============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 6 1.000 12.666 39.870 53.434 -99.200 -91.000 TYR 10 0.840 3.251 30.696 54.988 -99.200 -91.000 PHE 18 1.000 18.691 32.905 44.929 -99.200 -91.000 HIS 31 0.900 25.837 30.918 52.554 -99.200 -91.000 PHE 45 1.000 14.182 30.083 47.849 -99.200 -91.000 PHE 48 1.000 23.388 25.458 39.266 -99.200 -91.000 TRP 53 1.040 23.893 27.664 33.999 -99.200 -91.000 TRP6 53 1.020 22.087 28.658 32.859 -99.200 -91.000 TYR 56 0.840 19.181 22.240 39.594 -99.200 -91.000 PHE 65 1.000 22.811 38.285 35.459 -99.200 -91.000 HIS 72 0.900 32.677 51.081 38.636 -99.200 -91.000 PHE 118 1.000 24.200 44.932 33.045 -99.200 -91.000 TYR 121 0.840 16.768 53.710 31.148 -99.200 -91.000 PHE 143 1.000 12.375 45.481 42.415 -99.200 -91.000 TYR 153 0.840 17.915 40.375 50.537 -99.200 -91.000 PHE 157 1.000 14.498 36.697 46.227 -99.200 -91.000 TRP 159 1.040 8.220 42.832 39.801 -99.200 -91.000 TRP6 159 1.020 9.767 41.472 38.621 -99.200 -91.000 TYR 163 0.840 5.168 38.659 37.067 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2gaoA1 SER 13 HA -0.33 -0.05 0.21 -0.75 4.49 3.57 2gaoA1 SER 13 HB2 -1.02 0.02 0.01 -0.04 3.95 2.91 2gaoA1 SER 13 HB3 -0.18 0.04 0.06 -0.04 3.93 3.81 2gaoA1 SER 14 H -0.08 0.23 0.10 -0.55 8.46 8.16 2gaoA1 SER 14 HA -0.09 0.05 0.17 -0.75 4.49 3.87 2gaoA1 SER 14 HB2 -0.05 0.03 0.06 -0.04 3.95 3.95 2gaoA1 SER 14 HB3 -0.06 0.02 0.10 -0.04 3.93 3.95 2gaoA1 VAL 15 H -0.01 0.13 -0.19 -0.55 8.24 7.62 2gaoA1 VAL 15 HA 0.03 0.12 0.50 -0.75 4.13 4.03 2gaoA1 VAL 15 HB 0.03 -0.04 0.05 -0.04 2.12 2.11 2gaoA1 VAL 15 HG13 -0.01 0.05 -0.16 -0.04 0.97 0.80 2gaoA1 VAL 15 HG23 -0.03 0.04 0.01 -0.04 0.95 0.93 2gaoA1 LEU 16 H 0.07 0.13 -0.15 -0.55 8.37 7.86 2gaoA1 LEU 16 HA 0.15 0.11 0.32 -0.75 4.35 4.17 2gaoA1 LEU 16 HB2 0.21 0.05 0.01 -0.04 1.64 1.88 2gaoA1 LEU 16 HB3 0.24 -0.04 -0.39 -0.04 1.64 1.40 2gaoA1 LEU 16 HG 0.17 -0.04 -0.05 -0.04 1.64 1.68 2gaoA1 LEU 16 HD13 0.20 0.08 -0.08 -0.04 0.93 1.08 2gaoA1 LEU 16 HD23 0.29 0.02 -0.14 -0.04 0.89 1.02 2gaoA1 GLN 17 H -0.03 0.69 -0.19 -0.55 8.47 8.40 2gaoA1 GLN 17 HA 0.06 -0.02 0.40 -0.75 4.36 4.04 2gaoA1 GLN 17 HB2 -0.07 0.06 0.00 -0.04 2.15 2.10 2gaoA1 GLN 17 HB3 -0.02 0.00 -0.05 -0.04 2.02 1.91 2gaoA1 GLN 17 HG2 -0.07 -0.01 -0.01 -0.04 2.40 2.27 2gaoA1 GLN 17 HG3 -0.53 0.05 -0.00 -0.04 2.39 1.87 2gaoA1 GLN 17 HE21 -0.07 -0.01 -0.05 -0.04 6.97 6.80 2gaoA1 GLN 17 HE22 0.00 0.02 -0.04 -0.04 7.69 7.63 2gaoA1 PHE 18 H 0.16 0.39 -0.30 -0.55 8.34 8.04 2gaoA1 PHE 18 HA -0.02 0.02 0.43 -0.75 4.62 4.29 2gaoA1 PHE 18 HB2 -0.05 -0.02 0.13 -0.04 3.15 3.17 2gaoA1 PHE 18 HB3 -0.05 0.18 0.20 -0.04 3.06 3.35 2gaoA1 PHE 18 HD2 -0.07 0.06 -0.03 -0.04 7.28 7.20 2gaoA1 PHE 18 HE2 -0.04 -0.04 -0.07 -0.04 7.38 7.20 2gaoA1 PHE 18 HZ -0.42 -0.18 -0.05 -0.04 7.32 6.63 2gaoA1 LEU 19 H 0.05 0.24 -0.47 -0.55 8.37 7.64 2gaoA1 LEU 19 HA -0.23 0.08 0.54 -0.75 4.35 3.98 2gaoA1 LEU 19 HB2 0.09 0.02 -0.01 -0.04 1.64 1.69 2gaoA1 LEU 19 HB3 0.08 -0.02 -0.02 -0.04 1.64 1.64 2gaoA1 LEU 19 HG 0.04 0.20 -0.06 -0.04 1.64 1.78 2gaoA1 LEU 19 HD13 -0.20 -0.02 -0.16 -0.04 0.93 0.51 2gaoA1 LEU 19 HD23 -0.62 -0.02 -0.17 -0.04 0.89 0.04 2gaoA1 GLY 20 H 0.01 0.26 -0.36 -0.55 8.43 7.79 2gaoA1 GLY 20 HA2 0.03 -0.01 0.28 -0.51 4.01 3.80 2gaoA1 GLY 20 HA3 0.01 0.13 0.59 -0.51 4.01 4.23 2gaoA1 LEU 21 H 0.12 0.63 -0.00 -0.55 8.37 8.57 2gaoA1 LEU 21 HA 0.09 0.32 0.57 -0.75 4.35 4.57 2gaoA1 LEU 21 HB2 0.21 -0.07 -0.08 -0.04 1.64 1.66 2gaoA1 LEU 21 HB3 0.16 -0.04 -0.03 -0.04 1.64 1.69 2gaoA1 LEU 21 HG 0.19 0.14 -0.52 -0.04 1.64 1.41 2gaoA1 LEU 21 HD13 0.42 -0.03 -0.19 -0.04 0.93 1.09 2gaoA1 LEU 21 HD23 0.10 0.05 -0.23 -0.04 0.89 0.77 2gaoA1 TYR 22 H 0.21 0.12 -0.27 -0.55 8.29 7.80 2gaoA1 TYR 22 HA 0.04 -0.04 0.34 -0.75 4.56 4.15 2gaoA1 TYR 22 HB2 0.04 -0.07 -0.16 -0.04 3.06 2.83 2gaoA1 TYR 22 HB3 0.02 0.08 -0.02 -0.04 2.98 3.02 2gaoA1 TYR 22 HD2 0.03 -0.01 -0.01 -0.04 7.15 7.12 2gaoA1 TYR 22 HE2 0.02 0.02 -0.00 -0.04 6.85 6.84 2gaoA1 LYS 23 H -0.19 0.06 0.20 -0.55 8.42 7.94 2gaoA1 LYS 23 HA -0.22 -0.05 0.32 -0.75 4.32 3.62 2gaoA1 LYS 23 HB2 -0.17 0.23 0.09 -0.04 1.87 1.98 2gaoA1 LYS 23 HB3 -0.18 -0.03 0.17 -0.04 1.79 1.71 2gaoA1 LYS 23 HG2 -1.01 -0.12 -0.38 -0.04 1.46 -0.10 2gaoA1 LYS 23 HG3 -0.32 0.02 -0.09 -0.04 1.46 1.02 2gaoA1 LYS 23 HD2 -0.27 0.02 0.03 -0.04 1.69 1.44 2gaoA1 LYS 23 HD3 -0.65 -0.04 0.03 -0.04 1.68 0.97 2gaoA1 LYS 23 HE2 -0.54 -0.02 -0.04 -0.04 2.99 2.36 2gaoA1 LYS 23 HE3 -0.20 0.02 -0.02 -0.04 2.99 2.75 2gaoA1 LYS 24 H 0.00 0.43 -0.36 -0.55 8.42 7.94 2gaoA1 LYS 24 HA -0.02 0.12 0.75 -0.75 4.32 4.41 2gaoA1 LYS 24 HB2 0.03 0.08 -0.06 -0.04 1.87 1.87 2gaoA1 LYS 24 HB3 0.00 -0.00 -0.15 -0.04 1.79 1.60 2gaoA1 LYS 24 HG2 -0.01 -0.05 -0.09 -0.04 1.46 1.27 2gaoA1 LYS 24 HG3 0.01 0.03 -0.29 -0.04 1.46 1.17 2gaoA1 LYS 24 HD2 0.03 -0.12 -0.05 -0.04 1.69 1.50 2gaoA1 LYS 24 HD3 -0.00 0.14 -0.11 -0.04 1.68 1.67 2gaoA1 LYS 24 HE2 -0.00 -0.11 -0.00 -0.04 2.99 2.84 2gaoA1 LYS 24 HE3 -0.02 0.09 0.06 -0.04 2.99 3.09 2gaoA1 SER 25 H -0.02 0.20 0.15 -0.55 8.46 8.24 2gaoA1 SER 25 HA -0.03 0.21 0.82 -0.75 4.49 4.74 2gaoA1 SER 25 HB2 -0.02 -0.04 0.12 -0.04 3.95 3.97 2gaoA1 SER 25 HB3 -0.02 0.04 0.04 -0.04 3.93 3.94 2gaoA1 GLY 26 H -0.05 0.67 0.32 -0.55 8.43 8.83 2gaoA1 GLY 26 HA2 -0.02 0.08 0.43 -0.51 4.01 3.98 2gaoA1 GLY 26 HA3 -0.03 0.08 0.46 -0.51 4.01 4.02 2gaoA1 LYS 27 H -0.01 0.24 0.25 -0.55 8.42 8.34 2gaoA1 LYS 27 HA -0.11 0.26 1.09 -0.75 4.32 4.81 2gaoA1 LYS 27 HB2 0.05 0.17 0.16 -0.04 1.87 2.22 2gaoA1 LYS 27 HB3 0.08 -0.01 -0.05 -0.04 1.79 1.77 2gaoA1 LYS 27 HG2 -0.03 0.08 -0.17 -0.04 1.46 1.30 2gaoA1 LYS 27 HG3 -0.01 -0.03 -0.25 -0.04 1.46 1.13 2gaoA1 LYS 27 HD2 0.01 0.07 -0.06 -0.04 1.69 1.67 2gaoA1 LYS 27 HD3 0.08 -0.04 -0.09 -0.04 1.68 1.59 2gaoA1 LYS 27 HE2 -0.03 -0.03 -0.05 -0.04 2.99 2.83 2gaoA1 LYS 27 HE3 0.00 -0.03 -0.06 -0.04 2.99 2.86 2gaoA1 LEU 28 H -0.12 0.71 0.42 -0.55 8.37 8.83 2gaoA1 LEU 28 HA 0.11 0.27 1.06 -0.75 4.35 5.03 2gaoA1 LEU 28 HB2 0.28 -0.07 0.08 -0.04 1.64 1.89 2gaoA1 LEU 28 HB3 0.35 0.01 -0.07 -0.04 1.64 1.88 2gaoA1 LEU 28 HG 0.04 -0.02 -0.21 -0.04 1.64 1.41 2gaoA1 LEU 28 HD13 0.48 -0.00 -0.18 -0.04 0.93 1.19 2gaoA1 LEU 28 HD23 0.09 0.03 -0.23 -0.04 0.89 0.74 2gaoA1 VAL 29 H 0.16 0.62 0.37 -0.55 8.24 8.85 2gaoA1 VAL 29 HA 0.02 0.27 1.09 -0.75 4.13 4.76 2gaoA1 VAL 29 HB 0.19 0.01 -0.00 -0.04 2.12 2.28 2gaoA1 VAL 29 HG13 0.17 0.02 0.04 -0.04 0.97 1.15 2gaoA1 VAL 29 HG23 0.22 -0.00 -0.14 -0.04 0.95 0.99 2gaoA1 PHE 30 H 0.01 0.72 0.35 -0.55 8.34 8.87 2gaoA1 PHE 30 HA 0.00 0.26 1.08 -0.75 4.62 5.21 2gaoA1 PHE 30 HB2 -0.05 -0.11 0.12 -0.04 3.15 3.07 2gaoA1 PHE 30 HB3 -0.05 -0.06 0.03 -0.04 3.06 2.93 2gaoA1 PHE 30 HD2 0.03 0.04 -0.32 -0.04 7.28 6.98 2gaoA1 PHE 30 HE2 0.21 0.01 -0.20 -0.04 7.38 7.35 2gaoA1 PHE 30 HZ 0.09 0.04 -0.17 -0.04 7.32 7.24 2gaoA1 LEU 31 H 0.01 0.77 0.46 -0.55 8.37 9.07 2gaoA1 LEU 31 HA -0.13 0.38 0.98 -0.75 4.35 4.83 2gaoA1 LEU 31 HB2 0.01 0.01 -0.05 -0.04 1.64 1.57 2gaoA1 LEU 31 HB3 -0.25 -0.10 0.08 -0.04 1.64 1.32 2gaoA1 LEU 31 HG -0.04 -0.02 -0.40 -0.04 1.64 1.14 2gaoA1 LEU 31 HD13 -0.45 0.01 -0.12 -0.04 0.93 0.33 2gaoA1 LEU 31 HD23 -0.34 0.03 -0.16 -0.04 0.89 0.38 2gaoA1 GLY 32 H -0.26 0.18 0.25 -0.55 8.43 8.05 2gaoA1 GLY 32 HA2 -0.89 0.03 0.42 -0.51 4.01 3.07 2gaoA1 GLY 32 HA3 -0.65 0.26 0.92 -0.51 4.01 4.03 2gaoA1 LEU 33 H -0.18 0.14 0.23 -0.55 8.37 8.02 2gaoA1 LEU 33 HA -0.04 0.18 0.50 -0.75 4.35 4.24 2gaoA1 LEU 33 HB2 -0.04 -0.04 0.11 -0.04 1.64 1.63 2gaoA1 LEU 33 HB3 -0.01 0.08 0.17 -0.04 1.64 1.83 2gaoA1 LEU 33 HG 0.04 -0.06 0.14 -0.04 1.64 1.72 2gaoA1 LEU 33 HD13 0.04 -0.02 0.04 -0.04 0.93 0.95 2gaoA1 LEU 33 HD23 0.03 0.01 -0.02 -0.04 0.89 0.87 2gaoA1 ASP 34 H -0.02 0.23 0.22 -0.55 8.40 8.27 2gaoA1 ASP 34 HA -0.03 0.01 0.59 -0.75 4.63 4.44 2gaoA1 ASP 34 HB2 -0.01 -0.01 0.09 -0.04 2.71 2.74 2gaoA1 ASP 34 HB3 -0.00 0.08 0.18 -0.04 2.70 2.92 2gaoA1 ASN 35 H -0.03 0.11 0.15 -0.55 8.53 8.21 2gaoA1 ASN 35 HA -0.03 -0.01 0.30 -0.75 4.76 4.28 2gaoA1 ASN 35 HB2 -0.01 -0.01 -0.31 -0.04 2.88 2.51 2gaoA1 ASN 35 HB3 -0.02 0.14 0.15 -0.04 2.79 3.02 2gaoA1 ASN 35 HD21 -0.01 -0.00 0.01 -0.04 7.03 6.99 2gaoA1 ASN 35 HD22 -0.01 0.00 0.00 -0.04 7.74 7.69 2gaoA1 ALA 36 H -0.07 0.33 -0.31 -0.55 8.40 7.80 2gaoA1 ALA 36 HA -0.07 0.04 0.27 -0.75 4.34 3.83 2gaoA1 ALA 36 HB3 -0.14 0.00 -0.12 -0.04 1.41 1.11 2gaoA1 GLY 37 H -0.07 -0.09 -0.11 -0.55 8.43 7.62 2gaoA1 GLY 37 HA2 -0.05 0.03 0.15 -0.51 4.01 3.63 2gaoA1 GLY 37 HA3 -0.07 0.19 0.78 -0.51 4.01 4.41 2gaoA1 LYS 38 H -0.07 0.03 0.04 -0.55 8.42 7.86 2gaoA1 LYS 38 HA -0.07 0.13 0.11 -0.75 4.32 3.74 2gaoA1 LYS 38 HB2 0.10 0.11 -0.08 -0.04 1.87 1.96 2gaoA1 LYS 38 HB3 -0.07 0.06 -0.08 -0.04 1.79 1.66 2gaoA1 LYS 38 HG2 -0.06 -0.21 -0.00 -0.04 1.46 1.15 2gaoA1 LYS 38 HG3 -0.04 0.04 -0.21 -0.04 1.46 1.22 2gaoA1 LYS 38 HD2 -0.05 -0.01 -0.27 -0.04 1.69 1.31 2gaoA1 LYS 38 HD3 -0.02 0.22 -0.17 -0.04 1.68 1.67 2gaoA1 LYS 38 HE2 -0.12 0.21 -0.16 -0.04 2.99 2.88 2gaoA1 LYS 38 HE3 -0.13 -0.05 -0.33 -0.04 2.99 2.43 2gaoA1 THR 39 H -0.08 0.04 -0.07 -0.55 8.28 7.62 2gaoA1 THR 39 HA -0.23 0.18 0.56 -0.75 4.39 4.15 2gaoA1 THR 39 HB -0.27 0.10 0.04 -0.04 4.32 4.15 2gaoA1 THR 39 HG23 -0.10 0.02 -0.06 -0.04 1.22 1.04 2gaoA1 THR 40 H -0.08 -0.02 -0.31 -0.55 8.28 7.33 2gaoA1 THR 40 HA 0.04 0.13 0.40 -0.75 4.39 4.20 2gaoA1 THR 40 HB -0.05 0.09 0.01 -0.04 4.32 4.33 2gaoA1 THR 40 HG23 0.00 0.01 -0.15 -0.04 1.22 1.05 2gaoA1 LEU 41 H -0.11 0.39 -0.23 -0.55 8.37 7.88 2gaoA1 LEU 41 HA -0.26 0.02 0.32 -0.75 4.35 3.67 2gaoA1 LEU 41 HB2 -0.24 -0.05 0.01 -0.04 1.64 1.31 2gaoA1 LEU 41 HB3 -0.13 0.14 0.07 -0.04 1.64 1.68 2gaoA1 LEU 41 HG -0.29 0.08 -0.34 -0.04 1.64 1.05 2gaoA1 LEU 41 HD13 -0.82 -0.02 -0.08 -0.04 0.93 -0.03 2gaoA1 LEU 41 HD23 -0.43 -0.01 -0.14 -0.04 0.89 0.27 2gaoA1 LEU 42 H -0.03 0.43 -0.20 -0.55 8.37 8.03 2gaoA1 LEU 42 HA 0.05 0.03 0.28 -0.75 4.35 3.95 2gaoA1 LEU 42 HB2 0.02 0.04 0.00 -0.04 1.64 1.67 2gaoA1 LEU 42 HB3 -0.24 0.05 0.08 -0.04 1.64 1.49 2gaoA1 LEU 42 HG -0.06 0.01 -0.14 -0.04 1.64 1.41 2gaoA1 LEU 42 HD13 -0.22 0.01 -0.17 -0.04 0.93 0.51 2gaoA1 LEU 42 HD23 -0.13 -0.01 -0.30 -0.04 0.89 0.42 2gaoA1 HIS 43 H -0.21 0.41 -0.33 -0.55 8.41 7.74 2gaoA1 HIS 43 HA -0.04 0.05 0.42 -0.75 4.63 4.31 2gaoA1 HIS 43 HB2 -0.03 0.04 0.11 -0.04 3.26 3.34 2gaoA1 HIS 43 HB3 -0.03 -0.03 0.00 -0.04 3.20 3.10 2gaoA1 HIS 43 HD2 -0.03 0.03 -0.14 -0.04 6.97 6.79 2gaoA1 HIS 43 HE1 -0.02 -0.06 -0.12 -0.04 7.75 7.50 2gaoA1 MET 44 H -0.02 0.43 -0.23 -0.55 8.47 8.10 2gaoA1 MET 44 HA 0.00 0.02 0.50 -0.75 4.52 4.29 2gaoA1 MET 44 HB2 -0.13 0.10 0.09 -0.04 2.15 2.17 2gaoA1 MET 44 HB3 0.06 -0.07 0.03 -0.04 2.03 2.02 2gaoA1 MET 44 HG2 -0.02 0.23 -0.02 -0.04 2.63 2.77 2gaoA1 MET 44 HG3 0.01 -0.05 -0.03 -0.04 2.56 2.45 2gaoA1 MET 44 HE3 0.02 -0.02 -0.05 -0.04 2.10 2.01 2gaoA1 LEU 45 H -0.09 0.34 -0.37 -0.55 8.37 7.70 2gaoA1 LEU 45 HA -0.08 0.06 0.39 -0.75 4.35 3.96 2gaoA1 LEU 45 HB2 -0.23 0.11 0.02 -0.04 1.64 1.50 2gaoA1 LEU 45 HB3 -0.29 -0.06 -0.05 -0.04 1.64 1.20 2gaoA1 LEU 45 HG -0.18 0.14 -0.11 -0.04 1.64 1.45 2gaoA1 LEU 45 HD13 -0.53 -0.02 -0.14 -0.04 0.93 0.19 2gaoA1 LEU 45 HD23 -0.26 -0.03 -0.21 -0.04 0.89 0.35 2gaoA1 THR 60 HA 0.00 -0.11 0.18 -0.75 4.39 3.71 2gaoA1 THR 60 HB 0.04 0.03 -0.03 -0.04 4.32 4.32 2gaoA1 THR 60 HG23 0.05 -0.02 0.06 -0.04 1.22 1.27 2gaoA1 SER 61 H -0.03 0.29 0.14 -0.55 8.46 8.31 2gaoA1 SER 61 HA -0.26 0.17 0.59 -0.75 4.49 4.23 2gaoA1 SER 61 HB2 -0.11 -0.04 0.08 -0.04 3.95 3.83 2gaoA1 SER 61 HB3 -0.09 -0.05 0.10 -0.04 3.93 3.85 2gaoA1 GLU 62 H -0.28 0.19 0.21 -0.55 8.60 8.17 2gaoA1 GLU 62 HA -0.09 0.20 0.95 -0.75 4.29 4.60 2gaoA1 GLU 62 HB2 -0.15 -0.09 -0.24 -0.04 2.09 1.57 2gaoA1 GLU 62 HB3 -0.06 0.08 0.79 -0.04 1.99 2.76 2gaoA1 GLU 62 HG2 -0.02 0.15 -0.02 -0.04 2.34 2.41 2gaoA1 GLU 62 HG3 -0.08 -0.09 -0.36 -0.04 2.34 1.77 2gaoA1 GLU 63 H -0.05 0.25 0.25 -0.55 8.60 8.51 2gaoA1 GLU 63 HA -0.10 0.40 1.19 -0.75 4.29 5.03 2gaoA1 GLU 63 HB2 -0.05 -0.04 -0.12 -0.04 2.09 1.85 2gaoA1 GLU 63 HB3 0.00 -0.03 0.06 -0.04 1.99 1.99 2gaoA1 GLU 63 HG2 0.04 -0.04 -0.25 -0.04 2.34 2.05 2gaoA1 GLU 63 HG3 0.02 0.12 -0.04 -0.04 2.34 2.40 2gaoA1 LEU 64 H 0.03 0.71 0.38 -0.55 8.37 8.95 2gaoA1 LEU 64 HA 0.06 0.12 0.84 -0.75 4.35 4.61 2gaoA1 LEU 64 HB2 0.03 0.02 -0.05 -0.04 1.64 1.59 2gaoA1 LEU 64 HB3 0.09 -0.04 0.10 -0.04 1.64 1.75 2gaoA1 LEU 64 HG 0.18 0.00 -0.39 -0.04 1.64 1.39 2gaoA1 LEU 64 HD13 0.05 0.00 -0.00 -0.04 0.93 0.93 2gaoA1 LEU 64 HD23 -0.11 0.03 -0.07 -0.04 0.89 0.70 2gaoA1 THR 65 H 0.07 0.21 0.15 -0.55 8.28 8.16 2gaoA1 THR 65 HA 0.08 0.36 1.05 -0.75 4.39 5.12 2gaoA1 THR 65 HB 0.04 -0.07 0.11 -0.04 4.32 4.37 2gaoA1 THR 65 HG23 0.02 0.01 -0.14 -0.04 1.22 1.07 2gaoA1 ILE 66 H 0.13 0.75 0.14 -0.55 8.25 8.73 2gaoA1 ILE 66 HA 0.09 0.09 0.69 -0.75 4.18 4.30 2gaoA1 ILE 66 HB 0.26 0.01 0.09 -0.04 1.89 2.21 2gaoA1 ILE 66 HG12 0.09 0.02 0.01 -0.04 1.49 1.56 2gaoA1 ILE 66 HG13 0.17 -0.02 -0.38 -0.04 1.21 0.94 2gaoA1 ILE 66 HG23 0.12 -0.04 -0.10 -0.04 0.93 0.87 2gaoA1 ILE 66 HD13 0.10 0.01 -0.10 -0.04 0.88 0.84 2gaoA1 ALA 67 H 0.06 0.12 0.04 -0.55 8.40 8.07 2gaoA1 ALA 67 HA 0.04 0.03 0.34 -0.75 4.34 4.00 2gaoA1 ALA 67 HB3 0.06 0.04 0.07 -0.04 1.41 1.54 2gaoA1 GLY 68 H 0.02 0.10 0.24 -0.55 8.43 8.23 2gaoA1 GLY 68 HA2 -0.01 0.04 0.45 -0.51 4.01 3.99 2gaoA1 GLY 68 HA3 -0.01 0.05 0.41 -0.51 4.01 3.95 2gaoA1 MET 69 H 0.01 0.51 -0.13 -0.55 8.47 8.31 2gaoA1 MET 69 HA -0.15 0.23 0.88 -0.75 4.52 4.72 2gaoA1 MET 69 HB2 0.05 0.01 0.11 -0.04 2.15 2.28 2gaoA1 MET 69 HB3 -0.56 -0.04 -0.16 -0.04 2.03 1.23 2gaoA1 MET 69 HG2 0.03 0.11 -0.09 -0.04 2.63 2.64 2gaoA1 MET 69 HG3 0.09 -0.08 -0.12 -0.04 2.56 2.41 2gaoA1 MET 69 HE3 -0.20 0.01 -0.33 -0.04 2.10 1.53 2gaoA1 THR 70 H -0.26 0.68 0.47 -0.55 8.28 8.61 2gaoA1 THR 70 HA -0.11 0.25 1.10 -0.75 4.39 4.88 2gaoA1 THR 70 HB -0.05 0.01 0.16 -0.04 4.32 4.40 2gaoA1 THR 70 HG23 0.04 -0.02 -0.14 -0.04 1.22 1.05 2gaoA1 PHE 71 H 0.06 0.70 0.37 -0.55 8.34 8.92 2gaoA1 PHE 71 HA -0.18 0.25 0.98 -0.75 4.62 4.91 2gaoA1 PHE 71 HB2 -0.24 -0.07 0.10 -0.04 3.15 2.90 2gaoA1 PHE 71 HB3 -0.70 -0.03 -0.03 -0.04 3.06 2.26 2gaoA1 PHE 71 HD2 0.17 0.05 -0.13 -0.04 7.28 7.32 2gaoA1 PHE 71 HE2 0.17 0.01 -0.19 -0.04 7.38 7.33 2gaoA1 PHE 71 HZ 0.10 -0.01 -0.18 -0.04 7.32 7.19 2gaoA1 THR 72 H -0.22 0.58 0.35 -0.55 8.28 8.43 2gaoA1 THR 72 HA -0.27 0.32 1.11 -0.75 4.39 4.80 2gaoA1 THR 72 HB -0.22 -0.00 0.06 -0.04 4.32 4.12 2gaoA1 THR 72 HG23 -0.70 0.01 -0.09 -0.04 1.22 0.40 2gaoA1 THR 73 H -0.42 0.48 0.35 -0.55 8.28 8.14 2gaoA1 THR 73 HA -0.14 0.28 1.11 -0.75 4.39 4.89 2gaoA1 THR 73 HB -0.09 -0.04 -0.06 -0.04 4.32 4.09 2gaoA1 THR 73 HG23 -0.08 0.01 -0.24 -0.04 1.22 0.86 2gaoA1 PHE 74 H -0.00 0.67 0.36 -0.55 8.34 8.81 2gaoA1 PHE 74 HA -0.04 0.18 0.68 -0.75 4.62 4.69 2gaoA1 PHE 74 HB2 -0.17 -0.01 -0.03 -0.04 3.15 2.90 2gaoA1 PHE 74 HB3 -0.01 0.03 -0.07 -0.04 3.06 2.96 2gaoA1 PHE 74 HD2 -0.00 0.01 -0.10 -0.04 7.28 7.15 2gaoA1 PHE 74 HE2 -0.38 0.01 -0.10 -0.04 7.38 6.88 2gaoA1 PHE 74 HZ -0.56 0.02 -0.12 -0.04 7.32 6.62 2gaoA1 ASP 75 H 0.11 0.21 0.16 -0.55 8.40 8.33 2gaoA1 ASP 75 HA -0.05 0.18 0.63 -0.75 4.63 4.64 2gaoA1 ASP 75 HB2 0.05 0.03 0.18 -0.04 2.71 2.92 2gaoA1 ASP 75 HB3 0.01 0.02 0.07 -0.04 2.70 2.76 2gaoA1 LEU 76 H -0.09 0.56 0.13 -0.55 8.37 8.43 2gaoA1 LEU 76 HA -0.01 0.26 0.72 -0.75 4.35 4.57 2gaoA1 LEU 76 HB2 -0.06 -0.13 -0.06 -0.04 1.64 1.34 2gaoA1 LEU 76 HB3 0.01 0.06 0.05 -0.04 1.64 1.72 2gaoA1 LEU 76 HG -0.38 -0.04 -0.08 -0.04 1.64 1.11 2gaoA1 LEU 76 HD13 -0.11 0.02 -0.05 -0.04 0.93 0.75 2gaoA1 LEU 76 HD23 -0.78 0.05 -0.08 -0.04 0.89 0.05 2gaoA1 ARG 84 HA -0.07 -0.02 0.21 -0.75 4.34 3.71 2gaoA1 ARG 84 HB2 -0.14 0.02 -0.01 -0.04 1.90 1.74 2gaoA1 ARG 84 HB3 -0.26 -0.00 0.12 -0.04 1.80 1.62 2gaoA1 ARG 84 HG2 0.04 -0.01 0.06 -0.04 1.67 1.72 2gaoA1 ARG 84 HG3 -0.01 0.00 0.04 -0.04 1.67 1.66 2gaoA1 ARG 84 HD2 -0.06 0.01 0.00 -0.04 3.22 3.13 2gaoA1 ARG 84 HD3 -0.06 0.01 0.02 -0.04 3.22 3.15 2gaoA1 VAL 85 H -0.04 0.26 0.12 -0.55 8.24 8.03 2gaoA1 VAL 85 HA -0.15 0.09 0.40 -0.75 4.13 3.72 2gaoA1 VAL 85 HB 0.03 0.01 0.11 -0.04 2.12 2.22 2gaoA1 VAL 85 HG13 0.08 0.01 -0.08 -0.04 0.97 0.94 2gaoA1 VAL 85 HG23 0.02 0.02 0.05 -0.04 0.95 1.00 2gaoA1 TRP 86 H -0.26 0.13 -0.26 -0.55 7.97 7.03 2gaoA1 TRP 86 HA -1.57 0.06 0.28 -0.75 4.62 2.64 2gaoA1 TRP 86 HB2 -0.68 0.04 -0.05 -0.04 3.23 2.49 2gaoA1 TRP 86 HB3 -1.40 -0.01 -0.02 -0.04 3.23 1.76 2gaoA1 TRP 86 HD1 -0.16 0.01 -0.11 -0.04 7.22 6.92 2gaoA1 TRP 86 HE1 -0.03 0.01 0.02 -0.04 10.20 10.16 2gaoA1 TRP 86 HE3 -0.07 -0.02 -0.33 -0.04 7.59 7.13 2gaoA1 TRP 86 HZ2 0.01 -0.01 -0.04 -0.04 7.44 7.35 2gaoA1 TRP 86 HZ3 0.02 0.06 -0.12 -0.04 7.13 7.05 2gaoA1 TRP 86 HH2 0.02 0.05 -0.08 -0.04 7.19 7.14 2gaoA1 LYS 87 H -1.06 0.36 -0.57 -0.55 8.42 6.59 2gaoA1 LYS 87 HA -0.63 0.04 0.41 -0.75 4.32 3.38 2gaoA1 LYS 87 HB2 -0.60 0.19 0.07 -0.04 1.87 1.49 2gaoA1 LYS 87 HB3 -0.49 -0.01 0.03 -0.04 1.79 1.28 2gaoA1 LYS 87 HG2 -1.36 0.00 -0.02 -0.04 1.46 0.04 2gaoA1 LYS 87 HG3 -2.83 -0.11 -0.05 -0.04 1.46 -1.57 2gaoA1 LYS 87 HD2 -0.55 -0.05 0.01 -0.04 1.69 1.06 2gaoA1 LYS 87 HD3 -0.52 0.10 0.06 -0.04 1.68 1.27 2gaoA1 LYS 87 HE2 -0.22 -0.01 -0.00 -0.04 2.99 2.72 2gaoA1 LYS 87 HE3 -0.33 0.00 -0.01 -0.04 2.99 2.61 2gaoA1 ASN 88 H -0.19 0.49 -0.15 -0.55 8.53 8.13 2gaoA1 ASN 88 HA -0.07 0.05 0.45 -0.75 4.76 4.43 2gaoA1 ASN 88 HB2 0.07 0.08 0.08 -0.04 2.88 3.07 2gaoA1 ASN 88 HB3 -0.02 -0.03 0.01 -0.04 2.79 2.72 2gaoA1 ASN 88 HD21 -0.03 -0.05 0.03 -0.04 7.03 6.93 2gaoA1 ASN 88 HD22 0.02 -0.00 0.05 -0.04 7.74 7.77 2gaoA1 TYR 89 H 0.25 0.25 -0.33 -0.55 8.29 7.91 2gaoA1 TYR 89 HA 0.03 0.04 0.43 -0.75 4.56 4.31 2gaoA1 TYR 89 HB2 0.12 0.27 0.09 -0.04 3.06 3.50 2gaoA1 TYR 89 HB3 0.13 -0.02 -0.13 -0.04 2.98 2.92 2gaoA1 TYR 89 HD2 0.10 0.01 -0.10 -0.04 7.15 7.13 2gaoA1 TYR 89 HE2 0.16 -0.02 -0.10 -0.04 6.85 6.85 2gaoA1 LEU 90 H 0.09 0.17 -0.26 -0.55 8.37 7.82 2gaoA1 LEU 90 HA 0.16 -0.05 0.14 -0.75 4.35 3.85 2gaoA1 LEU 90 HB2 -0.02 0.18 0.08 -0.04 1.64 1.84 2gaoA1 LEU 90 HB3 0.05 0.02 -0.09 -0.04 1.64 1.58 2gaoA1 LEU 90 HG 0.00 -0.02 0.08 -0.04 1.64 1.66 2gaoA1 LEU 90 HD13 -0.15 -0.02 -0.04 -0.04 0.93 0.69 2gaoA1 LEU 90 HD23 0.42 -0.01 -0.06 -0.04 0.89 1.19 2gaoA1 PRO 91 HA 0.02 0.08 0.52 -0.51 4.44 4.55 2gaoA1 PRO 91 HB2 -0.01 0.01 0.03 -0.04 2.28 2.27 2gaoA1 PRO 91 HB3 -0.01 -0.03 0.09 -0.04 2.02 2.04 2gaoA1 PRO 91 HG2 -0.02 0.02 0.03 -0.04 2.03 2.01 2gaoA1 PRO 91 HG3 -0.02 -0.02 0.05 -0.04 2.03 2.00 2gaoA1 PRO 91 HD2 0.00 0.24 -0.51 -0.04 3.68 3.38 2gaoA1 PRO 91 HD3 -0.01 0.12 -0.05 -0.04 3.65 3.67 2gaoA1 ALA 92 H 0.03 0.50 -0.09 -0.55 8.40 8.29 2gaoA1 ALA 92 HA 0.01 0.14 0.68 -0.75 4.34 4.42 2gaoA1 ALA 92 HB3 -0.01 -0.03 0.08 -0.04 1.41 1.41 2gaoA1 ILE 93 H 0.08 0.49 -0.44 -0.55 8.25 7.83 2gaoA1 ILE 93 HA 0.10 0.03 0.59 -0.75 4.18 4.15 2gaoA1 ILE 93 HB 0.13 0.17 0.06 -0.04 1.89 2.21 2gaoA1 ILE 93 HG12 0.20 0.08 -0.57 -0.04 1.49 1.17 2gaoA1 ILE 93 HG13 0.24 -0.07 -0.22 -0.04 1.21 1.12 2gaoA1 ILE 93 HG23 0.13 -0.03 -0.13 -0.04 0.93 0.86 2gaoA1 ILE 93 HD13 0.24 -0.02 -0.30 -0.04 0.88 0.76 2gaoA1 ASN 94 H 0.06 0.56 0.44 -0.55 8.53 9.04 2gaoA1 ASN 94 HA 0.04 0.21 0.86 -0.75 4.76 5.12 2gaoA1 ASN 94 HB2 0.03 -0.06 0.12 -0.04 2.88 2.93 2gaoA1 ASN 94 HB3 0.02 0.02 0.22 -0.04 2.79 3.01 2gaoA1 ASN 94 HD21 0.01 -0.02 -0.01 -0.04 7.03 6.97 2gaoA1 ASN 94 HD22 0.02 0.08 0.03 -0.04 7.74 7.82 2gaoA1 GLY 95 H 0.08 0.19 0.25 -0.55 8.43 8.41 2gaoA1 GLY 95 HA2 0.07 0.30 0.54 -0.51 4.01 4.40 2gaoA1 GLY 95 HA3 0.07 -0.00 0.28 -0.51 4.01 3.85 2gaoA1 ILE 96 H 0.09 0.73 0.29 -0.55 8.25 8.81 2gaoA1 ILE 96 HA 0.15 0.19 1.05 -0.75 4.18 4.81 2gaoA1 ILE 96 HB 0.10 0.13 0.08 -0.04 1.89 2.16 2gaoA1 ILE 96 HG12 0.12 -0.08 -0.06 -0.04 1.49 1.43 2gaoA1 ILE 96 HG13 0.13 0.00 -0.31 -0.04 1.21 0.99 2gaoA1 ILE 96 HG23 0.12 -0.05 -0.26 -0.04 0.93 0.71 2gaoA1 ILE 96 HD13 0.12 0.03 -0.10 -0.04 0.88 0.89 2gaoA1 VAL 97 H 0.18 0.81 0.41 -0.55 8.24 9.10 2gaoA1 VAL 97 HA -0.00 0.27 1.09 -0.75 4.13 4.73 2gaoA1 VAL 97 HB -0.08 -0.08 0.14 -0.04 2.12 2.07 2gaoA1 VAL 97 HG13 -0.34 -0.03 -0.20 -0.04 0.97 0.36 2gaoA1 VAL 97 HG23 -0.21 0.02 -0.20 -0.04 0.95 0.51 2gaoA1 PHE 98 H 0.13 0.92 0.32 -0.55 8.34 9.16 2gaoA1 PHE 98 HA -0.04 0.17 0.85 -0.75 4.62 4.85 2gaoA1 PHE 98 HB2 -0.01 0.05 -0.10 -0.04 3.15 3.05 2gaoA1 PHE 98 HB3 -0.01 -0.02 0.11 -0.04 3.06 3.10 2gaoA1 PHE 98 HD2 -0.03 -0.03 -0.26 -0.04 7.28 6.92 2gaoA1 PHE 98 HE2 0.06 -0.06 -0.15 -0.04 7.38 7.19 2gaoA1 PHE 98 HZ 0.04 -0.00 0.06 -0.04 7.32 7.38 2gaoA1 LEU 99 H -0.42 0.70 0.37 -0.55 8.37 8.48 2gaoA1 LEU 99 HA -0.11 0.14 0.86 -0.75 4.35 4.49 2gaoA1 LEU 99 HB2 -0.22 -0.01 0.02 -0.04 1.64 1.39 2gaoA1 LEU 99 HB3 -0.14 0.01 -0.18 -0.04 1.64 1.28 2gaoA1 LEU 99 HG -0.15 0.02 -0.17 -0.04 1.64 1.30 2gaoA1 LEU 99 HD13 -0.21 0.01 -0.15 -0.04 0.93 0.54 2gaoA1 LEU 99 HD23 -0.15 -0.06 -0.37 -0.04 0.89 0.27 2gaoA1 VAL 100 H -0.07 0.83 0.43 -0.55 8.24 8.88 2gaoA1 VAL 100 HA -0.04 0.09 0.87 -0.75 4.13 4.29 2gaoA1 VAL 100 HB -0.09 -0.05 0.10 -0.04 2.12 2.03 2gaoA1 VAL 100 HG13 0.02 0.01 -0.19 -0.04 0.97 0.78 2gaoA1 VAL 100 HG23 0.14 0.03 -0.17 -0.04 0.95 0.91 2gaoA1 ASP 101 H -0.04 0.17 0.10 -0.55 8.40 8.08 2gaoA1 ASP 101 HA -0.05 0.12 0.69 -0.75 4.63 4.63 2gaoA1 ASP 101 HB2 -0.04 0.09 0.08 -0.04 2.71 2.80 2gaoA1 ASP 101 HB3 -0.03 0.01 0.18 -0.04 2.70 2.81 2gaoA1 CYS 102 H -0.06 0.77 0.28 -0.55 8.50 8.95 2gaoA1 CYS 102 HA -0.09 0.11 0.43 -0.75 4.58 4.28 2gaoA1 CYS 102 HB2 -0.05 0.17 -0.02 -0.04 2.97 3.03 2gaoA1 CYS 102 HB3 -0.06 -0.01 0.06 -0.04 2.97 2.91 2gaoA1 ALA 103 H -0.08 0.05 -0.23 -0.55 8.40 7.59 2gaoA1 ALA 103 HA -0.18 0.30 0.42 -0.75 4.34 4.13 2gaoA1 ALA 103 HB3 -0.04 0.02 0.00 -0.04 1.41 1.35 2gaoA1 ASP 104 H -0.13 0.25 -0.40 -0.55 8.40 7.57 2gaoA1 ASP 104 HA -0.04 0.15 0.81 -0.75 4.63 4.80 2gaoA1 ASP 104 HB2 -0.03 0.03 -0.02 -0.04 2.71 2.64 2gaoA1 ASP 104 HB3 -0.03 0.05 0.14 -0.04 2.70 2.82 2gaoA1 HIS 105 H 0.02 0.29 0.03 -0.55 8.41 8.20 2gaoA1 HIS 105 HA 0.04 0.09 0.20 -0.75 4.63 4.20 2gaoA1 HIS 105 HB2 0.02 -0.00 0.07 -0.04 3.26 3.31 2gaoA1 HIS 105 HB3 0.03 0.03 0.04 -0.04 3.20 3.25 2gaoA1 HIS 105 HD2 0.01 -0.02 0.06 -0.04 6.97 6.98 2gaoA1 HIS 105 HE1 0.01 -0.01 0.01 -0.04 7.75 7.72 2gaoA1 SER 106 H 0.09 0.10 -0.09 -0.55 8.46 8.02 2gaoA1 SER 106 HA 0.06 0.12 0.45 -0.75 4.49 4.37 2gaoA1 SER 106 HB2 0.04 0.05 0.10 -0.04 3.95 4.10 2gaoA1 SER 106 HB3 0.05 0.01 0.11 -0.04 3.93 4.06 2gaoA1 ARG 107 H 0.04 0.28 -0.37 -0.55 8.46 7.86 2gaoA1 ARG 107 HA 0.03 0.15 0.74 -0.75 4.34 4.51 2gaoA1 ARG 107 HB2 0.02 0.12 0.07 -0.04 1.90 2.07 2gaoA1 ARG 107 HB3 0.03 -0.04 0.15 -0.04 1.80 1.90 2gaoA1 ARG 107 HG2 0.02 0.05 -0.16 -0.04 1.67 1.54 2gaoA1 ARG 107 HG3 0.02 -0.08 -0.08 -0.04 1.67 1.50 2gaoA1 ARG 107 HD2 0.01 0.01 -0.03 -0.04 3.22 3.18 2gaoA1 ARG 107 HD3 0.01 0.02 -0.00 -0.04 3.22 3.20 2gaoA1 LEU 108 H 0.07 0.39 -0.17 -0.55 8.37 8.11 2gaoA1 LEU 108 HA 0.19 0.04 0.41 -0.75 4.35 4.23 2gaoA1 LEU 108 HB2 0.12 0.09 0.11 -0.04 1.64 1.93 2gaoA1 LEU 108 HB3 0.27 0.02 -0.01 -0.04 1.64 1.88 2gaoA1 LEU 108 HG 0.04 0.07 -0.03 -0.04 1.64 1.68 2gaoA1 LEU 108 HD13 0.10 0.02 -0.02 -0.04 0.93 0.99 2gaoA1 LEU 108 HD23 0.10 -0.01 -0.04 -0.04 0.89 0.90 2gaoA1 VAL 109 H 0.03 0.21 -0.12 -0.55 8.24 7.80 2gaoA1 VAL 109 HA -0.11 0.15 0.52 -0.75 4.13 3.93 2gaoA1 VAL 109 HB -0.01 0.04 0.09 -0.04 2.12 2.20 2gaoA1 VAL 109 HG13 0.00 0.03 0.01 -0.04 0.97 0.98 2gaoA1 VAL 109 HG23 -0.04 0.02 -0.05 -0.04 0.95 0.84 2gaoA1 GLU 110 H 0.01 0.12 -0.22 -0.55 8.60 7.96 2gaoA1 GLU 110 HA -0.00 0.08 0.45 -0.75 4.29 4.06 2gaoA1 GLU 110 HB2 0.02 0.02 0.14 -0.04 2.09 2.23 2gaoA1 GLU 110 HB3 0.03 0.11 0.17 -0.04 1.99 2.26 2gaoA1 GLU 110 HG2 0.03 -0.04 -0.06 -0.04 2.34 2.23 2gaoA1 GLU 110 HG3 0.02 0.02 0.07 -0.04 2.34 2.41 2gaoA1 SER 111 H 0.06 0.54 -0.09 -0.55 8.46 8.43 2gaoA1 SER 111 HA 0.20 -0.05 0.55 -0.75 4.49 4.44 2gaoA1 SER 111 HB2 0.18 -0.02 0.18 -0.04 3.95 4.25 2gaoA1 SER 111 HB3 0.34 0.15 0.18 -0.04 3.93 4.57 2gaoA1 LYS 112 H -0.29 0.53 -0.11 -0.55 8.42 7.99 2gaoA1 LYS 112 HA -0.72 -0.01 0.40 -0.75 4.32 3.23 2gaoA1 LYS 112 HB2 -1.36 0.02 0.11 -0.04 1.87 0.60 2gaoA1 LYS 112 HB3 -0.41 0.10 0.17 -0.04 1.79 1.61 2gaoA1 LYS 112 HG2 -0.30 -0.04 -0.15 -0.04 1.46 0.93 2gaoA1 LYS 112 HG3 -0.58 -0.00 0.09 -0.04 1.46 0.92 2gaoA1 LYS 112 HD2 -0.18 0.05 0.08 -0.04 1.69 1.60 2gaoA1 LYS 112 HD3 -0.35 0.07 0.03 -0.04 1.68 1.38 2gaoA1 LYS 112 HE2 -0.11 -0.01 0.04 -0.04 2.99 2.87 2gaoA1 LYS 112 HE3 -0.17 -0.03 0.01 -0.04 2.99 2.75 2gaoA1 VAL 113 H -0.12 0.45 -0.27 -0.55 8.24 7.76 2gaoA1 VAL 113 HA -0.08 0.05 0.44 -0.75 4.13 3.79 2gaoA1 VAL 113 HB -0.02 0.14 0.18 -0.04 2.12 2.39 2gaoA1 VAL 113 HG13 -0.00 -0.02 -0.10 -0.04 0.97 0.81 2gaoA1 VAL 113 HG23 -0.04 0.06 0.05 -0.04 0.95 0.97 2gaoA1 GLU 114 H 0.02 0.40 -0.11 -0.55 8.60 8.36 2gaoA1 GLU 114 HA 0.05 0.03 0.49 -0.75 4.29 4.10 2gaoA1 GLU 114 HB2 0.27 0.14 0.22 -0.04 2.09 2.67 2gaoA1 GLU 114 HB3 0.20 -0.06 0.04 -0.04 1.99 2.12 2gaoA1 GLU 114 HG2 0.08 0.24 0.14 -0.04 2.34 2.76 2gaoA1 GLU 114 HG3 0.10 -0.20 0.06 -0.04 2.34 2.26 2gaoA1 LEU 115 H -0.14 0.53 -0.08 -0.55 8.37 8.13 2gaoA1 LEU 115 HA -0.48 0.01 0.41 -0.75 4.35 3.54 2gaoA1 LEU 115 HB2 -0.96 -0.07 0.02 -0.04 1.64 0.59 2gaoA1 LEU 115 HB3 -0.23 0.09 0.07 -0.04 1.64 1.52 2gaoA1 LEU 115 HG -0.20 0.06 -0.18 -0.04 1.64 1.29 2gaoA1 LEU 115 HD13 -0.56 -0.01 -0.05 -0.04 0.93 0.27 2gaoA1 LEU 115 HD23 0.00 -0.01 -0.11 -0.04 0.89 0.74 2gaoA1 ASN 116 H -0.14 0.67 -0.10 -0.55 8.53 8.42 2gaoA1 ASN 116 HA -0.07 0.05 0.47 -0.75 4.76 4.46 2gaoA1 ASN 116 HB2 -0.07 0.07 0.21 -0.04 2.88 3.05 2gaoA1 ASN 116 HB3 -0.05 -0.05 -0.02 -0.04 2.79 2.63 2gaoA1 ASN 116 HD21 -0.11 -0.01 -0.05 -0.04 7.03 6.83 2gaoA1 ASN 116 HD22 -0.09 -0.08 -0.07 -0.04 7.74 7.47 2gaoA1 ALA 117 H -0.03 0.65 -0.11 -0.55 8.40 8.37 2gaoA1 ALA 117 HA 0.02 -0.02 0.40 -0.75 4.34 3.99 2gaoA1 ALA 117 HB3 0.06 0.01 0.12 -0.04 1.41 1.56 2gaoA1 LEU 118 H -0.01 0.48 -0.19 -0.55 8.37 8.10 2gaoA1 LEU 118 HA 0.11 -0.04 0.38 -0.75 4.35 4.04 2gaoA1 LEU 118 HB2 -0.09 0.16 0.15 -0.04 1.64 1.82 2gaoA1 LEU 118 HB3 0.01 0.03 -0.05 -0.04 1.64 1.59 2gaoA1 LEU 118 HG -0.01 0.19 0.04 -0.04 1.64 1.82 2gaoA1 LEU 118 HD13 -0.03 -0.04 -0.09 -0.04 0.93 0.73 2gaoA1 LEU 118 HD23 0.06 -0.02 -0.05 -0.04 0.89 0.84 2gaoA1 MET 119 H -0.04 0.51 -0.13 -0.55 8.47 8.26 2gaoA1 MET 119 HA -0.00 0.09 0.33 -0.75 4.52 4.19 2gaoA1 MET 119 HB2 -0.03 0.01 0.12 -0.04 2.15 2.21 2gaoA1 MET 119 HB3 -0.02 -0.03 0.03 -0.04 2.03 1.97 2gaoA1 MET 119 HG2 -0.03 0.01 -0.02 -0.04 2.63 2.54 2gaoA1 MET 119 HG3 -0.08 0.19 0.03 -0.04 2.56 2.67 2gaoA1 MET 119 HE3 -0.04 -0.00 -0.10 -0.04 2.10 1.91 2gaoA1 THR 120 H 0.00 0.42 -0.25 -0.55 8.28 7.90 2gaoA1 THR 120 HA 0.00 0.18 0.81 -0.75 4.39 4.63 2gaoA1 THR 120 HB 0.00 -0.10 0.11 -0.04 4.32 4.29 2gaoA1 THR 120 HG23 -0.01 0.02 -0.05 -0.04 1.22 1.14 2gaoA1 ASP 121 H 0.03 0.42 -0.21 -0.55 8.40 8.09 2gaoA1 ASP 121 HA 0.02 -0.05 0.63 -0.75 4.63 4.47 2gaoA1 ASP 121 HB2 0.07 0.15 0.14 -0.04 2.71 3.03 2gaoA1 ASP 121 HB3 0.08 0.15 0.18 -0.04 2.70 3.06 2gaoA1 GLU 122 H 0.01 0.15 0.20 -0.55 8.60 8.41 2gaoA1 GLU 122 HA 0.01 0.18 0.33 -0.75 4.29 4.06 2gaoA1 GLU 122 HB2 0.00 0.05 0.14 -0.04 2.09 2.25 2gaoA1 GLU 122 HB3 0.00 -0.03 0.04 -0.04 1.99 1.96 2gaoA1 GLU 122 HG2 0.00 -0.03 0.04 -0.04 2.34 2.31 2gaoA1 GLU 122 HG3 0.00 -0.02 0.10 -0.04 2.34 2.38 2gaoA1 THR 123 H 0.01 0.03 -0.28 -0.55 8.28 7.49 2gaoA1 THR 123 HA 0.01 0.12 0.51 -0.75 4.39 4.27 2gaoA1 THR 123 HB -0.01 0.05 0.07 -0.04 4.32 4.39 2gaoA1 THR 123 HG23 -0.02 -0.02 0.01 -0.04 1.22 1.15 2gaoA1 ILE 124 H 0.04 0.34 -0.34 -0.55 8.25 7.73 2gaoA1 ILE 124 HA 0.05 0.21 0.78 -0.75 4.18 4.47 2gaoA1 ILE 124 HB 0.10 0.02 0.14 -0.04 1.89 2.11 2gaoA1 ILE 124 HG12 0.09 -0.21 -0.04 -0.04 1.49 1.29 2gaoA1 ILE 124 HG13 0.08 0.34 0.01 -0.04 1.21 1.60 2gaoA1 ILE 124 HG23 0.12 -0.01 -0.18 -0.04 0.93 0.81 2gaoA1 ILE 124 HD13 0.21 -0.04 0.00 -0.04 0.88 1.02 2gaoA1 SER 125 H 0.02 0.24 -0.30 -0.55 8.46 7.88 2gaoA1 SER 125 HA 0.02 0.18 0.24 -0.75 4.49 4.17 2gaoA1 SER 125 HB2 0.01 -0.02 0.06 -0.04 3.95 3.96 2gaoA1 SER 125 HB3 0.01 -0.03 0.07 -0.04 3.93 3.94 2gaoA1 ASN 126 H 0.01 0.07 -0.32 -0.55 8.53 7.75 2gaoA1 ASN 126 HA -0.01 0.19 0.86 -0.75 4.76 5.05 2gaoA1 ASN 126 HB2 0.01 0.01 0.01 -0.04 2.88 2.87 2gaoA1 ASN 126 HB3 -0.01 0.01 0.16 -0.04 2.79 2.92 2gaoA1 ASN 126 HD21 0.00 -0.03 -0.06 -0.04 7.03 6.90 2gaoA1 ASN 126 HD22 0.01 0.03 -0.04 -0.04 7.74 7.69 2gaoA1 VAL 127 H 0.02 0.40 -0.31 -0.55 8.24 7.81 2gaoA1 VAL 127 HA 0.02 0.20 0.65 -0.75 4.13 4.25 2gaoA1 VAL 127 HB 0.06 0.05 0.07 -0.04 2.12 2.27 2gaoA1 VAL 127 HG13 0.08 0.02 -0.32 -0.04 0.97 0.71 2gaoA1 VAL 127 HG23 0.06 -0.03 -0.05 -0.04 0.95 0.89 2gaoA1 PRO 128 HA -0.03 0.24 0.54 -0.51 4.44 4.68 2gaoA1 PRO 128 HB2 -0.06 -0.09 -0.02 -0.04 2.28 2.07 2gaoA1 PRO 128 HB3 -0.25 -0.00 0.17 -0.04 2.02 1.89 2gaoA1 PRO 128 HG2 0.02 -0.12 0.27 -0.04 2.03 2.16 2gaoA1 PRO 128 HG3 0.01 0.10 0.15 -0.04 2.03 2.26 2gaoA1 PRO 128 HD2 0.01 0.18 0.33 -0.04 3.68 4.16 2gaoA1 PRO 128 HD3 -0.04 0.19 0.30 -0.04 3.65 4.06 2gaoA1 ILE 129 H 0.14 0.68 0.35 -0.55 8.25 8.87 2gaoA1 ILE 129 HA 0.12 0.20 1.10 -0.75 4.18 4.85 2gaoA1 ILE 129 HB 0.07 -0.00 0.15 -0.04 1.89 2.07 2gaoA1 ILE 129 HG12 0.07 -0.04 -0.13 -0.04 1.49 1.34 2gaoA1 ILE 129 HG13 0.05 0.30 -0.17 -0.04 1.21 1.34 2gaoA1 ILE 129 HG23 0.05 -0.06 -0.27 -0.04 0.93 0.61 2gaoA1 ILE 129 HD13 -0.00 -0.02 -0.12 -0.04 0.88 0.70 2gaoA1 LEU 130 H 0.14 0.84 0.38 -0.55 8.37 9.18 2gaoA1 LEU 130 HA 0.25 0.12 0.96 -0.75 4.35 4.92 2gaoA1 LEU 130 HB2 0.31 0.08 -0.02 -0.04 1.64 1.97 2gaoA1 LEU 130 HB3 -0.01 0.01 0.17 -0.04 1.64 1.77 2gaoA1 LEU 130 HG -0.06 -0.13 -0.39 -0.04 1.64 1.01 2gaoA1 LEU 130 HD13 0.09 0.02 -0.10 -0.04 0.93 0.90 2gaoA1 LEU 130 HD23 -0.40 0.01 -0.32 -0.04 0.89 0.15 2gaoA1 ILE 131 H 0.02 0.77 0.33 -0.55 8.25 8.81 2gaoA1 ILE 131 HA 0.11 0.25 1.02 -0.75 4.18 4.81 2gaoA1 ILE 131 HB -0.07 -0.08 0.18 -0.04 1.89 1.88 2gaoA1 ILE 131 HG12 0.01 0.01 -0.11 -0.04 1.49 1.36 2gaoA1 ILE 131 HG13 -0.01 0.09 -0.15 -0.04 1.21 1.10 2gaoA1 ILE 131 HG23 -0.01 -0.03 -0.22 -0.04 0.93 0.63 2gaoA1 ILE 131 HD13 -0.07 -0.01 -0.16 -0.04 0.88 0.60 2gaoA1 LEU 132 H 0.02 0.73 0.24 -0.55 8.37 8.82 2gaoA1 LEU 132 HA 0.03 0.34 1.02 -0.75 4.35 4.99 2gaoA1 LEU 132 HB2 -0.06 -0.06 0.05 -0.04 1.64 1.54 2gaoA1 LEU 132 HB3 0.00 -0.09 -0.11 -0.04 1.64 1.40 2gaoA1 LEU 132 HG -0.06 0.05 -0.33 -0.04 1.64 1.27 2gaoA1 LEU 132 HD13 -0.08 -0.02 -0.17 -0.04 0.93 0.62 2gaoA1 LEU 132 HD23 0.08 0.02 -0.14 -0.04 0.89 0.80 2gaoA1 GLY 133 H -0.02 0.58 0.11 -0.55 8.43 8.56 2gaoA1 GLY 133 HA2 -0.08 0.12 0.78 -0.51 4.01 4.32 2gaoA1 GLY 133 HA3 -0.07 -0.02 0.35 -0.51 4.01 3.75 2gaoA1 ASN 134 H -0.05 0.78 0.34 -0.55 8.53 9.06 2gaoA1 ASN 134 HA 0.00 0.14 0.64 -0.75 4.76 4.79 2gaoA1 ASN 134 HB2 -0.04 0.00 -0.01 -0.04 2.88 2.79 2gaoA1 ASN 134 HB3 -0.05 0.18 0.10 -0.04 2.79 2.97 2gaoA1 ASN 134 HD21 -0.04 -0.17 0.13 -0.04 7.03 6.91 2gaoA1 ASN 134 HD22 -0.05 0.77 0.25 -0.04 7.74 8.67 2gaoA1 LYS 135 H 0.00 0.03 0.37 -0.55 8.42 8.27 2gaoA1 LYS 135 HA -0.00 -0.09 0.46 -0.75 4.32 3.94 2gaoA1 LYS 135 HB2 -0.03 0.02 0.28 -0.04 1.87 2.10 2gaoA1 LYS 135 HB3 -0.02 0.00 0.25 -0.04 1.79 1.98 2gaoA1 LYS 135 HG2 -0.02 -0.06 0.04 -0.04 1.46 1.37 2gaoA1 LYS 135 HG3 -0.03 0.07 -0.23 -0.04 1.46 1.23 2gaoA1 LYS 135 HD2 -0.03 -0.07 0.02 -0.04 1.69 1.57 2gaoA1 LYS 135 HD3 -0.02 -0.00 0.03 -0.04 1.68 1.65 2gaoA1 LYS 135 HE2 -0.03 -0.09 -0.08 -0.04 2.99 2.76 2gaoA1 LYS 135 HE3 -0.04 0.14 -0.04 -0.04 2.99 3.02 2gaoA1 ILE 136 H 0.00 0.40 0.16 -0.55 8.25 8.26 2gaoA1 ILE 136 HA -0.01 0.16 0.30 -0.75 4.18 3.88 2gaoA1 ILE 136 HB -0.00 0.06 0.03 -0.04 1.89 1.94 2gaoA1 ILE 136 HG12 0.02 -0.10 -0.38 -0.04 1.49 0.98 2gaoA1 ILE 136 HG13 0.01 0.05 -0.39 -0.04 1.21 0.84 2gaoA1 ILE 136 HG23 -0.01 0.05 -0.04 -0.04 0.93 0.89 2gaoA1 ILE 136 HD13 0.01 -0.01 -0.24 -0.04 0.88 0.60 2gaoA1 ASP 137 H 0.01 -0.14 -0.33 -0.55 8.40 7.39 2gaoA1 ASP 137 HA 0.01 0.16 0.54 -0.75 4.63 4.58 2gaoA1 ASP 137 HB2 0.01 0.08 0.01 -0.04 2.71 2.76 2gaoA1 ASP 137 HB3 0.01 -0.03 0.05 -0.04 2.70 2.69 2gaoA1 ARG 138 H 0.00 0.22 -0.17 -0.55 8.46 7.96 2gaoA1 ARG 138 HA 0.01 0.08 0.64 -0.75 4.34 4.31 2gaoA1 ARG 138 HB2 -0.00 0.18 0.17 -0.04 1.90 2.21 2gaoA1 ARG 138 HB3 0.01 -0.10 0.09 -0.04 1.80 1.75 2gaoA1 ARG 138 HG2 0.00 0.04 0.05 -0.04 1.67 1.73 2gaoA1 ARG 138 HG3 0.00 -0.10 0.04 -0.04 1.67 1.57 2gaoA1 ARG 138 HD2 -0.00 0.00 0.03 -0.04 3.22 3.21 2gaoA1 ARG 138 HD3 -0.01 -0.02 0.09 -0.04 3.22 3.23 2gaoA1 THR 139 H 0.02 0.11 0.18 -0.55 8.28 8.03 2gaoA1 THR 139 HA 0.02 0.23 0.43 -0.75 4.39 4.31 2gaoA1 THR 139 HB 0.02 0.03 0.09 -0.04 4.32 4.42 2gaoA1 THR 139 HG23 0.01 0.02 0.04 -0.04 1.22 1.25 2gaoA1 ASP 140 H 0.04 -0.03 -0.13 -0.55 8.40 7.73 2gaoA1 ASP 140 HA 0.10 0.21 0.73 -0.75 4.63 4.91 2gaoA1 ASP 140 HB2 0.26 0.03 0.16 -0.04 2.71 3.12 2gaoA1 ASP 140 HB3 0.09 0.00 0.09 -0.04 2.70 2.84 2gaoA1 ALA 141 H 0.02 0.24 -0.56 -0.55 8.40 7.56 2gaoA1 ALA 141 HA -0.06 0.05 -0.01 -0.75 4.34 3.56 2gaoA1 ALA 141 HB3 -0.01 0.05 -0.07 -0.04 1.41 1.33 2gaoA1 ILE 142 H -0.05 0.55 0.23 -0.55 8.25 8.42 2gaoA1 ILE 142 HA 0.07 0.07 0.48 -0.75 4.18 4.05 2gaoA1 ILE 142 HB 0.05 -0.14 0.11 -0.04 1.89 1.87 2gaoA1 ILE 142 HG12 -0.05 0.03 0.14 -0.04 1.49 1.57 2gaoA1 ILE 142 HG13 -0.04 0.03 -0.20 -0.04 1.21 0.97 2gaoA1 ILE 142 HG23 0.13 0.05 0.07 -0.04 0.93 1.15 2gaoA1 ILE 142 HD13 0.01 -0.01 -0.10 -0.04 0.88 0.73 2gaoA1 SER 143 H 0.02 0.06 0.17 -0.55 8.46 8.17 2gaoA1 SER 143 HA -0.01 0.23 0.58 -0.75 4.49 4.54 2gaoA1 SER 143 HB2 -0.00 -0.05 0.18 -0.04 3.95 4.04 2gaoA1 SER 143 HB3 0.01 0.19 0.15 -0.04 3.93 4.24 2gaoA1 GLU 144 H -0.03 0.23 0.17 -0.55 8.60 8.41 2gaoA1 GLU 144 HA -0.09 0.12 0.51 -0.75 4.29 4.07 2gaoA1 GLU 144 HB2 -0.08 0.04 0.13 -0.04 2.09 2.14 2gaoA1 GLU 144 HB3 -0.06 0.01 0.09 -0.04 1.99 1.99 2gaoA1 GLU 144 HG2 -0.13 -0.01 -0.18 -0.04 2.34 1.98 2gaoA1 GLU 144 HG3 -0.16 -0.01 -0.00 -0.04 2.34 2.13 2gaoA1 GLU 145 H -0.00 0.10 -0.09 -0.55 8.60 8.06 2gaoA1 GLU 145 HA 0.09 0.13 0.47 -0.75 4.29 4.22 2gaoA1 GLU 145 HB2 0.04 0.02 0.09 -0.04 2.09 2.20 2gaoA1 GLU 145 HB3 0.04 -0.01 0.01 -0.04 1.99 1.99 2gaoA1 GLU 145 HG2 0.13 -0.00 -0.06 -0.04 2.34 2.36 2gaoA1 GLU 145 HG3 0.15 0.03 0.02 -0.04 2.34 2.50 2gaoA1 LYS 146 H 0.02 0.01 -0.26 -0.55 8.42 7.64 2gaoA1 LYS 146 HA 0.06 0.10 0.43 -0.75 4.32 4.16 2gaoA1 LYS 146 HB2 0.04 -0.02 0.11 -0.04 1.87 1.96 2gaoA1 LYS 146 HB3 0.03 0.05 0.10 -0.04 1.79 1.93 2gaoA1 LYS 146 HG2 0.07 0.02 0.03 -0.04 1.46 1.54 2gaoA1 LYS 146 HG3 0.08 0.03 -0.11 -0.04 1.46 1.41 2gaoA1 LYS 146 HD2 0.06 -0.03 0.09 -0.04 1.69 1.77 2gaoA1 LYS 146 HD3 0.05 0.01 0.03 -0.04 1.68 1.72 2gaoA1 LYS 146 HE2 0.06 0.02 0.01 -0.04 2.99 3.03 2gaoA1 LYS 146 HE3 0.08 0.00 0.01 -0.04 2.99 3.03 2gaoA1 LEU 147 H -0.03 0.54 -0.24 -0.55 8.37 8.09 2gaoA1 LEU 147 HA -0.09 0.03 0.36 -0.75 4.35 3.89 2gaoA1 LEU 147 HB2 -0.14 0.09 0.02 -0.04 1.64 1.58 2gaoA1 LEU 147 HB3 -0.17 0.06 0.11 -0.04 1.64 1.60 2gaoA1 LEU 147 HG -0.47 0.03 -0.23 -0.04 1.64 0.93 2gaoA1 LEU 147 HD13 -0.51 -0.00 -0.05 -0.04 0.93 0.33 2gaoA1 LEU 147 HD23 -0.23 -0.01 -0.12 -0.04 0.89 0.50 2gaoA1 ARG 148 H -0.11 0.59 -0.11 -0.55 8.46 8.27 2gaoA1 ARG 148 HA -0.18 0.03 0.31 -0.75 4.34 3.75 2gaoA1 ARG 148 HB2 -0.28 0.09 0.12 -0.04 1.90 1.79 2gaoA1 ARG 148 HB3 -1.01 -0.09 -0.06 -0.04 1.80 0.60 2gaoA1 ARG 148 HG2 -0.37 -0.02 -0.04 -0.04 1.67 1.20 2gaoA1 ARG 148 HG3 -0.26 0.08 0.04 -0.04 1.67 1.49 2gaoA1 ARG 148 HD2 -0.31 -0.01 -0.06 -0.04 3.22 2.79 2gaoA1 ARG 148 HD3 -0.75 -0.02 -0.07 -0.04 3.22 2.34 2gaoA1 GLU 149 H 0.11 0.49 -0.28 -0.55 8.60 8.37 2gaoA1 GLU 149 HA 0.24 0.02 0.52 -0.75 4.29 4.32 2gaoA1 GLU 149 HB2 0.11 0.06 0.20 -0.04 2.09 2.42 2gaoA1 GLU 149 HB3 0.10 -0.00 -0.01 -0.04 1.99 2.03 2gaoA1 GLU 149 HG2 0.13 -0.02 0.03 -0.04 2.34 2.43 2gaoA1 GLU 149 HG3 0.29 0.08 0.06 -0.04 2.34 2.72 2gaoA1 ILE 150 H 0.13 0.61 0.02 -0.55 8.25 8.46 2gaoA1 ILE 150 HA 0.10 0.03 0.35 -0.75 4.18 3.91 2gaoA1 ILE 150 HB 0.27 0.08 0.13 -0.04 1.89 2.34 2gaoA1 ILE 150 HG12 0.09 -0.01 0.04 -0.04 1.49 1.57 2gaoA1 ILE 150 HG13 0.11 0.05 0.08 -0.04 1.21 1.41 2gaoA1 ILE 150 HG23 0.17 -0.02 -0.19 -0.04 0.93 0.85 2gaoA1 ILE 150 HD13 0.13 -0.03 -0.02 -0.04 0.88 0.91 2gaoA1 PHE 151 H 0.33 0.40 -0.29 -0.55 8.34 8.22 2gaoA1 PHE 151 HA -0.02 0.11 0.60 -0.75 4.62 4.55 2gaoA1 PHE 151 HB2 -0.06 0.08 -0.01 -0.04 3.15 3.13 2gaoA1 PHE 151 HB3 -0.07 0.00 -0.01 -0.04 3.06 2.94 2gaoA1 PHE 151 HD2 -0.04 -0.01 -0.12 -0.04 7.28 7.06 2gaoA1 PHE 151 HE2 0.05 -0.05 -0.12 -0.04 7.38 7.22 2gaoA1 PHE 151 HZ 0.08 -0.10 -0.02 -0.04 7.32 7.24 2gaoA1 GLY 152 H 0.12 0.28 -0.39 -0.55 8.43 7.88 2gaoA1 GLY 152 HA2 0.08 0.01 0.33 -0.51 4.01 3.92 2gaoA1 GLY 152 HA3 0.04 0.06 0.38 -0.51 4.01 3.98 2gaoA1 LEU 153 H -0.02 0.55 0.10 -0.55 8.37 8.46 2gaoA1 LEU 153 HA -0.04 0.25 0.38 -0.75 4.35 4.19 2gaoA1 LEU 153 HB2 -0.23 -0.09 0.04 -0.04 1.64 1.32 2gaoA1 LEU 153 HB3 -0.17 -0.09 0.01 -0.04 1.64 1.35 2gaoA1 LEU 153 HG 0.06 0.00 -0.32 -0.04 1.64 1.35 2gaoA1 LEU 153 HD13 -0.14 -0.03 -0.17 -0.04 0.93 0.55 2gaoA1 LEU 153 HD23 -0.01 0.04 -0.21 -0.04 0.89 0.68 2gaoA1 TYR 154 H 0.03 0.13 -0.12 -0.55 8.29 7.78 2gaoA1 TYR 154 HA -0.03 -0.02 0.51 -0.75 4.56 4.26 2gaoA1 TYR 154 HB2 -0.01 0.05 0.06 -0.04 3.06 3.12 2gaoA1 TYR 154 HB3 -0.01 0.04 0.01 -0.04 2.98 2.97 2gaoA1 TYR 154 HD2 -0.02 0.05 -0.03 -0.04 7.15 7.11 2gaoA1 TYR 154 HE2 -0.02 0.01 -0.08 -0.04 6.85 6.71 2gaoA1 GLY 155 H 0.07 0.09 0.18 -0.55 8.43 8.23 2gaoA1 GLY 155 HA2 0.04 0.02 0.35 -0.51 4.01 3.90 2gaoA1 GLY 155 HA3 0.04 0.13 0.53 -0.51 4.01 4.21 2gaoA1 GLN 156 H -0.02 0.34 -0.48 -0.55 8.47 7.77 2gaoA1 GLN 156 HA -0.00 0.00 0.65 -0.75 4.36 4.26 2gaoA1 GLN 156 HB2 -0.01 0.00 -0.05 -0.04 2.15 2.05 2gaoA1 GLN 156 HB3 -0.04 0.00 0.05 -0.04 2.02 1.99 2gaoA1 GLN 156 HG2 -0.02 0.00 -0.06 -0.04 2.40 2.28 2gaoA1 GLN 156 HG3 -0.02 0.00 -0.12 -0.04 2.39 2.21 2gaoA1 GLN 156 HE21 -0.00 0.00 0.04 -0.04 6.97 6.96 2gaoA1 GLN 156 HE22 -0.00 -0.00 0.01 -0.04 7.69 7.65 2gaoA1 THR 157 H -0.07 0.05 0.11 -0.55 8.28 7.82 2gaoA1 THR 157 HA -0.05 0.27 0.53 -0.75 4.39 4.38 2gaoA1 THR 157 HB -0.18 -0.03 0.19 -0.04 4.32 4.26 2gaoA1 THR 157 HG23 -0.17 0.02 -0.08 -0.04 1.22 0.95 2gaoA1 THR 158 H 0.01 0.56 0.36 -0.55 8.28 8.65 2gaoA1 THR 158 HA 0.05 0.22 0.70 -0.75 4.39 4.61 2gaoA1 THR 158 HB 0.12 0.00 0.07 -0.04 4.32 4.47 2gaoA1 THR 158 HG23 0.04 0.06 -0.17 -0.04 1.22 1.12 2gaoA1 GLY 159 H -0.02 -0.02 -0.07 -0.55 8.43 7.77 2gaoA1 GLY 159 HA2 0.01 -0.09 0.35 -0.51 4.01 3.77 2gaoA1 GLY 159 HA3 0.10 0.23 0.79 -0.51 4.01 4.62 2gaoA1 LYS 160 H -0.01 0.08 0.13 -0.55 8.42 8.06 2gaoA1 LYS 160 HA -0.07 0.19 0.52 -0.75 4.32 4.21 2gaoA1 LYS 160 HB2 -0.05 -0.05 0.10 -0.04 1.87 1.84 2gaoA1 LYS 160 HB3 0.08 0.04 0.11 -0.04 1.79 1.98 2gaoA1 LYS 160 HG2 -0.58 0.06 0.02 -0.04 1.46 0.92 2gaoA1 LYS 160 HG3 -0.37 -0.10 0.03 -0.04 1.46 0.98 2gaoA1 LYS 160 HD2 -0.29 -0.03 0.05 -0.04 1.69 1.37 2gaoA1 LYS 160 HD3 -0.36 0.01 0.03 -0.04 1.68 1.32 2gaoA1 LYS 160 HE2 -2.08 0.05 0.05 -0.04 2.99 0.97 2gaoA1 LYS 160 HE3 -0.70 -0.08 0.10 -0.04 2.99 2.27 2gaoA1 GLY 161 H 0.16 -0.04 -0.33 -0.55 8.43 7.68 2gaoA1 GLY 161 HA2 0.15 0.11 0.44 -0.51 4.01 4.20 2gaoA1 GLY 161 HA3 0.12 -0.02 0.24 -0.51 4.01 3.83 2gaoA1 ASN 162 H 0.07 0.09 0.04 -0.55 8.53 8.19 2gaoA1 ASN 162 HA -0.01 0.26 0.80 -0.75 4.76 5.05 2gaoA1 ASN 162 HB2 0.01 -0.07 0.18 -0.04 2.88 2.96 2gaoA1 ASN 162 HB3 -0.03 0.03 0.06 -0.04 2.79 2.81 2gaoA1 ASN 162 HD21 -0.00 0.02 -0.02 -0.04 7.03 6.99 2gaoA1 ASN 162 HD22 0.01 -0.05 0.02 -0.04 7.74 7.67 2gaoA1 VAL 163 H 0.12 0.44 -0.09 -0.55 8.24 8.16 2gaoA1 VAL 163 HA 0.08 0.06 0.77 -0.75 4.13 4.29 2gaoA1 VAL 163 HB 0.23 0.08 -0.03 -0.04 2.12 2.36 2gaoA1 VAL 163 HG13 0.10 0.03 -0.15 -0.04 0.97 0.91 2gaoA1 VAL 163 HG23 0.16 0.05 -0.21 -0.04 0.95 0.91 2gaoA1 THR 164 H 0.06 0.07 0.06 -0.55 8.28 7.92 2gaoA1 THR 164 HA 0.09 0.21 0.43 -0.75 4.39 4.37 2gaoA1 THR 164 HB 0.04 0.03 0.15 -0.04 4.32 4.50 2gaoA1 THR 164 HG23 0.01 0.04 0.03 -0.04 1.22 1.26 2gaoA1 LEU 165 H 0.13 0.21 0.19 -0.55 8.37 8.36 2gaoA1 LEU 165 HA 0.05 0.16 0.48 -0.75 4.35 4.28 2gaoA1 LEU 165 HB2 0.06 -0.10 0.16 -0.04 1.64 1.72 2gaoA1 LEU 165 HB3 0.02 0.05 0.02 -0.04 1.64 1.70 2gaoA1 LEU 165 HG 0.14 0.01 0.14 -0.04 1.64 1.89 2gaoA1 LEU 165 HD13 0.02 0.01 0.08 -0.04 0.93 1.00 2gaoA1 LEU 165 HD23 -0.11 0.02 0.12 -0.04 0.89 0.88 2gaoA1 LYS 166 H 0.04 -0.03 -0.18 -0.55 8.42 7.70 2gaoA1 LYS 166 HA 0.02 0.13 0.49 -0.75 4.32 4.20 2gaoA1 LYS 166 HB2 0.03 -0.13 0.09 -0.04 1.87 1.81 2gaoA1 LYS 166 HB3 0.02 0.03 -0.00 -0.04 1.79 1.79 2gaoA1 LYS 166 HG2 0.02 0.04 0.03 -0.04 1.46 1.51 2gaoA1 LYS 166 HG3 0.02 -0.02 0.05 -0.04 1.46 1.47 2gaoA1 LYS 166 HD2 0.02 -0.04 0.04 -0.04 1.69 1.67 2gaoA1 LYS 166 HD3 0.01 -0.00 0.02 -0.04 1.68 1.67 2gaoA1 LYS 166 HE2 0.01 0.01 0.02 -0.04 2.99 2.99 2gaoA1 LYS 166 HE3 0.01 0.03 0.03 -0.04 2.99 3.02 2gaoA1 GLU 167 H 0.04 -0.10 -0.16 -0.55 8.60 7.84 2gaoA1 GLU 167 HA 0.03 0.02 0.37 -0.75 4.29 3.96 2gaoA1 GLU 167 HB2 0.04 -0.08 0.11 -0.04 2.09 2.11 2gaoA1 GLU 167 HB3 0.06 -0.03 0.09 -0.04 1.99 2.07 2gaoA1 GLU 167 HG2 0.04 -0.06 0.03 -0.04 2.34 2.32 2gaoA1 GLU 167 HG3 0.05 0.06 -0.12 -0.04 2.34 2.29 2gaoA1 LEU 168 H 0.05 0.37 -0.41 -0.55 8.37 7.84 2gaoA1 LEU 168 HA 0.05 -0.01 0.64 -0.75 4.35 4.27 2gaoA1 LEU 168 HB2 0.02 0.08 0.14 -0.04 1.64 1.83 2gaoA1 LEU 168 HB3 0.02 -0.06 -0.02 -0.04 1.64 1.54 2gaoA1 LEU 168 HG 0.12 0.04 -0.27 -0.04 1.64 1.49 2gaoA1 LEU 168 HD13 -0.04 -0.01 -0.14 -0.04 0.93 0.70 2gaoA1 LEU 168 HD23 0.10 -0.01 -0.05 -0.04 0.89 0.89 2gaoA1 ASN 169 H 0.03 0.10 0.08 -0.55 8.53 8.19 2gaoA1 ASN 169 HA 0.01 0.21 0.79 -0.75 4.76 5.02 2gaoA1 ASN 169 HB2 0.02 -0.03 0.16 -0.04 2.88 2.99 2gaoA1 ASN 169 HB3 0.01 -0.04 0.18 -0.04 2.79 2.90 2gaoA1 ASN 169 HD21 0.02 -0.03 0.01 -0.04 7.03 7.00 2gaoA1 ASN 169 HD22 0.02 -0.04 0.04 -0.04 7.74 7.71 2gaoA1 ALA 170 H 0.00 0.36 -0.38 -0.55 8.40 7.84 2gaoA1 ALA 170 HA -0.00 0.06 0.47 -0.75 4.34 4.12 2gaoA1 ALA 170 HB3 0.01 0.03 -0.10 -0.04 1.41 1.31 2gaoA1 ARG 171 H -0.01 0.14 0.13 -0.55 8.46 8.17 2gaoA1 ARG 171 HA -0.07 0.16 0.70 -0.75 4.34 4.38 2gaoA1 ARG 171 HB2 -0.02 0.11 0.16 -0.04 1.90 2.11 2gaoA1 ARG 171 HB3 -0.01 -0.08 0.13 -0.04 1.80 1.80 2gaoA1 ARG 171 HG2 -0.05 0.00 -0.30 -0.04 1.67 1.28 2gaoA1 ARG 171 HG3 -0.01 0.03 -0.32 -0.04 1.67 1.33 2gaoA1 ARG 171 HD2 0.01 -0.10 -0.50 -0.04 3.22 2.59 2gaoA1 ARG 171 HD3 0.02 0.17 -0.09 -0.04 3.22 3.28 2gaoA1 PRO 172 HA 0.02 -0.02 0.41 -0.51 4.44 4.33 2gaoA1 PRO 172 HB2 -0.50 -0.05 0.10 -0.04 2.28 1.79 2gaoA1 PRO 172 HB3 -0.88 0.04 0.05 -0.04 2.02 1.18 2gaoA1 PRO 172 HG2 -1.09 0.08 0.13 -0.04 2.03 1.10 2gaoA1 PRO 172 HG3 -0.79 0.05 0.08 -0.04 2.03 1.32 2gaoA1 PRO 172 HD2 -0.21 0.13 0.13 -0.04 3.68 3.69 2gaoA1 PRO 172 HD3 -0.20 0.21 0.30 -0.04 3.65 3.92 2gaoA1 MET 173 H 0.24 0.14 0.27 -0.55 8.47 8.56 2gaoA1 MET 173 HA 0.31 0.38 0.70 -0.75 4.52 5.15 2gaoA1 MET 173 HB2 0.06 0.18 -0.14 -0.04 2.15 2.21 2gaoA1 MET 173 HB3 0.03 0.04 0.09 -0.04 2.03 2.14 2gaoA1 MET 173 HG2 -0.04 -0.17 -0.21 -0.04 2.63 2.18 2gaoA1 MET 173 HG3 0.04 0.05 0.06 -0.04 2.56 2.67 2gaoA1 MET 173 HE3 -0.05 -0.04 -0.13 -0.04 2.10 1.84 2gaoA1 GLU 174 H -0.18 0.51 0.34 -0.55 8.60 8.72 2gaoA1 GLU 174 HA -0.36 0.02 0.57 -0.75 4.29 3.77 2gaoA1 GLU 174 HB2 -2.39 0.09 -0.06 -0.04 2.09 -0.31 2gaoA1 GLU 174 HB3 -0.85 0.01 -0.02 -0.04 1.99 1.09 2gaoA1 GLU 174 HG2 -0.41 0.09 -0.06 -0.04 2.34 1.92 2gaoA1 GLU 174 HG3 -0.94 0.12 -0.24 -0.04 2.34 1.24 2gaoA1 VAL 175 H -0.43 0.17 0.17 -0.55 8.24 7.60 2gaoA1 VAL 175 HA -0.13 0.29 0.95 -0.75 4.13 4.49 2gaoA1 VAL 175 HB -0.29 -0.04 0.09 -0.04 2.12 1.84 2gaoA1 VAL 175 HG13 -0.18 -0.03 -0.18 -0.04 0.97 0.54 2gaoA1 VAL 175 HG23 -0.20 0.01 -0.14 -0.04 0.95 0.57 2gaoA1 PHE 176 H 0.06 0.77 0.32 -0.55 8.34 8.94 2gaoA1 PHE 176 HA -0.11 0.11 0.84 -0.75 4.62 4.71 2gaoA1 PHE 176 HB2 -0.06 0.00 0.04 -0.04 3.15 3.09 2gaoA1 PHE 176 HB3 -0.03 0.09 -0.04 -0.04 3.06 3.03 2gaoA1 PHE 176 HD2 -0.16 -0.02 -0.21 -0.04 7.28 6.85 2gaoA1 PHE 176 HE2 -0.54 0.02 -0.10 -0.04 7.38 6.72 2gaoA1 PHE 176 HZ -0.20 0.11 -0.00 -0.04 7.32 7.19 2gaoA1 MET 177 H -0.02 0.15 0.14 -0.55 8.47 8.19 2gaoA1 MET 177 HA -0.01 0.12 0.84 -0.75 4.52 4.72 2gaoA1 MET 177 HB2 -0.01 -0.01 0.11 -0.04 2.15 2.21 2gaoA1 MET 177 HB3 -0.02 0.08 0.09 -0.04 2.03 2.15 2gaoA1 MET 177 HG2 -0.08 0.00 0.07 -0.04 2.63 2.58 2gaoA1 MET 177 HG3 -0.05 -0.06 0.06 -0.04 2.56 2.46 2gaoA1 MET 177 HE3 -0.06 0.02 -0.12 -0.04 2.10 1.90 2gaoA1 CYS 178 H 0.03 0.96 0.41 -0.55 8.50 9.35 2gaoA1 CYS 178 HA 0.06 0.17 0.71 -0.75 4.58 4.77 2gaoA1 CYS 178 HB2 0.19 0.07 0.08 -0.04 2.97 3.26 2gaoA1 CYS 178 HB3 0.14 0.11 -0.57 -0.04 2.97 2.61 2gaoA1 SER 179 H 0.09 0.88 0.21 -0.55 8.46 9.09 2gaoA1 SER 179 HA 0.05 -0.14 0.81 -0.75 4.49 4.46 2gaoA1 SER 179 HB2 0.03 -0.01 0.07 -0.04 3.95 3.99 2gaoA1 SER 179 HB3 0.04 0.16 0.15 -0.04 3.93 4.23 2gaoA1 VAL 180 H 0.06 0.13 0.06 -0.55 8.24 7.94 2gaoA1 VAL 180 HA 0.28 0.12 0.46 -0.75 4.13 4.24 2gaoA1 VAL 180 HB -0.02 -0.07 0.12 -0.04 2.12 2.10 2gaoA1 VAL 180 HG13 -0.14 0.05 -0.24 -0.04 0.97 0.60 2gaoA1 VAL 180 HG23 -0.12 0.02 -0.02 -0.04 0.95 0.79 2gaoA1 LEU 181 H 0.03 -0.01 -0.08 -0.55 8.37 7.77 2gaoA1 LEU 181 HA 0.03 0.16 0.35 -0.75 4.35 4.13 2gaoA1 LEU 181 HB2 0.01 -0.06 0.10 -0.04 1.64 1.65 2gaoA1 LEU 181 HB3 0.02 -0.05 0.02 -0.04 1.64 1.59 2gaoA1 LEU 181 HG 0.01 0.08 -0.08 -0.04 1.64 1.61 2gaoA1 LEU 181 HD13 0.01 0.01 0.01 -0.04 0.93 0.93 2gaoA1 LEU 181 HD23 0.01 0.00 -0.03 -0.04 0.89 0.83 2gaoA1 LYS 182 H 0.05 -0.07 -0.30 -0.55 8.42 7.54 2gaoA1 LYS 182 HA 0.02 0.21 0.59 -0.75 4.32 4.39 2gaoA1 LYS 182 HB2 0.02 -0.08 0.04 -0.04 1.87 1.81 2gaoA1 LYS 182 HB3 0.01 0.08 0.12 -0.04 1.79 1.96 2gaoA1 LYS 182 HG2 0.02 -0.17 -0.02 -0.04 1.46 1.25 2gaoA1 LYS 182 HG3 0.01 0.05 -0.00 -0.04 1.46 1.48 2gaoA1 LYS 182 HD2 0.01 0.10 -0.02 -0.04 1.69 1.74 2gaoA1 LYS 182 HD3 0.01 -0.04 -0.27 -0.04 1.68 1.34 2gaoA1 LYS 182 HE2 0.01 -0.05 -0.06 -0.04 2.99 2.85 2gaoA1 LYS 182 HE3 0.00 0.03 -0.02 -0.04 2.99 2.96 2gaoA1 ARG 183 H 0.12 0.32 -0.64 -0.55 8.46 7.70 2gaoA1 ARG 183 HA 0.24 0.02 0.31 -0.75 4.34 4.15 2gaoA1 ARG 183 HB2 -0.03 0.12 0.01 -0.04 1.90 1.96 2gaoA1 ARG 183 HB3 -0.05 -0.04 0.17 -0.04 1.80 1.84 2gaoA1 ARG 183 HG2 0.09 0.04 0.02 -0.04 1.67 1.78 2gaoA1 ARG 183 HG3 0.03 0.05 -0.22 -0.04 1.67 1.48 2gaoA1 ARG 183 HD2 -0.01 0.01 -0.01 -0.04 3.22 3.17 2gaoA1 ARG 183 HD3 -0.03 -0.02 -0.03 -0.04 3.22 3.09 2gaoA1 GLN 184 H 0.05 0.47 -0.01 -0.55 8.47 8.43 2gaoA1 GLN 184 HA -0.11 0.19 0.89 -0.75 4.36 4.58 2gaoA1 GLN 184 HB2 -0.02 0.03 0.05 -0.04 2.15 2.17 2gaoA1 GLN 184 HB3 -0.01 0.21 -0.25 -0.04 2.02 1.93 2gaoA1 GLN 184 HG2 0.03 -0.24 0.03 -0.04 2.40 2.18 2gaoA1 GLN 184 HG3 0.01 0.02 -0.23 -0.04 2.39 2.16 2gaoA1 GLN 184 HE21 0.01 0.08 -0.09 -0.04 6.97 6.93 2gaoA1 GLN 184 HE22 0.02 -0.11 -0.15 -0.04 7.69 7.40 2gaoA1 GLY 185 H -0.07 0.25 0.10 -0.55 8.43 8.16 2gaoA1 GLY 185 HA2 0.03 0.10 0.40 -0.51 4.01 4.03 2gaoA1 GLY 185 HA3 0.05 0.20 0.63 -0.51 4.01 4.38 2gaoA1 TYR 186 H -0.14 0.17 -0.49 -0.55 8.29 7.28 2gaoA1 TYR 186 HA 0.04 0.15 0.28 -0.75 4.56 4.28 2gaoA1 TYR 186 HB2 0.18 0.07 -0.09 -0.04 3.06 3.18 2gaoA1 TYR 186 HB3 0.06 -0.05 -0.11 -0.04 2.98 2.83 2gaoA1 TYR 186 HD2 0.02 -0.02 -0.33 -0.04 7.15 6.77 2gaoA1 TYR 186 HE2 0.10 0.09 -0.05 -0.04 6.85 6.95 2gaoA1 GLY 187 H -0.37 0.06 -0.18 -0.55 8.43 7.40 2gaoA1 GLY 187 HA2 -0.40 0.14 0.32 -0.51 4.01 3.56 2gaoA1 GLY 187 HA3 -0.75 0.12 0.22 -0.51 4.01 3.10 2gaoA1 GLU 188 H -0.13 0.03 -0.37 -0.55 8.60 7.58 2gaoA1 GLU 188 HA -0.12 0.14 0.44 -0.75 4.29 4.01 2gaoA1 GLU 188 HB2 -0.01 -0.06 0.06 -0.04 2.09 2.04 2gaoA1 GLU 188 HB3 -0.00 0.11 0.04 -0.04 1.99 2.09 2gaoA1 GLU 188 HG2 0.15 0.03 -0.13 -0.04 2.34 2.35 2gaoA1 GLU 188 HG3 0.04 0.04 0.06 -0.04 2.34 2.44 2gaoA1 GLY 189 H -0.29 0.16 -0.29 -0.55 8.43 7.47 2gaoA1 GLY 189 HA2 -1.76 0.06 0.41 -0.51 4.01 2.21 2gaoA1 GLY 189 HA3 -0.58 0.01 0.23 -0.51 4.01 3.16 2gaoA1 PHE 190 H 0.17 0.44 -0.10 -0.55 8.34 8.30 2gaoA1 PHE 190 HA 0.03 0.00 0.38 -0.75 4.62 4.28 2gaoA1 PHE 190 HB2 -0.11 0.02 0.12 -0.04 3.15 3.13 2gaoA1 PHE 190 HB3 -0.02 0.20 -0.01 -0.04 3.06 3.19 2gaoA1 PHE 190 HD2 0.10 0.15 -0.11 -0.04 7.28 7.39 2gaoA1 PHE 190 HE2 0.09 -0.06 -0.16 -0.04 7.38 7.21 2gaoA1 PHE 190 HZ -0.57 -0.05 -0.17 -0.04 7.32 6.49 2gaoA1 ARG 191 H -0.03 0.42 -0.22 -0.55 8.46 8.08 2gaoA1 ARG 191 HA -0.01 0.15 0.31 -0.75 4.34 4.04 2gaoA1 ARG 191 HB2 -0.05 -0.02 0.12 -0.04 1.90 1.91 2gaoA1 ARG 191 HB3 -0.03 -0.06 -0.02 -0.04 1.80 1.65 2gaoA1 ARG 191 HG2 -0.08 -0.07 -0.40 -0.04 1.67 1.09 2gaoA1 ARG 191 HG3 -0.19 0.29 0.05 -0.04 1.67 1.78 2gaoA1 ARG 191 HD2 -0.05 -0.07 -0.05 -0.04 3.22 3.00 2gaoA1 ARG 191 HD3 -0.14 0.09 -0.05 -0.04 3.22 3.07 2gaoA1 TRP 192 H 0.07 0.43 -0.20 -0.55 7.97 7.72 2gaoA1 TRP 192 HA -0.03 0.04 0.40 -0.75 4.62 4.27 2gaoA1 TRP 192 HB2 0.07 -0.01 0.12 -0.04 3.23 3.37 2gaoA1 TRP 192 HB3 -0.26 0.04 0.17 -0.04 3.23 3.14 2gaoA1 TRP 192 HD1 0.15 0.21 -0.06 -0.04 7.22 7.47 2gaoA1 TRP 192 HE1 0.23 0.23 -0.02 -0.04 10.20 10.60 2gaoA1 TRP 192 HE3 -0.01 0.13 -0.03 -0.04 7.59 7.64 2gaoA1 TRP 192 HZ2 0.13 -0.05 -0.22 -0.04 7.44 7.26 2gaoA1 TRP 192 HZ3 0.06 -0.01 -0.21 -0.04 7.13 6.92 2gaoA1 TRP 192 HH2 0.04 0.09 -0.34 -0.04 7.19 6.95 2gaoA1 LEU 193 H 0.21 0.55 -0.10 -0.55 8.37 8.49 2gaoA1 LEU 193 HA -0.91 0.00 0.36 -0.75 4.35 3.04 2gaoA1 LEU 193 HB2 0.18 -0.07 0.01 -0.04 1.64 1.71 2gaoA1 LEU 193 HB3 -0.04 0.08 0.04 -0.04 1.64 1.69 2gaoA1 LEU 193 HG -0.04 0.04 -0.26 -0.04 1.64 1.33 2gaoA1 LEU 193 HD13 0.00 0.00 -0.17 -0.04 0.93 0.72 2gaoA1 LEU 193 HD23 -0.06 -0.04 -0.19 -0.04 0.89 0.56 2gaoA1 SER 194 H -0.10 0.50 -0.42 -0.55 8.46 7.89 2gaoA1 SER 194 HA -0.04 -0.08 0.19 -0.75 4.49 3.81 2gaoA1 SER 194 HB2 0.00 0.09 0.02 -0.04 3.95 4.02 2gaoA1 SER 194 HB3 0.03 0.19 0.11 -0.04 3.93 4.22 2gaoA1 GLN 195 H -0.41 0.39 -0.30 -0.55 8.47 7.60 2gaoA1 GLN 195 HA -0.25 0.02 0.45 -0.75 4.36 3.83 2gaoA1 GLN 195 HB2 -0.43 -0.13 0.09 -0.04 2.15 1.65 2gaoA1 GLN 195 HB3 -0.37 -0.02 0.12 -0.04 2.02 1.71 2gaoA1 GLN 195 HG2 -1.25 0.35 0.08 -0.04 2.40 1.54 2gaoA1 GLN 195 HG3 -2.09 -0.03 -0.22 -0.04 2.39 0.00 2gaoA1 GLN 195 HE21 -0.05 0.33 0.12 -0.04 6.97 7.34 2gaoA1 GLN 195 HE22 -0.67 0.29 0.13 -0.04 7.69 7.41 2gaoA1 TYR 196 H -0.41 0.49 -0.33 -0.55 8.29 7.49 2gaoA1 TYR 196 HA -0.11 0.06 0.73 -0.75 4.56 4.49 2gaoA1 TYR 196 HB2 -0.24 0.11 0.09 -0.04 3.06 2.98 2gaoA1 TYR 196 HB3 -0.13 -0.02 0.22 -0.04 2.98 3.01 2gaoA1 TYR 196 HD2 -0.48 -0.00 0.03 -0.04 7.15 6.66 2gaoA1 TYR 196 HE2 -0.55 -0.05 -0.04 -0.04 6.85 6.17 2gaoA1 ILE 197 H -0.07 0.46 -0.24 -0.55 8.25 7.85 2gaoA1 ILE 197 HA 0.01 0.12 0.82 -0.75 4.18 4.38 2gaoA1 ILE 197 HB -0.00 0.10 0.06 -0.04 1.89 2.00 2gaoA1 ILE 197 HG12 -0.01 0.14 -0.20 -0.04 1.49 1.38 2gaoA1 ILE 197 HG13 0.05 -0.12 -0.21 -0.04 1.21 0.89 2gaoA1 ILE 197 HG23 0.01 -0.04 -0.21 -0.04 0.93 0.65 2gaoA1 ILE 197 HD13 0.03 -0.01 -0.31 -0.04 0.88 0.56 2gaoA1 ASP 198 H 0.00 0.12 0.09 -0.55 8.40 8.07 2gaoA1 ASP 198 HA -0.01 0.03 0.24 -0.75 4.63 4.14 2gaoA1 ASP 198 HB2 -0.01 0.07 -0.14 -0.04 2.71 2.59 2gaoA1 ASP 198 HB3 -0.01 0.16 -0.02 -0.04 2.70 2.79