============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 6 0.840 196.083 40.741 230.933 -99.200 -91.000 PHE 9 1.000 189.310 37.166 228.597 -99.200 -91.000 PHE 18 1.000 206.614 50.442 228.668 -99.200 -91.000 PHE 23 1.000 194.569 53.643 234.849 -99.200 -91.000 PHE 24 1.000 196.798 49.257 235.701 -99.200 -91.000 TYR 38 0.840 178.373 44.014 237.061 -99.200 -91.000 HIS 47 0.900 179.834 28.501 231.925 -99.200 -91.000 HIS 51 0.900 185.736 39.715 229.721 -99.200 -91.000 HIS 52 0.900 180.528 36.982 232.928 -99.200 -91.000 TRP 62 1.040 194.480 39.365 246.115 -99.200 -91.000 TRP6 62 1.020 193.221 39.961 248.024 -99.200 -91.000 TRP 71 1.040 198.635 30.206 258.872 -99.200 -91.000 TRP6 71 1.020 200.034 28.871 257.518 -99.200 -91.000 TYR 88 0.840 206.840 39.790 245.419 -99.200 -91.000 PHE 97 1.000 196.985 37.697 240.693 -99.200 -91.000 TRP 102 1.040 189.886 49.047 234.891 -99.200 -91.000 TRP6 102 1.020 191.532 49.171 233.203 -99.200 -91.000 PHE 103 1.000 191.813 43.745 229.797 -99.200 -91.000 HIS 104 0.900 188.712 39.275 232.596 -99.200 -91.000 PHE 110 1.000 182.794 52.132 230.318 -99.200 -91.000 TYR 118 0.840 190.537 54.466 229.544 -99.200 -91.000 PHE 122 1.000 197.557 56.151 229.420 -99.200 -91.000 TRP 125 1.040 196.832 62.004 228.381 -99.200 -91.000 TRP6 125 1.020 198.682 61.965 229.858 -99.200 -91.000 TYR 132 0.840 203.564 70.550 222.234 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2g34A1 MET 1 HA 0.02 -0.03 0.15 -0.75 4.52 3.91 2g34A1 MET 1 HB2 0.02 -0.04 0.13 -0.04 2.15 2.22 2g34A1 MET 1 HB3 0.02 0.02 0.06 -0.04 2.03 2.09 2g34A1 MET 1 HG2 0.02 0.02 -0.01 -0.04 2.63 2.61 2g34A1 MET 1 HG3 0.02 0.04 -0.09 -0.04 2.56 2.49 2g34A1 MET 1 HE3 0.01 0.00 0.02 -0.04 2.10 2.09 2g34A1 ASP 2 H 0.02 0.15 0.07 -0.55 8.40 8.08 2g34A1 ASP 2 HA 0.02 0.17 0.99 -0.75 4.63 5.06 2g34A1 ASP 2 HB2 0.02 0.02 -0.04 -0.04 2.71 2.67 2g34A1 ASP 2 HB3 0.02 -0.01 0.15 -0.04 2.70 2.82 2g34A1 ILE 3 H 0.03 0.31 0.07 -0.55 8.25 8.11 2g34A1 ILE 3 HA 0.02 0.03 0.48 -0.75 4.18 3.96 2g34A1 ILE 3 HB 0.02 -0.03 -0.12 -0.04 1.89 1.71 2g34A1 ILE 3 HG12 0.02 0.04 -0.19 -0.04 1.49 1.32 2g34A1 ILE 3 HG13 0.02 -0.09 -0.49 -0.04 1.21 0.61 2g34A1 ILE 3 HG23 0.01 0.10 0.03 -0.04 0.93 1.03 2g34A1 ILE 3 HD13 0.02 0.00 -0.03 -0.04 0.88 0.83 2g34A1 ASP 4 H 0.04 0.20 0.12 -0.55 8.40 8.22 2g34A1 ASP 4 HA 0.10 0.32 1.03 -0.75 4.63 5.32 2g34A1 ASP 4 HB2 0.06 0.08 0.05 -0.04 2.71 2.86 2g34A1 ASP 4 HB3 0.09 -0.01 0.23 -0.04 2.70 2.97 2g34A1 PRO 5 HA 0.03 0.10 0.38 -0.51 4.44 4.43 2g34A1 PRO 5 HB2 -0.27 0.06 -0.00 -0.04 2.28 2.02 2g34A1 PRO 5 HB3 -0.10 0.07 0.06 -0.04 2.02 2.00 2g34A1 PRO 5 HG2 -0.53 0.00 -0.02 -0.04 2.03 1.44 2g34A1 PRO 5 HG3 -0.19 0.12 0.03 -0.04 2.03 1.96 2g34A1 PRO 5 HD2 0.18 0.05 0.26 -0.04 3.68 4.14 2g34A1 PRO 5 HD3 0.02 0.28 0.13 -0.04 3.65 4.04 2g34A1 TYR 6 H 0.32 -0.01 -0.53 -0.55 8.29 7.53 2g34A1 TYR 6 HA 0.22 0.22 0.54 -0.75 4.56 4.79 2g34A1 TYR 6 HB2 -0.05 -0.07 -0.33 -0.04 3.06 2.57 2g34A1 TYR 6 HB3 -0.12 0.05 -0.24 -0.04 2.98 2.63 2g34A1 TYR 6 HD2 -0.67 -0.03 -0.09 -0.04 7.15 6.32 2g34A1 TYR 6 HE2 -0.41 0.05 -0.06 -0.04 6.85 6.38 2g34A1 LYS 7 H 0.18 0.12 -0.15 -0.55 8.42 8.02 2g34A1 LYS 7 HA 0.12 0.09 0.45 -0.75 4.32 4.23 2g34A1 LYS 7 HB2 0.08 -0.08 0.20 -0.04 1.87 2.03 2g34A1 LYS 7 HB3 0.06 0.05 0.13 -0.04 1.79 1.99 2g34A1 LYS 7 HG2 0.04 0.02 -0.09 -0.04 1.46 1.38 2g34A1 LYS 7 HG3 0.05 0.04 0.11 -0.04 1.46 1.62 2g34A1 LYS 7 HD2 0.04 -0.05 0.06 -0.04 1.69 1.70 2g34A1 LYS 7 HD3 0.03 0.00 0.02 -0.04 1.68 1.69 2g34A1 LYS 7 HE2 0.02 0.02 -0.00 -0.04 2.99 2.99 2g34A1 LYS 7 HE3 0.03 0.01 0.01 -0.04 2.99 3.00 2g34A1 GLU 8 H 0.05 0.20 -0.25 -0.55 8.60 8.06 2g34A1 GLU 8 HA -0.07 0.08 0.46 -0.75 4.29 4.01 2g34A1 GLU 8 HB2 -0.15 0.01 0.08 -0.04 2.09 2.00 2g34A1 GLU 8 HB3 -0.13 0.02 0.05 -0.04 1.99 1.89 2g34A1 GLU 8 HG2 -1.06 0.04 -0.35 -0.04 2.34 0.93 2g34A1 GLU 8 HG3 -0.42 -0.00 -0.08 -0.04 2.34 1.79 2g34A1 PHE 9 H 0.24 0.21 -0.45 -0.55 8.34 7.79 2g34A1 PHE 9 HA -0.01 0.05 0.53 -0.75 4.62 4.44 2g34A1 PHE 9 HB2 0.23 0.12 0.04 -0.04 3.15 3.50 2g34A1 PHE 9 HB3 0.13 -0.03 0.13 -0.04 3.06 3.25 2g34A1 PHE 9 HD2 -0.21 0.08 0.09 -0.04 7.28 7.19 2g34A1 PHE 9 HE2 -0.51 -0.10 0.02 -0.04 7.38 6.75 2g34A1 PHE 9 HZ 0.03 -0.05 -0.17 -0.04 7.32 7.09 2g34A1 GLY 10 H 0.08 0.26 -1.17 -0.55 8.43 7.05 2g34A1 GLY 10 HA2 0.08 0.07 0.37 -0.51 4.01 4.02 2g34A1 GLY 10 HA3 0.09 -0.06 0.34 -0.51 4.01 3.87 2g34A1 ALA 11 H 0.16 0.11 -0.09 -0.55 8.40 8.03 2g34A1 ALA 11 HA 0.14 0.14 0.54 -0.75 4.34 4.40 2g34A1 ALA 11 HB3 0.27 0.02 -0.22 -0.04 1.41 1.44 2g34A1 THR 12 H 0.01 0.31 0.07 -0.55 8.28 8.13 2g34A1 THR 12 HA -0.00 0.13 0.83 -0.75 4.39 4.59 2g34A1 THR 12 HB 0.03 0.15 -0.11 -0.04 4.32 4.34 2g34A1 THR 12 HG23 0.03 -0.02 -0.02 -0.04 1.22 1.17 2g34A1 VAL 13 H -0.11 0.18 0.13 -0.55 8.24 7.88 2g34A1 VAL 13 HA -0.59 0.14 0.36 -0.75 4.13 3.29 2g34A1 VAL 13 HB -0.20 0.02 0.12 -0.04 2.12 2.01 2g34A1 VAL 13 HG13 -0.03 -0.00 0.11 -0.04 0.97 1.00 2g34A1 VAL 13 HG23 -0.12 0.03 -0.12 -0.04 0.95 0.70 2g34A1 GLU 14 H -0.03 0.10 -0.08 -0.55 8.60 8.05 2g34A1 GLU 14 HA 0.07 0.08 0.34 -0.75 4.29 4.02 2g34A1 GLU 14 HB2 0.05 -0.04 0.02 -0.04 2.09 2.08 2g34A1 GLU 14 HB3 0.12 0.11 -0.05 -0.04 1.99 2.13 2g34A1 GLU 14 HG2 0.07 0.05 0.03 -0.04 2.34 2.45 2g34A1 GLU 14 HG3 0.03 -0.11 0.07 -0.04 2.34 2.29 2g34A1 LEU 15 H 0.02 0.04 -0.33 -0.55 8.37 7.56 2g34A1 LEU 15 HA 0.13 0.08 0.29 -0.75 4.35 4.10 2g34A1 LEU 15 HB2 0.08 -0.02 0.06 -0.04 1.64 1.72 2g34A1 LEU 15 HB3 0.02 0.07 0.07 -0.04 1.64 1.76 2g34A1 LEU 15 HG 0.15 0.06 -0.12 -0.04 1.64 1.69 2g34A1 LEU 15 HD13 0.13 -0.04 0.02 -0.04 0.93 1.00 2g34A1 LEU 15 HD23 0.05 0.06 -0.31 -0.04 0.89 0.65 2g34A1 LEU 16 H -0.06 0.24 -0.64 -0.55 8.37 7.37 2g34A1 LEU 16 HA 0.15 0.16 0.51 -0.75 4.35 4.41 2g34A1 LEU 16 HB2 -0.23 0.12 0.13 -0.04 1.64 1.62 2g34A1 LEU 16 HB3 -0.08 -0.05 -0.05 -0.04 1.64 1.42 2g34A1 LEU 16 HG -0.30 0.02 -0.05 -0.04 1.64 1.27 2g34A1 LEU 16 HD13 -0.69 -0.04 -0.10 -0.04 0.93 0.05 2g34A1 LEU 16 HD23 0.17 0.02 -0.12 -0.04 0.89 0.91 2g34A1 SER 17 H -0.01 0.35 0.16 -0.55 8.46 8.42 2g34A1 SER 17 HA -0.07 -0.04 0.34 -0.75 4.49 3.97 2g34A1 SER 17 HB2 -0.02 -0.09 0.01 -0.04 3.95 3.81 2g34A1 SER 17 HB3 0.07 0.02 0.03 -0.04 3.93 4.01 2g34A1 PHE 18 H 0.17 0.55 -0.62 -0.55 8.34 7.89 2g34A1 PHE 18 HA 0.10 0.16 1.09 -0.75 4.62 5.21 2g34A1 PHE 18 HB2 0.07 -0.01 -0.00 -0.04 3.15 3.17 2g34A1 PHE 18 HB3 0.09 0.02 0.15 -0.04 3.06 3.27 2g34A1 PHE 18 HD2 0.05 -0.01 -0.10 -0.04 7.28 7.18 2g34A1 PHE 18 HE2 0.04 -0.04 -0.04 -0.04 7.38 7.29 2g34A1 PHE 18 HZ 0.03 -0.04 -0.02 -0.04 7.32 7.25 2g34A1 LEU 19 H 0.01 0.25 -0.78 -0.55 8.37 7.30 2g34A1 LEU 19 HA 0.23 0.01 0.33 -0.75 4.35 4.17 2g34A1 LEU 19 HB2 0.31 0.18 0.08 -0.04 1.64 2.17 2g34A1 LEU 19 HB3 0.18 -0.02 0.13 -0.04 1.64 1.90 2g34A1 LEU 19 HG -0.15 -0.05 0.02 -0.04 1.64 1.42 2g34A1 LEU 19 HD13 0.02 0.01 0.05 -0.04 0.93 0.97 2g34A1 LEU 19 HD23 -0.43 -0.01 0.03 -0.04 0.89 0.44 2g34A1 PRO 20 HA 0.02 -0.01 0.50 -0.51 4.44 4.44 2g34A1 PRO 20 HB2 -0.01 0.03 0.07 -0.04 2.28 2.34 2g34A1 PRO 20 HB3 -0.01 -0.05 0.10 -0.04 2.02 2.02 2g34A1 PRO 20 HG2 -0.02 0.05 0.08 -0.04 2.03 2.10 2g34A1 PRO 20 HG3 -0.12 0.06 0.14 -0.04 2.03 2.07 2g34A1 PRO 20 HD2 0.05 0.15 0.09 -0.04 3.68 3.93 2g34A1 PRO 20 HD3 -0.16 0.20 0.10 -0.04 3.65 3.74 2g34A1 SER 21 H 0.10 0.11 0.17 -0.55 8.46 8.30 2g34A1 SER 21 HA 0.63 0.07 0.41 -0.75 4.49 4.85 2g34A1 SER 21 HB2 0.14 0.04 0.01 -0.04 3.95 4.10 2g34A1 SER 21 HB3 0.11 -0.02 0.14 -0.04 3.93 4.12 2g34A1 ASP 22 H 0.02 0.00 -0.29 -0.55 8.40 7.59 2g34A1 ASP 22 HA 0.01 -0.00 0.23 -0.75 4.63 4.11 2g34A1 ASP 22 HB2 -0.03 0.03 -0.02 -0.04 2.71 2.65 2g34A1 ASP 22 HB3 -0.00 -0.07 0.04 -0.04 2.70 2.62 2g34A1 PHE 23 H -0.14 0.39 -0.62 -0.55 8.34 7.42 2g34A1 PHE 23 HA -0.38 -0.03 0.32 -0.75 4.62 3.77 2g34A1 PHE 23 HB2 -0.62 -0.03 0.02 -0.04 3.15 2.47 2g34A1 PHE 23 HB3 -1.34 0.07 0.11 -0.04 3.06 1.86 2g34A1 PHE 23 HD2 -0.71 0.05 -0.27 -0.04 7.28 6.31 2g34A1 PHE 23 HE2 -0.53 -0.02 -0.05 -0.04 7.38 6.74 2g34A1 PHE 23 HZ -0.37 -0.04 -0.03 -0.04 7.32 6.85 2g34A1 PHE 24 H -1.83 0.08 0.05 -0.55 8.34 6.09 2g34A1 PHE 24 HA -0.73 -0.01 0.37 -0.75 4.62 3.49 2g34A1 PHE 24 HB2 -0.17 -0.02 0.11 -0.04 3.15 3.03 2g34A1 PHE 24 HB3 -0.30 -0.07 -0.04 -0.04 3.06 2.62 2g34A1 PHE 24 HD2 -0.53 0.05 0.13 -0.04 7.28 6.89 2g34A1 PHE 24 HE2 -0.12 -0.05 -0.08 -0.04 7.38 7.10 2g34A1 PHE 24 HZ -0.06 0.21 0.03 -0.04 7.32 7.46 2g34A1 PRO 25 HA -0.02 0.08 0.39 -0.51 4.44 4.39 2g34A1 PRO 25 HB2 -0.03 -0.05 -0.03 -0.04 2.28 2.13 2g34A1 PRO 25 HB3 -0.02 -0.07 0.13 -0.04 2.02 2.03 2g34A1 PRO 25 HG2 -0.06 -0.01 0.06 -0.04 2.03 1.99 2g34A1 PRO 25 HG3 -0.03 0.10 0.13 -0.04 2.03 2.19 2g34A1 PRO 25 HD2 -0.29 -0.02 0.15 -0.04 3.68 3.47 2g34A1 PRO 25 HD3 -0.14 0.26 0.12 -0.04 3.65 3.86 2g34A1 SER 26 H -0.01 0.07 0.15 -0.55 8.46 8.13 2g34A1 SER 26 HA 0.00 0.14 0.48 -0.75 4.49 4.35 2g34A1 SER 26 HB2 0.00 0.12 0.15 -0.04 3.95 4.18 2g34A1 SER 26 HB3 -0.01 -0.08 0.14 -0.04 3.93 3.94 2g34A1 VAL 27 H -0.04 0.20 0.18 -0.55 8.24 8.03 2g34A1 VAL 27 HA -0.11 0.12 0.33 -0.75 4.13 3.71 2g34A1 VAL 27 HB -0.45 0.03 0.00 -0.04 2.12 1.65 2g34A1 VAL 27 HG13 -0.17 0.04 0.08 -0.04 0.97 0.88 2g34A1 VAL 27 HG23 -0.08 -0.06 0.11 -0.04 0.95 0.88 2g34A1 ARG 28 H -0.07 0.09 -0.17 -0.55 8.46 7.76 2g34A1 ARG 28 HA -0.08 0.01 0.31 -0.75 4.34 3.82 2g34A1 ARG 28 HB2 -0.01 -0.08 0.08 -0.04 1.90 1.84 2g34A1 ARG 28 HB3 -0.01 0.06 -0.01 -0.04 1.80 1.80 2g34A1 ARG 28 HG2 0.00 -0.03 0.06 -0.04 1.67 1.66 2g34A1 ARG 28 HG3 0.02 0.06 0.03 -0.04 1.67 1.74 2g34A1 ARG 28 HD2 -0.06 -0.05 0.01 -0.04 3.22 3.08 2g34A1 ARG 28 HD3 0.06 0.05 0.01 -0.04 3.22 3.30 2g34A1 ASP 29 H -0.02 0.07 -0.11 -0.55 8.40 7.79 2g34A1 ASP 29 HA -0.01 -0.01 0.30 -0.75 4.63 4.15 2g34A1 ASP 29 HB2 -0.01 0.10 0.06 -0.04 2.71 2.83 2g34A1 ASP 29 HB3 -0.00 0.03 -0.00 -0.04 2.70 2.69 2g34A1 LEU 30 H -0.01 0.39 -0.33 -0.55 8.37 7.87 2g34A1 LEU 30 HA 0.04 -0.05 0.30 -0.75 4.35 3.89 2g34A1 LEU 30 HB2 -0.03 0.10 0.15 -0.04 1.64 1.81 2g34A1 LEU 30 HB3 0.06 -0.09 -0.02 -0.04 1.64 1.54 2g34A1 LEU 30 HG -0.00 0.21 -0.34 -0.04 1.64 1.47 2g34A1 LEU 30 HD13 0.01 0.04 -0.21 -0.04 0.93 0.73 2g34A1 LEU 30 HD23 0.06 -0.03 -0.10 -0.04 0.89 0.78 2g34A1 LEU 31 H -0.08 0.95 0.10 -0.55 8.37 8.80 2g34A1 LEU 31 HA -0.05 -0.08 0.30 -0.75 4.35 3.77 2g34A1 LEU 31 HB2 -0.18 -0.04 -0.01 -0.04 1.64 1.36 2g34A1 LEU 31 HB3 -0.09 -0.03 0.20 -0.04 1.64 1.69 2g34A1 LEU 31 HG -0.04 0.01 -0.18 -0.04 1.64 1.39 2g34A1 LEU 31 HD13 -0.08 -0.01 -0.04 -0.04 0.93 0.76 2g34A1 LEU 31 HD23 -0.09 -0.02 -0.03 -0.04 0.89 0.71 2g34A1 ASP 32 H -0.03 0.22 0.02 -0.55 8.40 8.06 2g34A1 ASP 32 HA -0.01 -0.10 0.31 -0.75 4.63 4.07 2g34A1 ASP 32 HB2 -0.01 0.08 0.00 -0.04 2.71 2.74 2g34A1 ASP 32 HB3 -0.01 -0.02 -0.03 -0.04 2.70 2.59 2g34A1 THR 33 H -0.01 0.58 -0.32 -0.55 8.28 7.99 2g34A1 THR 33 HA -0.02 -0.08 0.28 -0.75 4.39 3.82 2g34A1 THR 33 HB 0.03 0.13 0.28 -0.04 4.32 4.71 2g34A1 THR 33 HG23 0.02 -0.03 -0.09 -0.04 1.22 1.08 2g34A1 ALA 34 H 0.03 0.45 0.14 -0.55 8.40 8.48 2g34A1 ALA 34 HA 0.10 -0.07 0.30 -0.75 4.34 3.92 2g34A1 ALA 34 HB3 0.06 -0.03 0.08 -0.04 1.41 1.47 2g34A1 ALA 35 H 0.01 0.59 -0.15 -0.55 8.40 8.31 2g34A1 ALA 35 HA 0.02 -0.10 0.32 -0.75 4.34 3.83 2g34A1 ALA 35 HB3 -0.00 0.02 0.04 -0.04 1.41 1.42 2g34A1 ALA 36 H -0.03 0.39 0.10 -0.55 8.40 8.31 2g34A1 ALA 36 HA -0.05 -0.12 0.43 -0.75 4.34 3.84 2g34A1 ALA 36 HB3 -0.05 0.01 0.20 -0.04 1.41 1.54 2g34A1 LEU 37 H -0.16 0.70 -0.31 -0.55 8.37 8.06 2g34A1 LEU 37 HA -0.36 0.12 0.94 -0.75 4.35 4.30 2g34A1 LEU 37 HB2 -0.57 0.20 0.12 -0.04 1.64 1.35 2g34A1 LEU 37 HB3 -0.98 -0.11 0.04 -0.04 1.64 0.55 2g34A1 LEU 37 HG -0.14 0.62 -0.27 -0.04 1.64 1.80 2g34A1 LEU 37 HD13 -0.04 -0.08 -0.25 -0.04 0.93 0.52 2g34A1 LEU 37 HD23 -0.17 -0.01 -0.08 -0.04 0.89 0.59 2g34A1 TYR 38 H -0.12 0.41 0.43 -0.55 8.29 8.45 2g34A1 TYR 38 HA -0.05 0.14 0.76 -0.75 4.56 4.66 2g34A1 TYR 38 HB2 -0.08 0.03 -0.02 -0.04 3.06 2.95 2g34A1 TYR 38 HB3 -0.10 -0.09 0.12 -0.04 2.98 2.86 2g34A1 TYR 38 HD2 -0.07 0.00 -0.02 -0.04 7.15 7.03 2g34A1 TYR 38 HE2 -0.08 0.00 -0.06 -0.04 6.85 6.67 2g34A1 ARG 39 H -0.03 0.32 0.28 -0.55 8.46 8.48 2g34A1 ARG 39 HA 0.02 0.04 0.33 -0.75 4.34 3.98 2g34A1 ARG 39 HB2 -0.02 0.06 0.00 -0.04 1.90 1.91 2g34A1 ARG 39 HB3 -0.02 -0.07 0.03 -0.04 1.80 1.70 2g34A1 ARG 39 HG2 0.00 0.03 -0.26 -0.04 1.67 1.40 2g34A1 ARG 39 HG3 0.01 -0.01 -0.04 -0.04 1.67 1.59 2g34A1 ARG 39 HD2 -0.01 -0.00 -0.05 -0.04 3.22 3.12 2g34A1 ARG 39 HD3 -0.01 0.00 -0.05 -0.04 3.22 3.12 2g34A1 ASP 40 H -0.00 0.06 -0.35 -0.55 8.40 7.56 2g34A1 ASP 40 HA 0.00 0.05 0.30 -0.75 4.63 4.23 2g34A1 ASP 40 HB2 0.01 -0.12 0.11 -0.04 2.71 2.66 2g34A1 ASP 40 HB3 0.00 0.03 0.01 -0.04 2.70 2.70 2g34A1 ALA 41 H 0.02 0.07 0.01 -0.55 8.40 7.96 2g34A1 ALA 41 HA -0.00 -0.03 0.31 -0.75 4.34 3.87 2g34A1 ALA 41 HB3 -0.03 -0.00 0.10 -0.04 1.41 1.43 2g34A1 LEU 42 H 0.02 0.57 -0.42 -0.55 8.37 7.99 2g34A1 LEU 42 HA -0.03 -0.07 0.32 -0.75 4.35 3.82 2g34A1 LEU 42 HB2 0.02 0.18 0.05 -0.04 1.64 1.85 2g34A1 LEU 42 HB3 0.02 -0.09 -0.02 -0.04 1.64 1.52 2g34A1 LEU 42 HG 0.07 0.18 -1.16 -0.04 1.64 0.69 2g34A1 LEU 42 HD13 0.06 -0.00 -0.06 -0.04 0.93 0.89 2g34A1 LEU 42 HD23 0.01 -0.02 -0.10 -0.04 0.89 0.73 2g34A1 GLU 43 H 0.02 0.69 -0.13 -0.55 8.60 8.64 2g34A1 GLU 43 HA 0.03 0.06 0.73 -0.75 4.29 4.35 2g34A1 GLU 43 HB2 0.01 0.07 0.18 -0.04 2.09 2.32 2g34A1 GLU 43 HB3 0.02 -0.09 0.19 -0.04 1.99 2.07 2g34A1 GLU 43 HG2 0.02 -0.03 -0.03 -0.04 2.34 2.26 2g34A1 GLU 43 HG3 0.02 0.01 -0.04 -0.04 2.34 2.29 2g34A1 SER 44 H 0.03 0.46 -0.40 -0.55 8.46 8.00 2g34A1 SER 44 HA 0.02 0.18 0.98 -0.75 4.49 4.92 2g34A1 SER 44 HB2 0.01 -0.01 -0.06 -0.04 3.95 3.86 2g34A1 SER 44 HB3 0.02 0.22 0.19 -0.04 3.93 4.32 2g34A1 PRO 45 HA 0.07 0.10 0.42 -0.51 4.44 4.51 2g34A1 PRO 45 HB2 0.03 -0.00 0.08 -0.04 2.28 2.34 2g34A1 PRO 45 HB3 0.04 0.01 0.15 -0.04 2.02 2.18 2g34A1 PRO 45 HG2 0.02 0.02 0.07 -0.04 2.03 2.10 2g34A1 PRO 45 HG3 0.03 0.06 0.02 -0.04 2.03 2.09 2g34A1 PRO 45 HD2 0.02 0.08 0.17 -0.04 3.68 3.90 2g34A1 PRO 45 HD3 0.02 0.25 0.25 -0.04 3.65 4.14 2g34A1 GLU 46 H 0.06 0.27 -0.87 -0.55 8.60 7.51 2g34A1 GLU 46 HA -0.04 0.14 0.84 -0.75 4.29 4.47 2g34A1 GLU 46 HB2 0.00 0.01 0.07 -0.04 2.09 2.13 2g34A1 GLU 46 HB3 -0.06 -0.05 0.01 -0.04 1.99 1.85 2g34A1 GLU 46 HG2 0.00 -0.04 -0.43 -0.04 2.34 1.83 2g34A1 GLU 46 HG3 -0.02 -0.01 -0.07 -0.04 2.34 2.20 2g34A1 HIS 47 H -0.26 0.20 -0.01 -0.55 8.41 7.79 2g34A1 HIS 47 HA 0.15 0.15 0.49 -0.75 4.63 4.67 2g34A1 HIS 47 HB2 0.01 -0.02 0.13 -0.04 3.26 3.33 2g34A1 HIS 47 HB3 0.05 0.05 0.08 -0.04 3.20 3.33 2g34A1 HIS 47 HD2 -0.02 -0.01 -0.05 -0.04 6.97 6.84 2g34A1 HIS 47 HE1 0.01 0.05 0.01 -0.04 7.75 7.77 2g34A1 ALA 48 H 0.06 0.44 -0.68 -0.55 8.40 7.67 2g34A1 ALA 48 HA -0.07 -0.00 0.25 -0.75 4.34 3.76 2g34A1 ALA 48 HB3 0.17 -0.00 0.05 -0.04 1.41 1.59 2g34A1 SER 49 H -0.98 0.06 -0.23 -0.55 8.46 6.77 2g34A1 SER 49 HA -0.22 0.28 1.04 -0.75 4.49 4.84 2g34A1 SER 49 HB2 -0.10 0.06 0.08 -0.04 3.95 3.95 2g34A1 SER 49 HB3 -0.44 0.02 0.00 -0.04 3.93 3.47 2g34A1 PRO 50 HA -0.02 0.07 0.39 -0.51 4.44 4.38 2g34A1 PRO 50 HB2 -0.11 -0.02 0.09 -0.04 2.28 2.19 2g34A1 PRO 50 HB3 -0.17 0.04 0.07 -0.04 2.02 1.92 2g34A1 PRO 50 HG2 -0.29 0.07 0.09 -0.04 2.03 1.86 2g34A1 PRO 50 HG3 -0.14 0.08 0.10 -0.04 2.03 2.03 2g34A1 PRO 50 HD2 -0.19 0.05 0.22 -0.04 3.68 3.73 2g34A1 PRO 50 HD3 -0.14 0.26 0.28 -0.04 3.65 4.00 2g34A1 HIS 51 H -0.26 0.15 -0.18 -0.55 8.41 7.57 2g34A1 HIS 51 HA -0.24 0.02 0.28 -0.75 4.63 3.94 2g34A1 HIS 51 HB2 -0.09 -0.06 -0.02 -0.04 3.26 3.05 2g34A1 HIS 51 HB3 -0.32 0.07 -0.06 -0.04 3.20 2.84 2g34A1 HIS 51 HD2 -0.15 -0.02 0.02 -0.04 6.97 6.78 2g34A1 HIS 51 HE1 -0.49 0.06 0.03 -0.04 7.75 7.30 2g34A1 HIS 52 H 0.04 0.14 -0.42 -0.55 8.41 7.63 2g34A1 HIS 52 HA 0.06 -0.01 0.31 -0.75 4.63 4.23 2g34A1 HIS 52 HB2 0.08 -0.08 0.17 -0.04 3.26 3.39 2g34A1 HIS 52 HB3 0.05 0.07 0.04 -0.04 3.20 3.31 2g34A1 HIS 52 HD2 0.02 0.08 -0.03 -0.04 6.97 7.00 2g34A1 HIS 52 HE1 -0.08 0.04 -0.02 -0.04 7.75 7.65 2g34A1 THR 53 H 0.17 0.19 0.04 -0.55 8.28 8.13 2g34A1 THR 53 HA 0.08 -0.02 0.33 -0.75 4.39 4.03 2g34A1 THR 53 HB 0.06 0.03 0.20 -0.04 4.32 4.56 2g34A1 THR 53 HG23 -0.01 -0.02 -0.10 -0.04 1.22 1.05 2g34A1 ALA 54 H 0.16 0.46 -0.21 -0.55 8.40 8.26 2g34A1 ALA 54 HA 0.05 -0.08 0.33 -0.75 4.34 3.89 2g34A1 ALA 54 HB3 0.18 -0.01 0.04 -0.04 1.41 1.57 2g34A1 LEU 55 H 0.17 0.56 0.11 -0.55 8.37 8.67 2g34A1 LEU 55 HA -0.03 -0.10 0.37 -0.75 4.35 3.84 2g34A1 LEU 55 HB2 0.16 -0.03 0.11 -0.04 1.64 1.83 2g34A1 LEU 55 HB3 0.12 0.49 0.26 -0.04 1.64 2.47 2g34A1 LEU 55 HG 0.05 -0.03 -0.19 -0.04 1.64 1.42 2g34A1 LEU 55 HD13 0.02 -0.03 -0.05 -0.04 0.93 0.82 2g34A1 LEU 55 HD23 0.05 -0.01 -0.04 -0.04 0.89 0.84 2g34A1 ARG 56 H 0.07 0.40 -0.05 -0.55 8.46 8.33 2g34A1 ARG 56 HA 0.06 -0.10 0.39 -0.75 4.34 3.94 2g34A1 ARG 56 HB2 0.05 -0.07 -0.01 -0.04 1.90 1.83 2g34A1 ARG 56 HB3 0.05 -0.04 0.12 -0.04 1.80 1.89 2g34A1 ARG 56 HG2 0.06 0.65 0.19 -0.04 1.67 2.53 2g34A1 ARG 56 HG3 0.05 -0.11 0.07 -0.04 1.67 1.64 2g34A1 ARG 56 HD2 0.06 -0.03 0.02 -0.04 3.22 3.22 2g34A1 ARG 56 HD3 0.08 -0.03 0.04 -0.04 3.22 3.27 2g34A1 GLN 57 H 0.03 0.82 0.07 -0.55 8.47 8.84 2g34A1 GLN 57 HA 0.05 -0.08 0.41 -0.75 4.36 3.98 2g34A1 GLN 57 HB2 -0.01 -0.05 0.12 -0.04 2.15 2.17 2g34A1 GLN 57 HB3 0.02 -0.08 0.03 -0.04 2.02 1.95 2g34A1 GLN 57 HG2 0.02 0.40 0.23 -0.04 2.40 3.01 2g34A1 GLN 57 HG3 0.01 -0.10 0.04 -0.04 2.39 2.30 2g34A1 GLN 57 HE21 0.02 -0.05 0.00 -0.04 6.97 6.89 2g34A1 GLN 57 HE22 0.02 0.22 0.06 -0.04 7.69 7.95 2g34A1 ALA 58 H -0.01 0.27 -0.14 -0.55 8.40 7.97 2g34A1 ALA 58 HA 0.20 -0.05 0.30 -0.75 4.34 4.03 2g34A1 ALA 58 HB3 -0.05 0.03 0.06 -0.04 1.41 1.41 2g34A1 ILE 59 H 0.08 0.51 -0.32 -0.55 8.25 7.97 2g34A1 ILE 59 HA 0.14 -0.07 0.36 -0.75 4.18 3.86 2g34A1 ILE 59 HB 0.08 0.12 0.35 -0.04 1.89 2.40 2g34A1 ILE 59 HG12 0.03 -0.06 -0.05 -0.04 1.49 1.37 2g34A1 ILE 59 HG13 0.04 0.25 -0.29 -0.04 1.21 1.17 2g34A1 ILE 59 HG23 0.09 -0.03 -0.07 -0.04 0.93 0.88 2g34A1 ILE 59 HD13 0.04 -0.02 -0.08 -0.04 0.88 0.79 2g34A1 LEU 60 H 0.10 0.67 0.20 -0.55 8.37 8.80 2g34A1 LEU 60 HA 0.10 -0.09 0.36 -0.75 4.35 3.97 2g34A1 LEU 60 HB2 0.06 -0.01 0.11 -0.04 1.64 1.77 2g34A1 LEU 60 HB3 0.08 0.07 0.22 -0.04 1.64 1.97 2g34A1 LEU 60 HG 0.05 -0.08 -0.09 -0.04 1.64 1.47 2g34A1 LEU 60 HD13 0.03 0.00 -0.01 -0.04 0.93 0.91 2g34A1 LEU 60 HD23 0.05 0.05 -0.09 -0.04 0.89 0.86 2g34A1 ALA 61 H 0.12 0.35 0.05 -0.55 8.40 8.37 2g34A1 ALA 61 HA 0.08 -0.06 0.30 -0.75 4.34 3.91 2g34A1 ALA 61 HB3 0.24 -0.01 0.02 -0.04 1.41 1.62 2g34A1 TRP 62 H 0.37 0.69 -0.33 -0.55 7.97 8.15 2g34A1 TRP 62 HA -0.07 -0.08 0.60 -0.75 4.62 4.33 2g34A1 TRP 62 HB2 0.12 0.03 0.17 -0.04 3.23 3.51 2g34A1 TRP 62 HB3 0.07 0.07 0.29 -0.04 3.23 3.62 2g34A1 TRP 62 HD1 -0.30 0.02 -0.06 -0.04 7.22 6.83 2g34A1 TRP 62 HE1 -0.10 -0.04 -0.06 -0.04 10.20 9.96 2g34A1 TRP 62 HE3 0.02 0.15 -0.31 -0.04 7.59 7.40 2g34A1 TRP 62 HZ2 -0.02 -0.01 -0.00 -0.04 7.44 7.36 2g34A1 TRP 62 HZ3 0.01 0.01 -0.03 -0.04 7.13 7.09 2g34A1 TRP 62 HH2 0.00 -0.00 -0.01 -0.04 7.19 7.14 2g34A1 GLY 63 H 0.49 1.26 0.41 -0.55 8.43 10.04 2g34A1 GLY 63 HA2 0.51 -0.10 0.43 -0.51 4.01 4.35 2g34A1 GLY 63 HA3 0.27 -0.02 0.33 -0.51 4.01 4.08 2g34A1 ASP 64 H 0.08 0.67 0.01 -0.55 8.40 8.62 2g34A1 ASP 64 HA -0.01 -0.04 0.32 -0.75 4.63 4.15 2g34A1 ASP 64 HB2 0.02 -0.09 -0.03 -0.04 2.71 2.57 2g34A1 ASP 64 HB3 0.01 0.11 -0.26 -0.04 2.70 2.52 2g34A1 LEU 65 H -0.10 0.30 -0.66 -0.55 8.37 7.36 2g34A1 LEU 65 HA -0.14 -0.05 0.47 -0.75 4.35 3.87 2g34A1 LEU 65 HB2 -0.19 0.19 0.30 -0.04 1.64 1.90 2g34A1 LEU 65 HB3 -0.48 0.03 0.62 -0.04 1.64 1.78 2g34A1 LEU 65 HG -0.64 -0.08 -0.16 -0.04 1.64 0.72 2g34A1 LEU 65 HD13 -0.18 -0.05 -0.02 -0.04 0.93 0.64 2g34A1 LEU 65 HD23 -0.43 -0.03 -0.03 -0.04 0.89 0.37 2g34A1 MET 66 H -0.89 0.87 0.22 -0.55 8.47 8.12 2g34A1 MET 66 HA -0.46 -0.07 0.47 -0.75 4.52 3.72 2g34A1 MET 66 HB2 -1.55 -0.04 0.11 -0.04 2.15 0.63 2g34A1 MET 66 HB3 -0.76 0.13 0.15 -0.04 2.03 1.51 2g34A1 MET 66 HG2 -0.12 0.03 -0.31 -0.04 2.63 2.18 2g34A1 MET 66 HG3 -0.19 -0.07 0.02 -0.04 2.56 2.28 2g34A1 MET 66 HE3 0.12 -0.01 -0.00 -0.04 2.10 2.17 2g34A1 THR 67 H -0.17 0.84 -0.16 -0.55 8.28 8.23 2g34A1 THR 67 HA -0.03 -0.06 0.31 -0.75 4.39 3.86 2g34A1 THR 67 HB -0.05 0.22 0.10 -0.04 4.32 4.56 2g34A1 THR 67 HG23 -0.02 -0.04 -0.02 -0.04 1.22 1.11 2g34A1 LEU 68 H -0.09 0.45 -0.81 -0.55 8.37 7.37 2g34A1 LEU 68 HA 0.13 0.02 0.73 -0.75 4.35 4.47 2g34A1 LEU 68 HB2 0.03 -0.05 0.09 -0.04 1.64 1.66 2g34A1 LEU 68 HB3 -0.03 0.30 0.31 -0.04 1.64 2.17 2g34A1 LEU 68 HG 0.07 -0.01 -0.29 -0.04 1.64 1.37 2g34A1 LEU 68 HD13 0.48 -0.05 -0.03 -0.04 0.93 1.29 2g34A1 LEU 68 HD23 0.06 -0.02 -0.01 -0.04 0.89 0.88 2g34A1 ALA 69 H -0.11 0.72 0.34 -0.55 8.40 8.80 2g34A1 ALA 69 HA -0.04 -0.04 0.37 -0.75 4.34 3.87 2g34A1 ALA 69 HB3 -0.16 -0.01 0.13 -0.04 1.41 1.33 2g34A1 THR 70 H -0.02 0.70 -0.24 -0.55 8.28 8.17 2g34A1 THR 70 HA -0.00 -0.01 0.38 -0.75 4.39 4.00 2g34A1 THR 70 HB 0.04 -0.02 -0.05 -0.04 4.32 4.25 2g34A1 THR 70 HG23 -0.00 0.00 -0.02 -0.04 1.22 1.15 2g34A1 TRP 71 H 0.21 0.28 -0.28 -0.55 7.97 7.63 2g34A1 TRP 71 HA -0.03 -0.02 0.28 -0.75 4.62 4.10 2g34A1 TRP 71 HB2 -0.03 0.05 0.20 -0.04 3.23 3.40 2g34A1 TRP 71 HB3 -0.04 0.24 0.21 -0.04 3.23 3.60 2g34A1 TRP 71 HD1 -0.02 0.01 0.07 -0.04 7.22 7.24 2g34A1 TRP 71 HE1 -0.01 -0.01 0.03 -0.04 10.20 10.16 2g34A1 TRP 71 HE3 -0.04 0.06 -0.03 -0.04 7.59 7.55 2g34A1 TRP 71 HZ2 -0.01 0.01 -0.02 -0.04 7.44 7.38 2g34A1 TRP 71 HZ3 -0.02 -0.01 -0.04 -0.04 7.13 7.02 2g34A1 TRP 71 HH2 -0.02 -0.01 -0.03 -0.04 7.19 7.10 2g34A1 VAL 72 H -0.02 0.47 -0.31 -0.55 8.24 7.83 2g34A1 VAL 72 HA -0.61 -0.08 0.31 -0.75 4.13 3.00 2g34A1 VAL 72 HB -0.11 0.20 0.11 -0.04 2.12 2.27 2g34A1 VAL 72 HG13 -0.17 -0.05 -0.03 -0.04 0.97 0.69 2g34A1 VAL 72 HG23 -0.10 -0.00 0.06 -0.04 0.95 0.87 2g34A1 GLY 73 H -0.09 0.58 -0.46 -0.55 8.43 7.91 2g34A1 GLY 73 HA2 -0.10 -0.01 0.56 -0.51 4.01 3.95 2g34A1 GLY 73 HA3 -0.05 -0.05 0.38 -0.51 4.01 3.78 2g34A1 THR 74 H -0.23 0.23 -0.35 -0.55 8.28 7.38 2g34A1 THR 74 HA 0.00 0.11 0.83 -0.75 4.39 4.58 2g34A1 THR 74 HB 0.27 -0.05 0.19 -0.04 4.32 4.69 2g34A1 THR 74 HG23 0.15 -0.03 -0.07 -0.04 1.22 1.23 2g34A1 ASN 75 H -0.26 0.27 0.12 -0.55 8.53 8.11 2g34A1 ASN 75 HA 0.05 0.14 0.61 -0.75 4.76 4.80 2g34A1 ASN 75 HB2 0.13 0.01 0.06 -0.04 2.88 3.04 2g34A1 ASN 75 HB3 0.22 -0.02 0.18 -0.04 2.79 3.13 2g34A1 ASN 75 HD21 0.21 -0.01 0.01 -0.04 7.03 7.20 2g34A1 ASN 75 HD22 0.26 -0.01 0.04 -0.04 7.74 7.99 2g34A1 LEU 76 H -0.22 0.16 -0.47 -0.55 8.37 7.29 2g34A1 LEU 76 HA -0.15 0.13 0.91 -0.75 4.35 4.50 2g34A1 LEU 76 HB2 -0.38 -0.03 -0.04 -0.04 1.64 1.14 2g34A1 LEU 76 HB3 -0.27 0.43 0.20 -0.04 1.64 1.96 2g34A1 LEU 76 HG -0.13 -0.15 -0.24 -0.04 1.64 1.09 2g34A1 LEU 76 HD13 -0.12 -0.02 0.03 -0.04 0.93 0.77 2g34A1 LEU 76 HD23 -0.18 -0.01 -0.05 -0.04 0.89 0.61 2g34A1 GLU 77 H -0.08 0.18 0.02 -0.55 8.60 8.18 2g34A1 GLU 77 HA -0.05 0.19 0.90 -0.75 4.29 4.57 2g34A1 GLU 77 HB2 -0.03 -0.01 0.18 -0.04 2.09 2.18 2g34A1 GLU 77 HB3 -0.03 -0.01 0.10 -0.04 1.99 2.01 2g34A1 GLU 77 HG2 -0.03 0.04 -0.08 -0.04 2.34 2.23 2g34A1 GLU 77 HG3 -0.04 -0.00 -0.60 -0.04 2.34 1.66 2g34A1 ASP 78 H -0.06 0.21 -0.18 -0.55 8.40 7.82 2g34A1 ASP 78 HA -0.04 0.14 0.49 -0.75 4.63 4.47 2g34A1 ASP 78 HB2 -0.05 0.25 -0.08 -0.04 2.71 2.79 2g34A1 ASP 78 HB3 -0.06 -0.04 0.06 -0.04 2.70 2.62 2g34A1 PRO 79 HA -0.04 0.02 0.40 -0.51 4.44 4.31 2g34A1 PRO 79 HB2 -0.02 0.05 0.02 -0.04 2.28 2.29 2g34A1 PRO 79 HB3 -0.02 0.08 0.09 -0.04 2.02 2.14 2g34A1 PRO 79 HG2 -0.02 0.10 0.06 -0.04 2.03 2.13 2g34A1 PRO 79 HG3 -0.03 0.10 0.09 -0.04 2.03 2.14 2g34A1 PRO 79 HD2 -0.03 0.15 0.12 -0.04 3.68 3.89 2g34A1 PRO 79 HD3 -0.03 0.14 0.05 -0.04 3.65 3.77 2g34A1 ALA 80 H -0.03 0.08 -0.49 -0.55 8.40 7.41 2g34A1 ALA 80 HA -0.02 0.11 0.39 -0.75 4.34 4.07 2g34A1 ALA 80 HB3 -0.02 0.01 0.05 -0.04 1.41 1.41 2g34A1 SER 81 H -0.04 0.22 0.03 -0.55 8.46 8.13 2g34A1 SER 81 HA -0.03 0.14 0.68 -0.75 4.49 4.53 2g34A1 SER 81 HB2 -0.05 0.05 0.07 -0.04 3.95 3.98 2g34A1 SER 81 HB3 -0.05 0.01 0.06 -0.04 3.93 3.91 2g34A1 ARG 82 H -0.05 0.52 -0.03 -0.55 8.46 8.35 2g34A1 ARG 82 HA -0.08 0.09 0.42 -0.75 4.34 4.01 2g34A1 ARG 82 HB2 -0.09 -0.02 -0.13 -0.04 1.90 1.63 2g34A1 ARG 82 HB3 -0.06 -0.09 -0.07 -0.04 1.80 1.54 2g34A1 ARG 82 HG2 -0.07 -0.00 -0.31 -0.04 1.67 1.25 2g34A1 ARG 82 HG3 -0.11 -0.01 -0.22 -0.04 1.67 1.29 2g34A1 ARG 82 HD2 -0.12 0.04 -0.14 -0.04 3.22 2.96 2g34A1 ARG 82 HD3 -0.11 -0.01 -0.10 -0.04 3.22 2.95 2g34A1 ASP 83 H -0.03 0.44 -0.09 -0.55 8.40 8.17 2g34A1 ASP 83 HA -0.02 0.08 0.51 -0.75 4.63 4.44 2g34A1 ASP 83 HB2 -0.02 0.26 0.13 -0.04 2.71 3.04 2g34A1 ASP 83 HB3 -0.01 -0.02 0.13 -0.04 2.70 2.75 2g34A1 LEU 84 H -0.02 0.12 -0.90 -0.55 8.37 7.02 2g34A1 LEU 84 HA -0.00 0.13 0.70 -0.75 4.35 4.43 2g34A1 LEU 84 HB2 -0.01 0.20 0.14 -0.04 1.64 1.92 2g34A1 LEU 84 HB3 -0.02 0.06 0.18 -0.04 1.64 1.82 2g34A1 LEU 84 HG -0.00 -0.05 -0.22 -0.04 1.64 1.33 2g34A1 LEU 84 HD13 0.00 -0.01 0.07 -0.04 0.93 0.95 2g34A1 LEU 84 HD23 -0.02 -0.00 0.01 -0.04 0.89 0.83 2g34A1 VAL 85 H -0.02 0.47 0.03 -0.55 8.24 8.16 2g34A1 VAL 85 HA 0.02 0.00 0.38 -0.75 4.13 3.78 2g34A1 VAL 85 HB -0.01 -0.04 0.02 -0.04 2.12 2.06 2g34A1 VAL 85 HG13 -0.04 0.10 0.12 -0.04 0.97 1.10 2g34A1 VAL 85 HG23 -0.04 0.09 0.12 -0.04 0.95 1.07 2g34A1 VAL 86 H -0.01 0.30 -0.28 -0.55 8.24 7.70 2g34A1 VAL 86 HA -0.01 -0.01 0.29 -0.75 4.13 3.64 2g34A1 VAL 86 HB -0.00 0.11 -0.07 -0.04 2.12 2.11 2g34A1 VAL 86 HG13 0.00 -0.01 -0.05 -0.04 0.97 0.87 2g34A1 VAL 86 HG23 -0.02 0.05 0.04 -0.04 0.95 0.98 2g34A1 SER 87 H 0.02 0.36 -0.63 -0.55 8.46 7.67 2g34A1 SER 87 HA 0.03 0.02 0.32 -0.75 4.49 4.10 2g34A1 SER 87 HB2 0.03 0.05 0.14 -0.04 3.95 4.13 2g34A1 SER 87 HB3 0.06 0.07 0.24 -0.04 3.93 4.26 2g34A1 TYR 88 H 0.15 0.24 0.07 -0.55 8.29 8.21 2g34A1 TYR 88 HA 0.00 -0.07 0.37 -0.75 4.56 4.11 2g34A1 TYR 88 HB2 -0.01 -0.00 0.14 -0.04 3.06 3.15 2g34A1 TYR 88 HB3 -0.02 0.10 0.09 -0.04 2.98 3.12 2g34A1 TYR 88 HD2 -0.01 0.00 -0.04 -0.04 7.15 7.06 2g34A1 TYR 88 HE2 -0.00 0.01 -0.01 -0.04 6.85 6.80 2g34A1 VAL 89 H 0.05 0.43 -0.66 -0.55 8.24 7.51 2g34A1 VAL 89 HA -0.15 0.02 0.40 -0.75 4.13 3.65 2g34A1 VAL 89 HB -0.03 0.07 0.21 -0.04 2.12 2.33 2g34A1 VAL 89 HG13 -0.13 -0.01 -0.09 -0.04 0.97 0.69 2g34A1 VAL 89 HG23 0.01 0.10 -0.09 -0.04 0.95 0.93 2g34A1 ASN 90 H -0.01 0.46 0.20 -0.55 8.53 8.64 2g34A1 ASN 90 HA 0.10 -0.06 0.37 -0.75 4.76 4.41 2g34A1 ASN 90 HB2 0.03 0.19 0.16 -0.04 2.88 3.21 2g34A1 ASN 90 HB3 0.06 -0.04 0.17 -0.04 2.79 2.93 2g34A1 ASN 90 HD21 0.13 -0.02 0.05 -0.04 7.03 7.15 2g34A1 ASN 90 HD22 0.10 -0.02 0.08 -0.04 7.74 7.86 2g34A1 THR 91 H -0.06 0.22 -1.28 -0.55 8.28 6.62 2g34A1 THR 91 HA -0.00 0.18 1.02 -0.75 4.39 4.83 2g34A1 THR 91 HB -0.03 -0.01 0.05 -0.04 4.32 4.28 2g34A1 THR 91 HG23 -0.00 -0.00 -0.09 -0.04 1.22 1.08 2g34A1 ASN 92 H -0.16 0.20 0.17 -0.55 8.53 8.19 2g34A1 ASN 92 HA -0.10 -0.02 0.42 -0.75 4.76 4.30 2g34A1 ASN 92 HB2 -0.50 0.04 0.29 -0.04 2.88 2.67 2g34A1 ASN 92 HB3 -0.76 -0.00 0.13 -0.04 2.79 2.11 2g34A1 ASN 92 HD21 0.11 -0.00 0.05 -0.04 7.03 7.14 2g34A1 ASN 92 HD22 0.13 -0.01 0.08 -0.04 7.74 7.90 2g34A1 VAL 93 H -0.19 0.27 -0.64 -0.55 8.24 7.14 2g34A1 VAL 93 HA -0.15 0.12 0.88 -0.75 4.13 4.23 2g34A1 VAL 93 HB -0.11 0.28 0.16 -0.04 2.12 2.40 2g34A1 VAL 93 HG13 -0.30 -0.03 -0.17 -0.04 0.97 0.43 2g34A1 VAL 93 HG23 -0.30 0.04 -0.01 -0.04 0.95 0.64 2g34A1 GLY 94 H 0.02 0.29 -0.00 -0.55 8.43 8.19 2g34A1 GLY 94 HA2 0.12 -0.01 0.30 -0.51 4.01 3.90 2g34A1 GLY 94 HA3 0.07 0.09 0.29 -0.51 4.01 3.95 2g34A1 LEU 95 H 0.01 0.35 -0.61 -0.55 8.37 7.57 2g34A1 LEU 95 HA 0.01 0.03 0.30 -0.75 4.35 3.94 2g34A1 LEU 95 HB2 0.01 0.06 0.04 -0.04 1.64 1.71 2g34A1 LEU 95 HB3 0.02 0.14 -0.03 -0.04 1.64 1.72 2g34A1 LEU 95 HG 0.00 -0.03 -0.01 -0.04 1.64 1.56 2g34A1 LEU 95 HD13 0.00 -0.01 -0.01 -0.04 0.93 0.87 2g34A1 LEU 95 HD23 0.01 0.02 0.06 -0.04 0.89 0.95 2g34A1 LYS 96 H 0.09 0.23 0.05 -0.55 8.42 8.24 2g34A1 LYS 96 HA -0.00 -0.03 0.33 -0.75 4.32 3.87 2g34A1 LYS 96 HB2 0.36 0.10 0.07 -0.04 1.87 2.37 2g34A1 LYS 96 HB3 0.04 -0.03 0.06 -0.04 1.79 1.81 2g34A1 LYS 96 HG2 0.04 -0.05 0.09 -0.04 1.46 1.50 2g34A1 LYS 96 HG3 0.08 0.04 0.14 -0.04 1.46 1.68 2g34A1 LYS 96 HD2 0.17 0.05 0.06 -0.04 1.69 1.92 2g34A1 LYS 96 HD3 0.09 -0.03 0.04 -0.04 1.68 1.74 2g34A1 LYS 96 HE2 0.05 -0.05 0.04 -0.04 2.99 2.99 2g34A1 LYS 96 HE3 0.07 0.03 0.06 -0.04 2.99 3.12 2g34A1 PHE 97 H 0.40 0.32 -0.80 -0.55 8.34 7.71 2g34A1 PHE 97 HA -0.04 0.06 0.75 -0.75 4.62 4.63 2g34A1 PHE 97 HB2 0.06 0.07 -0.03 -0.04 3.15 3.20 2g34A1 PHE 97 HB3 -0.02 -0.06 0.05 -0.04 3.06 3.00 2g34A1 PHE 97 HD2 0.09 0.00 -0.07 -0.04 7.28 7.26 2g34A1 PHE 97 HE2 0.07 -0.00 -0.05 -0.04 7.38 7.35 2g34A1 PHE 97 HZ 0.05 -0.01 -0.07 -0.04 7.32 7.26 2g34A1 ARG 98 H 0.03 0.95 0.29 -0.55 8.46 9.17 2g34A1 ARG 98 HA -0.01 0.02 0.71 -0.75 4.34 4.31 2g34A1 ARG 98 HB2 0.02 0.09 -0.01 -0.04 1.90 1.96 2g34A1 ARG 98 HB3 0.00 -0.11 0.07 -0.04 1.80 1.72 2g34A1 ARG 98 HG2 -0.04 0.36 0.24 -0.04 1.67 2.19 2g34A1 ARG 98 HG3 -0.22 -0.52 0.24 -0.04 1.67 1.13 2g34A1 ARG 98 HD2 0.14 -0.10 -0.01 -0.04 3.22 3.21 2g34A1 ARG 98 HD3 0.14 0.36 -0.00 -0.04 3.22 3.68 2g34A1 GLN 99 H -0.41 0.30 0.12 -0.55 8.47 7.94 2g34A1 GLN 99 HA -0.15 0.04 0.33 -0.75 4.36 3.82 2g34A1 GLN 99 HB2 -1.28 0.05 0.03 -0.04 2.15 0.90 2g34A1 GLN 99 HB3 -2.60 0.06 0.12 -0.04 2.02 -0.44 2g34A1 GLN 99 HG2 -0.18 0.03 -0.20 -0.04 2.40 2.00 2g34A1 GLN 99 HG3 -0.47 0.03 -0.08 -0.04 2.39 1.82 2g34A1 GLN 99 HE21 -0.10 -0.15 -0.74 -0.04 6.97 5.94 2g34A1 GLN 99 HE22 -0.24 0.00 -0.15 -0.04 7.69 7.27 2g34A1 LEU 100 H -0.11 0.20 -0.45 -0.55 8.37 7.48 2g34A1 LEU 100 HA 0.06 -0.04 0.26 -0.75 4.35 3.87 2g34A1 LEU 100 HB2 -0.04 0.09 0.11 -0.04 1.64 1.76 2g34A1 LEU 100 HB3 -0.17 0.02 0.04 -0.04 1.64 1.48 2g34A1 LEU 100 HG -0.61 -0.09 -0.06 -0.04 1.64 0.84 2g34A1 LEU 100 HD13 -0.46 -0.02 -0.02 -0.04 0.93 0.40 2g34A1 LEU 100 HD23 -0.42 0.00 -0.23 -0.04 0.89 0.20 2g34A1 LEU 101 H -0.04 0.24 -0.50 -0.55 8.37 7.53 2g34A1 LEU 101 HA -0.06 -0.09 0.32 -0.75 4.35 3.77 2g34A1 LEU 101 HB2 -0.03 0.34 0.33 -0.04 1.64 2.23 2g34A1 LEU 101 HB3 0.04 0.13 0.35 -0.04 1.64 2.12 2g34A1 LEU 101 HG 0.04 -0.02 -0.22 -0.04 1.64 1.40 2g34A1 LEU 101 HD13 -0.04 -0.03 -0.03 -0.04 0.93 0.80 2g34A1 LEU 101 HD23 -0.08 -0.02 -0.01 -0.04 0.89 0.74 2g34A1 TRP 102 H 0.25 0.50 -0.06 -0.55 7.97 8.11 2g34A1 TRP 102 HA 0.01 -0.07 0.31 -0.75 4.62 4.12 2g34A1 TRP 102 HB2 0.01 -0.04 0.03 -0.04 3.23 3.19 2g34A1 TRP 102 HB3 0.02 0.09 0.10 -0.04 3.23 3.40 2g34A1 TRP 102 HD1 0.03 -0.03 -0.05 -0.04 7.22 7.13 2g34A1 TRP 102 HE1 0.05 -0.01 -0.05 -0.04 10.20 10.15 2g34A1 TRP 102 HE3 0.11 0.12 0.14 -0.04 7.59 7.91 2g34A1 TRP 102 HZ2 0.24 -0.01 -0.06 -0.04 7.44 7.56 2g34A1 TRP 102 HZ3 0.31 -0.02 -0.04 -0.04 7.13 7.34 2g34A1 TRP 102 HH2 0.33 0.03 -0.08 -0.04 7.19 7.43 2g34A1 PHE 103 H 0.32 1.01 0.02 -0.55 8.34 9.14 2g34A1 PHE 103 HA -1.46 -0.08 0.29 -0.75 4.62 2.61 2g34A1 PHE 103 HB2 -0.05 0.02 -0.03 -0.04 3.15 3.05 2g34A1 PHE 103 HB3 -0.12 0.20 0.22 -0.04 3.06 3.32 2g34A1 PHE 103 HD2 -0.14 0.02 -0.09 -0.04 7.28 7.03 2g34A1 PHE 103 HE2 -0.02 -0.02 -0.09 -0.04 7.38 7.21 2g34A1 PHE 103 HZ 0.11 0.05 -0.10 -0.04 7.32 7.34 2g34A1 HIS 104 H 0.09 0.75 -0.09 -0.55 8.41 8.62 2g34A1 HIS 104 HA -0.44 -0.11 0.40 -0.75 4.63 3.72 2g34A1 HIS 104 HB2 -0.12 0.29 0.20 -0.04 3.26 3.60 2g34A1 HIS 104 HB3 -0.14 -0.06 0.01 -0.04 3.20 2.97 2g34A1 HIS 104 HD2 0.00 0.22 0.13 -0.04 6.97 7.28 2g34A1 HIS 104 HE1 -1.90 0.02 -0.03 -0.04 7.75 5.80 2g34A1 ILE 105 H -0.09 0.50 0.08 -0.55 8.25 8.19 2g34A1 ILE 105 HA -0.16 -0.09 0.34 -0.75 4.18 3.51 2g34A1 ILE 105 HB -0.06 0.02 0.15 -0.04 1.89 1.96 2g34A1 ILE 105 HG12 0.01 -0.10 0.01 -0.04 1.49 1.38 2g34A1 ILE 105 HG13 -0.01 0.40 0.07 -0.04 1.21 1.63 2g34A1 ILE 105 HG23 0.05 -0.03 -0.07 -0.04 0.93 0.84 2g34A1 ILE 105 HD13 0.10 -0.05 -0.10 -0.04 0.88 0.80 2g34A1 SER 106 H -0.49 0.62 -0.19 -0.55 8.46 7.85 2g34A1 SER 106 HA -0.06 -0.06 0.26 -0.75 4.49 3.88 2g34A1 SER 106 HB2 -0.81 0.35 0.07 -0.04 3.95 3.52 2g34A1 SER 106 HB3 -0.35 -0.11 -0.00 -0.04 3.93 3.44 2g34A1 ALA 107 H -0.55 0.61 -0.45 -0.55 8.40 7.47 2g34A1 ALA 107 HA -0.28 -0.09 0.24 -0.75 4.34 3.45 2g34A1 ALA 107 HB3 -0.77 -0.04 0.11 -0.04 1.41 0.67 2g34A1 LEU 108 H -0.41 0.17 0.08 -0.55 8.37 7.66 2g34A1 LEU 108 HA -0.20 -0.05 0.25 -0.75 4.35 3.60 2g34A1 LEU 108 HB2 -0.52 -0.00 -0.01 -0.04 1.64 1.06 2g34A1 LEU 108 HB3 -0.32 -0.13 0.08 -0.04 1.64 1.24 2g34A1 LEU 108 HG -0.31 0.39 0.23 -0.04 1.64 1.90 2g34A1 LEU 108 HD13 -0.30 0.04 -0.20 -0.04 0.93 0.42 2g34A1 LEU 108 HD23 -0.53 -0.05 -0.04 -0.04 0.89 0.23 2g34A1 THR 109 H -0.20 0.45 -0.58 -0.55 8.28 7.41 2g34A1 THR 109 HA -0.17 -0.04 0.32 -0.75 4.39 3.75 2g34A1 THR 109 HB -0.33 -0.05 -0.04 -0.04 4.32 3.86 2g34A1 THR 109 HG23 -0.03 0.07 -0.31 -0.04 1.22 0.92 2g34A1 PHE 110 H -0.04 0.74 0.05 -0.55 8.34 8.53 2g34A1 PHE 110 HA -0.05 0.13 0.94 -0.75 4.62 4.88 2g34A1 PHE 110 HB2 -0.11 0.02 0.24 -0.04 3.15 3.25 2g34A1 PHE 110 HB3 -0.06 -0.11 0.04 -0.04 3.06 2.89 2g34A1 PHE 110 HD2 -0.06 0.06 -0.01 -0.04 7.28 7.23 2g34A1 PHE 110 HE2 -0.02 0.25 -0.08 -0.04 7.38 7.49 2g34A1 PHE 110 HZ -0.03 0.11 -0.18 -0.04 7.32 7.18 2g34A1 GLY 111 H 0.05 0.18 0.26 -0.55 8.43 8.37 2g34A1 GLY 111 HA2 -0.06 0.05 0.34 -0.51 4.01 3.83 2g34A1 GLY 111 HA3 0.00 0.01 0.41 -0.51 4.01 3.92 2g34A1 ARG 112 H -0.03 0.15 0.10 -0.55 8.46 8.13 2g34A1 ARG 112 HA -0.07 0.11 0.39 -0.75 4.34 4.02 2g34A1 ARG 112 HB2 0.08 0.02 0.18 -0.04 1.90 2.14 2g34A1 ARG 112 HB3 0.03 -0.12 0.25 -0.04 1.80 1.92 2g34A1 ARG 112 HG2 0.07 0.04 -0.08 -0.04 1.67 1.66 2g34A1 ARG 112 HG3 0.13 0.07 0.04 -0.04 1.67 1.87 2g34A1 ARG 112 HD2 0.05 -0.05 0.07 -0.04 3.22 3.25 2g34A1 ARG 112 HD3 0.07 0.06 0.01 -0.04 3.22 3.31 2g34A1 GLU 113 H 0.03 0.11 0.07 -0.55 8.60 8.26 2g34A1 GLU 113 HA 0.05 0.07 0.36 -0.75 4.29 4.01 2g34A1 GLU 113 HB2 0.02 -0.07 0.12 -0.04 2.09 2.12 2g34A1 GLU 113 HB3 0.03 0.06 -0.01 -0.04 1.99 2.03 2g34A1 GLU 113 HG2 0.03 -0.03 0.11 -0.04 2.34 2.42 2g34A1 GLU 113 HG3 0.02 0.03 0.06 -0.04 2.34 2.41 2g34A1 THR 114 H 0.02 0.05 -0.25 -0.55 8.28 7.55 2g34A1 THR 114 HA 0.03 -0.02 0.26 -0.75 4.39 3.90 2g34A1 THR 114 HB 0.02 0.02 -0.05 -0.04 4.32 4.27 2g34A1 THR 114 HG23 0.04 -0.00 -0.04 -0.04 1.22 1.17 2g34A1 VAL 115 H -0.02 0.58 -0.33 -0.55 8.24 7.93 2g34A1 VAL 115 HA -0.01 -0.09 0.34 -0.75 4.13 3.62 2g34A1 VAL 115 HB -0.07 0.27 0.26 -0.04 2.12 2.55 2g34A1 VAL 115 HG13 -0.08 -0.04 -0.21 -0.04 0.97 0.60 2g34A1 VAL 115 HG23 -0.23 0.13 0.04 -0.04 0.95 0.84 2g34A1 LEU 116 H 0.06 0.37 0.06 -0.55 8.37 8.32 2g34A1 LEU 116 HA 0.14 -0.05 0.38 -0.75 4.35 4.06 2g34A1 LEU 116 HB2 0.07 -0.04 0.09 -0.04 1.64 1.73 2g34A1 LEU 116 HB3 0.09 -0.09 0.04 -0.04 1.64 1.64 2g34A1 LEU 116 HG 0.07 0.17 0.20 -0.04 1.64 2.04 2g34A1 LEU 116 HD13 0.06 -0.03 0.03 -0.04 0.93 0.96 2g34A1 LEU 116 HD23 0.12 -0.01 0.10 -0.04 0.89 1.07 2g34A1 GLU 117 H 0.08 0.26 -0.23 -0.55 8.60 8.17 2g34A1 GLU 117 HA 0.09 -0.10 0.38 -0.75 4.29 3.91 2g34A1 GLU 117 HB2 0.07 -0.05 0.12 -0.04 2.09 2.19 2g34A1 GLU 117 HB3 0.08 0.29 0.21 -0.04 1.99 2.54 2g34A1 GLU 117 HG2 0.13 0.03 -0.17 -0.04 2.34 2.29 2g34A1 GLU 117 HG3 0.09 -0.09 -0.07 -0.04 2.34 2.23 2g34A1 TYR 118 H 0.21 0.30 0.08 -0.55 8.29 8.32 2g34A1 TYR 118 HA 0.10 -0.08 0.28 -0.75 4.56 4.11 2g34A1 TYR 118 HB2 0.00 -0.03 0.10 -0.04 3.06 3.09 2g34A1 TYR 118 HB3 0.13 0.07 -0.01 -0.04 2.98 3.13 2g34A1 TYR 118 HD2 0.24 -0.01 -0.13 -0.04 7.15 7.21 2g34A1 TYR 118 HE2 0.16 -0.06 -0.75 -0.04 6.85 6.16 2g34A1 LEU 119 H 0.21 0.47 -0.79 -0.55 8.37 7.72 2g34A1 LEU 119 HA 0.21 0.04 0.52 -0.75 4.35 4.37 2g34A1 LEU 119 HB2 0.18 0.19 0.32 -0.04 1.64 2.29 2g34A1 LEU 119 HB3 0.20 -0.09 0.05 -0.04 1.64 1.76 2g34A1 LEU 119 HG 0.28 0.07 -0.21 -0.04 1.64 1.74 2g34A1 LEU 119 HD13 0.30 -0.05 -0.04 -0.04 0.93 1.10 2g34A1 LEU 119 HD23 0.41 -0.01 -0.12 -0.04 0.89 1.14 2g34A1 VAL 120 H 0.13 0.25 0.18 -0.55 8.24 8.26 2g34A1 VAL 120 HA 0.10 -0.01 0.35 -0.75 4.13 3.82 2g34A1 VAL 120 HB 0.08 -0.02 0.14 -0.04 2.12 2.28 2g34A1 VAL 120 HG13 0.05 -0.01 -0.14 -0.04 0.97 0.84 2g34A1 VAL 120 HG23 0.08 -0.00 0.06 -0.04 0.95 1.05 2g34A1 SER 121 H 0.10 0.48 -0.06 -0.55 8.46 8.43 2g34A1 SER 121 HA 0.07 -0.05 0.31 -0.75 4.49 4.06 2g34A1 SER 121 HB2 0.10 -0.02 -0.05 -0.04 3.95 3.93 2g34A1 SER 121 HB3 0.09 -0.08 -0.05 -0.04 3.93 3.85 2g34A1 PHE 122 H 0.09 0.38 -0.17 -0.55 8.34 8.09 2g34A1 PHE 122 HA 0.01 -0.07 0.43 -0.75 4.62 4.24 2g34A1 PHE 122 HB2 -0.42 -0.03 0.21 -0.04 3.15 2.87 2g34A1 PHE 122 HB3 -0.16 0.29 0.28 -0.04 3.06 3.42 2g34A1 PHE 122 HD2 -0.26 0.05 0.03 -0.04 7.28 7.06 2g34A1 PHE 122 HE2 -0.42 0.05 0.05 -0.04 7.38 7.03 2g34A1 PHE 122 HZ -0.14 -0.03 0.00 -0.04 7.32 7.11 2g34A1 GLY 123 H 0.14 0.58 -0.17 -0.55 8.43 8.43 2g34A1 GLY 123 HA2 -0.05 -0.03 0.39 -0.51 4.01 3.81 2g34A1 GLY 123 HA3 0.05 -0.04 0.35 -0.51 4.01 3.86 2g34A1 VAL 124 H -0.01 0.60 -0.25 -0.55 8.24 8.02 2g34A1 VAL 124 HA -0.03 -0.08 0.43 -0.75 4.13 3.69 2g34A1 VAL 124 HB 0.02 0.09 0.18 -0.04 2.12 2.37 2g34A1 VAL 124 HG13 -0.02 -0.03 -0.07 -0.04 0.97 0.81 2g34A1 VAL 124 HG23 0.02 -0.00 -0.00 -0.04 0.95 0.92 2g34A1 TRP 125 H 0.06 0.26 0.09 -0.55 7.97 7.83 2g34A1 TRP 125 HA -0.12 -0.07 0.32 -0.75 4.62 3.99 2g34A1 TRP 125 HB2 -0.12 -0.11 0.15 -0.04 3.23 3.12 2g34A1 TRP 125 HB3 -0.49 -0.00 0.28 -0.04 3.23 2.98 2g34A1 TRP 125 HD1 -0.01 -0.04 -0.03 -0.04 7.22 7.11 2g34A1 TRP 125 HE1 0.00 0.24 -0.46 -0.04 10.20 9.94 2g34A1 TRP 125 HE3 -0.32 0.12 -0.44 -0.04 7.59 6.91 2g34A1 TRP 125 HZ2 -0.01 -0.05 -0.15 -0.04 7.44 7.19 2g34A1 TRP 125 HZ3 -0.03 -0.08 -0.07 -0.04 7.13 6.92 2g34A1 TRP 125 HH2 -0.01 -0.09 -0.06 -0.04 7.19 6.99 2g34A1 ILE 126 H -0.42 0.41 -0.05 -0.55 8.25 7.64 2g34A1 ILE 126 HA 0.78 -0.03 0.28 -0.75 4.18 4.46 2g34A1 ILE 126 HB -0.25 -0.07 0.07 -0.04 1.89 1.59 2g34A1 ILE 126 HG12 0.19 -0.04 -0.03 -0.04 1.49 1.56 2g34A1 ILE 126 HG13 0.08 -0.02 -0.04 -0.04 1.21 1.18 2g34A1 ILE 126 HG23 -0.45 0.11 0.05 -0.04 0.93 0.60 2g34A1 ILE 126 HD13 0.21 -0.01 -0.18 -0.04 0.88 0.87 2g34A1 ARG 127 H -0.04 0.18 0.05 -0.55 8.46 8.10 2g34A1 ARG 127 HA -0.00 -0.14 0.33 -0.75 4.34 3.77 2g34A1 ARG 127 HB2 -0.05 0.11 0.13 -0.04 1.90 2.05 2g34A1 ARG 127 HB3 -0.03 -0.16 0.08 -0.04 1.80 1.65 2g34A1 ARG 127 HG2 0.04 -0.13 0.13 -0.04 1.67 1.67 2g34A1 ARG 127 HG3 -0.02 0.49 0.27 -0.04 1.67 2.37 2g34A1 ARG 127 HD2 -0.01 -0.01 -0.00 -0.04 3.22 3.16 2g34A1 ARG 127 HD3 -0.03 -0.11 0.03 -0.04 3.22 3.07 2g34A1 THR 128 H -0.12 0.64 -0.49 -0.55 8.28 7.76 2g34A1 THR 128 HA -0.11 -0.17 0.47 -0.75 4.39 3.82 2g34A1 THR 128 HB -0.31 0.29 0.24 -0.04 4.32 4.49 2g34A1 THR 128 HG23 -0.13 -0.08 -0.02 -0.04 1.22 0.95 2g34A1 PRO 129 HA -0.15 0.12 0.44 -0.51 4.44 4.33 2g34A1 PRO 129 HB2 -0.29 -0.12 0.09 -0.04 2.28 1.92 2g34A1 PRO 129 HB3 -0.21 -0.04 0.14 -0.04 2.02 1.87 2g34A1 PRO 129 HG2 -0.13 -0.06 0.13 -0.04 2.03 1.93 2g34A1 PRO 129 HG3 -0.11 0.08 0.19 -0.04 2.03 2.14 2g34A1 PRO 129 HD2 -0.11 -0.01 0.24 -0.04 3.68 3.76 2g34A1 PRO 129 HD3 -0.10 0.23 0.36 -0.04 3.65 4.10 2g34A1 PRO 130 HA -0.16 0.21 0.41 -0.51 4.44 4.39 2g34A1 PRO 130 HB2 -0.09 -0.10 0.12 -0.04 2.28 2.16 2g34A1 PRO 130 HB3 -0.05 0.03 0.05 -0.04 2.02 2.01 2g34A1 PRO 130 HG2 -0.05 -0.02 0.09 -0.04 2.03 2.00 2g34A1 PRO 130 HG3 -0.05 0.11 0.09 -0.04 2.03 2.14 2g34A1 PRO 130 HD2 -0.13 0.01 0.22 -0.04 3.68 3.74 2g34A1 PRO 130 HD3 -0.11 0.23 0.21 -0.04 3.65 3.94 2g34A1 ALA 131 H -0.19 0.04 -0.07 -0.55 8.40 7.63 2g34A1 ALA 131 HA -0.05 0.08 0.36 -0.75 4.34 3.98 2g34A1 ALA 131 HB3 -0.18 -0.02 0.04 -0.04 1.41 1.21 2g34A1 TYR 132 H -0.17 0.11 -0.39 -0.55 8.29 7.29 2g34A1 TYR 132 HA -0.09 0.13 0.81 -0.75 4.56 4.65 2g34A1 TYR 132 HB2 -0.14 0.04 0.08 -0.04 3.06 3.00 2g34A1 TYR 132 HB3 -0.11 -0.01 -0.05 -0.04 2.98 2.77 2g34A1 TYR 132 HD2 -0.07 0.10 -0.27 -0.04 7.15 6.87 2g34A1 TYR 132 HE2 -0.04 -0.01 -0.05 -0.04 6.85 6.70 2g34A1 ARG 133 H -0.16 0.27 0.00 -0.55 8.46 8.02 2g34A1 ARG 133 HA -0.28 -0.06 0.31 -0.75 4.34 3.57 2g34A1 ARG 133 HB2 -1.33 -0.05 -0.03 -0.04 1.90 0.45 2g34A1 ARG 133 HB3 -0.58 0.01 0.07 -0.04 1.80 1.26 2g34A1 ARG 133 HG2 -0.49 0.29 -0.06 -0.04 1.67 1.37 2g34A1 ARG 133 HG3 -0.71 -0.15 -0.00 -0.04 1.67 0.77 2g34A1 ARG 133 HD2 -3.36 -0.20 -0.14 -0.04 3.22 -0.52 2g34A1 ARG 133 HD3 -0.89 1.02 0.20 -0.04 3.22 3.51 2g34A1 PRO 134 HA 0.01 0.10 0.47 -0.51 4.44 4.52 2g34A1 PRO 134 HB2 0.08 0.01 0.12 -0.04 2.28 2.45 2g34A1 PRO 134 HB3 0.04 -0.05 0.12 -0.04 2.02 2.08 2g34A1 PRO 134 HG2 -0.00 -0.07 0.09 -0.04 2.03 2.01 2g34A1 PRO 134 HG3 -0.02 0.10 0.13 -0.04 2.03 2.21 2g34A1 PRO 134 HD2 -0.08 0.03 0.16 -0.04 3.68 3.74 2g34A1 PRO 134 HD3 -0.09 0.11 0.06 -0.04 3.65 3.69 2g34A1 PRO 135 HA 0.47 0.10 0.31 -0.51 4.44 4.81 2g34A1 PRO 135 HB2 0.10 -0.05 0.01 -0.04 2.28 2.30 2g34A1 PRO 135 HB3 0.14 -0.02 0.10 -0.04 2.02 2.20 2g34A1 PRO 135 HG2 0.07 -0.04 0.08 -0.04 2.03 2.09 2g34A1 PRO 135 HG3 0.11 0.11 0.10 -0.04 2.03 2.30 2g34A1 PRO 135 HD2 0.06 -0.01 0.19 -0.04 3.68 3.88 2g34A1 PRO 135 HD3 0.04 0.31 0.21 -0.04 3.65 4.17 2g34A1 ASN 136 H 0.17 -0.03 -0.89 -0.55 8.53 7.22 2g34A1 ASN 136 HA 0.09 -0.00 0.45 -0.75 4.76 4.55 2g34A1 ASN 136 HB2 0.09 -0.09 0.04 -0.04 2.88 2.89 2g34A1 ASN 136 HB3 0.12 0.02 0.16 -0.04 2.79 3.04 2g34A1 ASN 136 HD21 0.05 -0.05 -0.03 -0.04 7.03 6.95 2g34A1 ASN 136 HD22 0.07 0.00 -0.02 -0.04 7.74 7.75 2g34A1 ALA 137 H 0.03 0.28 0.26 -0.55 8.40 8.42 2g34A1 ALA 137 HA 0.08 0.11 0.41 -0.75 4.34 4.19 2g34A1 ALA 137 HB3 -0.72 -0.01 0.09 -0.04 1.41 0.74 2g34A1 PRO 138 HA 0.14 0.03 0.48 -0.51 4.44 4.58 2g34A1 PRO 138 HB2 -0.04 0.03 0.05 -0.04 2.28 2.28 2g34A1 PRO 138 HB3 0.18 -0.03 0.06 -0.04 2.02 2.19 2g34A1 PRO 138 HG2 0.13 -0.02 0.01 -0.04 2.03 2.12 2g34A1 PRO 138 HG3 0.18 0.06 0.02 -0.04 2.03 2.24 2g34A1 PRO 138 HD2 -0.17 0.09 0.22 -0.04 3.68 3.78 2g34A1 PRO 138 HD3 0.00 0.18 0.20 -0.04 3.65 3.99 2g34A1 ILE 139 H 0.16 0.19 0.17 -0.55 8.25 8.22 2g34A1 ILE 139 HA 0.12 0.15 0.80 -0.75 4.18 4.50 2g34A1 ILE 139 HB 0.02 -0.03 -0.05 -0.04 1.89 1.79 2g34A1 ILE 139 HG12 -0.00 0.05 -0.14 -0.04 1.49 1.35 2g34A1 ILE 139 HG13 0.03 0.14 -0.70 -0.04 1.21 0.64 2g34A1 ILE 139 HG23 -0.02 0.04 -0.07 -0.04 0.93 0.84 2g34A1 ILE 139 HD13 -0.00 -0.03 -0.08 -0.04 0.88 0.73 2g34A1 LEU 140 H -0.40 0.13 0.10 -0.55 8.37 7.65 2g34A1 LEU 140 HA -0.81 -0.05 0.42 -0.75 4.35 3.14 2g34A1 LEU 140 HB2 -0.03 -0.01 0.16 -0.04 1.64 1.73 2g34A1 LEU 140 HB3 -0.80 0.08 0.03 -0.04 1.64 0.91 2g34A1 LEU 140 HG -0.49 -0.02 0.08 -0.04 1.64 1.17 2g34A1 LEU 140 HD13 0.48 0.00 0.00 -0.04 0.93 1.37 2g34A1 LEU 140 HD23 -0.69 0.00 0.00 -0.04 0.89 0.16 2g34A1 SER 141 H -0.45 -0.00 0.21 -0.55 8.46 7.67 2g34A1 SER 141 HA 0.01 0.20 0.66 -0.75 4.49 4.61 2g34A1 SER 141 HB2 0.02 -0.33 0.24 -0.04 3.95 3.84 2g34A1 SER 141 HB3 -0.03 0.11 0.16 -0.04 3.93 4.13 2g34A1 THR 142 H 0.06 0.02 0.09 -0.55 8.28 7.90 2g34A1 THR 142 HA 0.12 0.22 0.67 -0.75 4.39 4.65 2g34A1 THR 142 HB 0.05 -0.00 0.10 -0.04 4.32 4.42 2g34A1 THR 142 HG23 0.04 -0.20 0.15 -0.04 1.22 1.18 2g34A1 LEU 143 H 0.05 0.06 0.13 -0.55 8.37 8.07 2g34A1 LEU 143 HA 0.07 0.31 1.01 -0.75 4.35 4.99 2g34A1 LEU 143 HB2 0.03 -0.04 0.16 -0.04 1.64 1.75 2g34A1 LEU 143 HB3 0.03 -0.00 -0.04 -0.04 1.64 1.58 2g34A1 LEU 143 HG 0.03 0.03 -0.10 -0.04 1.64 1.55 2g34A1 LEU 143 HD13 0.01 -0.01 0.01 -0.04 0.93 0.90 2g34A1 LEU 143 HD23 0.01 0.02 0.02 -0.04 0.89 0.91 2g34A1 PRO 144 HA 0.02 0.12 0.25 -0.51 4.44 4.33 2g34A1 PRO 144 HB2 0.02 0.02 0.06 -0.04 2.28 2.35 2g34A1 PRO 144 HB3 0.02 0.04 0.08 -0.04 2.02 2.11 2g34A1 PRO 144 HG2 0.02 0.04 0.07 -0.04 2.03 2.12 2g34A1 PRO 144 HG3 0.02 0.05 0.05 -0.04 2.03 2.11 2g34A1 PRO 144 HD2 0.03 0.07 0.14 -0.04 3.68 3.88 2g34A1 PRO 144 HD3 0.03 0.08 0.19 -0.04 3.65 3.90