -0.04 2.02 2.13 2gv1A4 PRO 67 HG2 0.05 -0.11 0.01 -0.04 2.03 1.93 2gv1A4 PRO 67 HG3 -0.06 -0.00 -0.02 -0.04 2.03 1.91 2gv1A4 PRO 67 HD2 0.17 0.00 0.08 -0.04 3.68 3.90 2gv1A4 PRO 67 HD3 -0.28 0.17 -0.20 -0.04 3.65 3.30 2gv1A4 ARG 68 H -0.01 0.12 0.18 -0.55 8.46 8.19 2gv1A4 ARG 68 HA 0.00 0.13 0.25 -0.75 4.34 3.97 2gv1A4 ARG 68 HB2 -0.00 0.03 0.08 -0.04 1.90 1.97 2gv1A4 ARG 68 HB3 -0.01 0.00 0.16 -0.04 1.80 1.92 2gv1A4 ARG 68 HG2 -0.01 -0.14 0.11 -0.04 1.67 1.59 2gv1A4 ARG 68 HG3 0.00 0.07 -0.14 -0.04 1.67 1.56 2gv1A4 ARG 68 HD2 -0.01 -0.00 0.01 -0.04 3.22 3.18 2gv1A4 ARG 68 HD3 -0.01 0.02 0.02 -0.04 3.22 3.21 2gv1A4 SER 69 H 0.01 -0.03 -0.19 -0.55 8.46 7.70 2gv1A4 SER 69 HA 0.02 0.06 0.37 -0.75 4.49 4.18 2gv1A4 SER 69 HB2 0.01 -0.05 0.07 -0.04 3.95 3.94 2gv1A4 SER 69 HB3 0.03 -0.02 0.00 -0.04 3.93 3.90 2gv1A4 ALA 70 H 0.05 -0.00 -0.24 -0.55 8.40 7.66 2gv1A4 ALA 70 HA 0.06 0.17 0.52 -0.75 4.34 4.34 2gv1A4 ALA 70 HB3 0.12 -0.02 0.03 -0.04 1.41 1.50 2gv1A4 ARG 71 H 0.04 0.45 0.13 -0.55 8.46 8.53 2gv1A4 ARG 71 HA 0.03 0.21 0.68 -0.75 4.34 4.51 2gv1A4 ARG 71 HB2 0.02 0.14 -0.05 -0.04 1.90 1.97 2gv1A4 ARG 71 HB3 0.02 -0.23 0.22 -0.04 1.80 1.77 2gv1A4 ARG 71 HG2 0.01 -0.05 -0.20 -0.04 1.67 1.38 2gv1A4 ARG 71 HG3 0.01 0.11 -0.00 -0.04 1.67 1.75 2gv1A4 ARG 71 HD2 0.01 0.05 -0.00 -0.04 3.22 3.24 2gv1A4 ARG 71 HD3 0.01 -0.10 0.00 -0.04 3.22 3.09 2gv1A4 VAL 72 H 0.03 0.28 -0.09 -0.55 8.24 7.91 2gv1A4 VAL 72 HA 0.01 0.14 0.59 -0.75 4.13 4.12 2gv1A4 VAL 72 HB 0.02 0.06 0.12 -0.04 2.12 2.28 2gv1A4 VAL 72 HG13 -0.01 0.01 -0.14 -0.04 0.97 0.78 2gv1A4 VAL 72 HG23 0.05 0.00 -0.08 -0.04 0.95 0.88 2gv1A4 GLU 73 H 0.04 0.31 0.12 -0.55 8.60 8.52 2gv1A4 GLU 73 HA 0.01 0.08 0.31 -0.75 4.29 3.94 2gv1A4 GLU 73 HB2 0.04 -0.11 -0.23 -0.04 2.09 1.75 2gv1A4 GLU 73 HB3 -0.03 0.00 -0.07 -0.04 1.99 1.85 2gv1A4 GLU 73 HG2 0.02 0.07 -0.01 -0.04 2.34 2.37 2gv1A4 GLU 73 HG3 -0.00 -0.07 0.00 -0.04 2.34 2.23 2gv1A4 ARG 74 H 0.12 0.30 0.02 -0.55 8.46 8.35 2gv1A4 ARG 74 HA 0.07 0.15 0.41 -0.75 4.34 4.21 2gv1A4 ARG 74 HB2 0.01 -0.09 -0.32 -0.04 1.90 1.45 2gv1A4 ARG 74 HB3 0.23 -0.03 -0.12 -0.04 1.80 1.85 2gv1A4 ARG 74 HG2 0.06 -0.03 0.12 -0.04 1.67 1.77 2gv1A4 ARG 74 HG3 0.01 0.25 0.19 -0.04 1.67 2.08 2gv1A4 ARG 74 HD2 0.02 -0.04 -0.04 -0.04 3.22 3.12 2gv1A4 ARG 74 HD3 0.00 0.01 0.01 -0.04 3.22 3.20 2gv1A4 VAL 75 H 0.09 0.24 0.13 -0.55 8.24 8.15 2gv1A4 VAL 75 HA 0.05 0.25 1.00 -0.75 4.13 4.67 2gv1A4 VAL 75 HB 0.02 0.01 0.10 -0.04 2.12 2.21 2gv1A4 VAL 75 HG13 -0.03 -0.01 -0.22 -0.04 0.97 0.67 2gv1A4 VAL 75 HG23 -0.02 0.01 -0.19 -0.04 0.95 0.71 2gv1A4 LEU 76 H 0.05 0.65 0.26 -0.55 8.37 8.79 2gv1A4 LEU 76 HA 0.13 0.15 0.88 -0.75 4.35 4.75 2gv1A4 LEU 76 HB2 0.21 -0.03 0.03 -0.04 1.64 1.81 2gv1A4 LEU 76 HB3 0.21 -0.07 0.19 -0.04 1.64 1.93 2gv1A4 LEU 76 HG 0.15 0.04 0.04 -0.04 1.64 1.83 2gv1A4 LEU 76 HD13 0.12 -0.01 -0.03 -0.04 0.93 0.97 2gv1A4 LEU 76 HD23 0.23 0.03 -0.22 -0.04 0.89 0.90 2gv1A4 SER 77 H 0.08 0.21 0.17 -0.55 8.46 8.37 2gv1A4 SER 77 HA -0.02 0.21 0.91 -0.75 4.49 4.83 2gv1A4 SER 77 HB2 0.02 0.00 0.06 -0.04 3.95 3.99 2gv1A4 SER 77 HB3 -0.02 0.03 -0.03 -0.04 3.93 3.87 2gv1A4 GLU 78 H -0.02 0.61 0.36 -0.55 8.60 9.00 2gv1A4 GLU 78 HA 0.09 0.15 0.77 -0.75 4.29 4.54 2gv1A4 GLU 78 HB2 0.27 0.01 0.02 -0.04 2.09 2.34 2gv1A4 GLU 78 HB3 0.19 0.10 0.02 -0.04 1.99 2.26 2gv1A4 GLU 78 HG2 0.15 0.03 0.06 -0.04 2.34 2.53 2gv1A4 GLU 78 HG3 0.25 -0.01 -0.39 -0.04 2.34 2.15 2gv1A4 PRO 79 HA 0.05 0.12 0.64 -0.51 4.44 4.74 2gv1A4 PRO 79 HB2 0.04 0.04 -0.03 -0.04 2.28 2.30 2gv1A4 PRO 79 HB3 0.03 0.02 0.09 -0.04 2.02 2.12 2gv1A4 PRO 79 HG2 0.06 0.01 0.15 -0.04 2.03 2.21 2gv1A4 PRO 79 HG3 0.04 0.04 0.09 -0.04 2.03 2.16 2gv1A4 PRO 79 HD2 0.09 0.09 0.25 -0.04 3.68 4.07 2gv1A4 PRO 79 HD3 0.05 0.14 0.18 -0.04 3.65 3.98 2gv1A4 HIS 80 H 0.11 0.63 0.31 -0.55 8.41 8.92 2gv1A4 HIS 80 HA 0.03 0.10 0.71 -0.75 4.63 4.72 2gv1A4 HIS 80 HB2 -0.09 -0.08 -0.46 -0.04 3.26 2.59 2gv1A4 HIS 80 HB3 -0.05 0.01 -0.41 -0.04 3.20 2.70 2gv1A4 HIS 80 HD2 -0.01 0.03 -0.11 -0.04 6.97 6.84 2gv1A4 HIS 80 HE1 0.05 -0.03 -0.10 -0.04 7.75 7.62 2gv1A4 HIS 81 H -0.01 0.16 -0.05 -0.55 8.41 7.97 2gv1A4 HIS 81 HA -0.05 0.19 0.82 -0.75 4.63 4.84 2gv1A4 HIS 81 HB2 -0.03 -0.01 -0.04 -0.04 3.26 3.14 2gv1A4 HIS 81 HB3 -0.05 -0.04 0.15 -0.04 3.20 3.22 2gv1A4 HIS 81 HD2 -0.02 -0.06 -0.01 -0.04 6.97 6.84 2gv1A4 HIS 81 HE1 -0.01 -0.03 0.01 -0.04 7.75 7.68 2gv1A4 PRO 82 HA -0.21 0.02 0.40 -0.51 4.44 4.15 2gv1A4 PRO 82 HB2 -0.03 0.12 -0.05 -0.04 2.28 2.28 2gv1A4 PRO 82 HB3 -0.06 -0.04 -0.01 -0.04 2.02 1.87 2gv1A4 PRO 82 HG2 -0.05 0.09 -0.06 -0.04 2.03 1.96 2gv1A4 PRO 82 HG3 0.09 -0.04 -0.06 -0.04 2.03 1.97 2gv1A4 PRO 82 HD2 -0.04 0.15 0.17 -0.04 3.68 3.91 2gv1A4 PRO 82 HD3 -0.12 0.06 -0.37 -0.04 3.65 3.17 2gv1A4 SER 83 H -0.09 0.04 0.13 -0.55 8.46 8.00 2gv1A4 SER 83 HA -0.14 0.11 0.62 -0.75 4.49 4.32 2gv1A4 SER 83 HB2 -0.05 -0.02 0.06 -0.04 3.95 3.90 2gv1A4 SER 83 HB3 -0.06 0.03 0.09 -0.04 3.93 3.94 2gv1A4 GLY 84 H -0.06 0.07 0.13 -0.55 8.43 8.02 2gv1A4 GLY 84 HA2 -0.03 0.00 0.32 -0.51 4.01 3.80 2gv1A4 GLY 84 HA3 -0.02 0.06 0.36 -0.51 4.01 3.90 2gv1A4 GLU 85 H -0.01 0.13 0.14 -0.55 8.60 8.32 2gv1A4 GLU 85 HA -0.00 0.12 0.82 -0.75 4.29 4.47 2gv1A4 GLU 85 HB2 0.00 0.11 0.04 -0.04 2.09 2.20 2gv1A4 GLU 85 HB3 -0.00 -0.02 0.02 -0.04 1.99 1.94 2gv1A4 GLU 85 HG2 -0.00 -0.08 0.10 -0.04 2.34 2.32 2gv1A4 GLU 85 HG3 0.00 0.03 -0.08 -0.04 2.34 2.25 2gv1A4 LEU 86 H 0.01 0.12 0.10 -0.55 8.37 8.05 2gv1A4 LEU 86 HA 0.02 0.08 0.67 -0.75 4.35 4.37 2gv1A4 LEU 86 HB2 0.04 -0.02 0.07 -0.04 1.64 1.69 2gv1A4 LEU 86 HB3 0.05 0.01 -0.12 -0.04 1.64 1.54 2gv1A4 LEU 86 HG 0.06 0.01 0.06 -0.04 1.64 1.72 2gv1A4 LEU 86 HD13 0.05 0.03 -0.13 -0.04 0.93 0.84 2gv1A4 LEU 86 HD23 0.10 -0.04 -0.02 -0.04 0.89 0.89 2gv1A4 THR 87 H 0.02 0.09 0.14 -0.55 8.28 7.98 2gv1A4 THR 87 HA 0.01 0.13 0.53 -0.75 4.39 4.30 2gv1A4 THR 87 HB 0.01 0.04 0.02 -0.04 4.32 4.34 2gv1A4 THR 87 HG23 0.00 0.02 0.02 -0.04 1.22 1.22 2gv1A4 ASP 88 H 0.02 0.06 0.13 -0.55 8.40 8.06 2gv1A4 ASP 88 HA 0.05 0.25 0.70 -0.75 4.63 4.88 2gv1A4 ASP 88 HB2 0.04 0.08 0.06 -0.04 2.71 2.85 2gv1A4 ASP 88 HB3 0.02 0.01 -0.19 -0.04 2.70 2.50 2gv1A4 PHE 89 H 0.17 0.23 0.14 -0.55 8.34 8.33 2gv1A4 PHE 89 HA 0.03 0.21 0.74 -0.75 4.62 4.86 2gv1A4 PHE 89 HB2 0.00 0.11 -0.08 -0.04 3.15 3.14 2gv1A4 PHE 89 HB3 -0.00 0.00 0.06 -0.04 3.06 3.08 2gv1A4 PHE 89 HD2 -0.00 0.05 -0.38 -0.04 7.28 6.91 2gv1A4 PHE 89 HE2 0.01 -0.08 -0.23 -0.04 7.38 7.04 2gv1A4 PHE 89 HZ 0.07 -0.12 -0.11 -0.04 7.32 7.13 2gv1A4 ARG 90 H -0.87 0.53 0.28 -0.55 8.46 7.84 2gv1A4 ARG 90 HA -0.24 0.14 0.67 -0.75 4.34 4.15 2gv1A4 ARG 90 HB2 -0.12 -0.04 0.14 -0.04 1.90 1.83 2gv1A4 ARG 90 HB3 -0.11 0.07 -0.31 -0.04 1.80 1.41 2gv1A4 ARG 90 HG2 -0.13 0.17 0.04 -0.04 1.67 1.71 2gv1A4 ARG 90 HG3 -0.13 -0.05 -0.11 -0.04 1.67 1.33 2gv1A4 ARG 90 HD2 -0.05 0.04 -0.09 -0.04 3.22 3.08 2gv1A4 ARG 90 HD3 -0.06 -0.03 -0.05 -0.04 3.22 3.04 2gv1A4 ILE 91 H -0.13 0.34 0.21 -0.55 8.25 8.12 2gv1A4 ILE 91 HA -0.08 0.00 0.55 -0.75 4.18 3.90 2gv1A4 ILE 91 HB -0.05 0.12 -0.17 -0.04 1.89 1.74 2gv1A4 ILE 91 HG12 0.04 -0.07 -0.00 -0.04 1.49 1.41 2gv1A4 ILE 91 HG13 0.05 0.12 0.19 -0.04 1.21 1.54 2gv1A4 ILE 91 HG23 0.02 0.00 -0.13 -0.04 0.93 0.78 2gv1A4 ILE 91 HD13 0.15 0.01 0.04 -0.04 0.88 1.03 2gv1A4 ARG 92 H 0.00 0.21 0.04 -0.55 8.46 8.15 2gv1A4 ARG 92 HA -0.03 0.18 0.52 -0.75 4.34 4.25 2gv1A4 ARG 92 HB2 -0.00 0.06 0.10 -0.04 1.90 2.02 2gv1A4 ARG 92 HB3 -0.03 0.00 0.08 -0.04 1.80 1.81 2gv1A4 ARG 92 HG2 0.03 0.04 0.15 -0.04 1.67 1.86 2gv1A4 ARG 92 HG3 0.03 0.03 0.10 -0.04 1.67 1.79 2gv1A4 ARG 92 HD2 0.02 -0.02 0.14 -0.04 3.22 3.32 2gv1A4 ARG 92 HD3 0.04 -0.04 0.15 -0.04 3.22 3.33