============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TRP 8 1.040 -11.503 6.256 0.743 -99.200 -91.000 TRP6 8 1.020 -13.773 5.681 0.435 -99.200 -91.000 TYR 23 0.840 -12.704 12.164 -9.864 -99.200 -91.000 TYR 24 0.840 -10.338 5.984 -14.474 -99.200 -91.000 TYR 25 0.840 -11.275 14.783 -13.667 -99.200 -91.000 TYR 36 0.840 -23.532 30.309 -2.976 -99.200 -91.000 HIS 46 0.900 -4.585 24.344 0.712 -99.200 -91.000 PHE 49 1.000 -9.937 25.452 -1.455 -99.200 -91.000 TYR 59 0.840 -24.770 35.003 8.594 -99.200 -91.000 TYR 60 0.840 -20.167 32.903 13.617 -99.200 -91.000 TYR 61 0.840 -16.535 37.121 16.922 -99.200 -91.000 HIS 69 0.900 -17.138 20.917 9.073 -99.200 -91.000 HIS 72 0.900 -11.415 17.101 5.013 -99.200 -91.000 TYR 82 0.840 -5.780 16.743 -1.494 -99.200 -91.000 PHE 91 1.000 -19.497 31.780 -5.581 -99.200 -91.000 TYR 104 0.840 -30.969 24.036 14.474 -99.200 -91.000 PHE 113 1.000 -25.012 35.628 1.430 -99.200 -91.000 TYR 137 0.840 -38.608 18.139 12.682 -99.200 -91.000 TYR 169 0.840 -30.228 13.336 14.714 -99.200 -91.000 TYR 186 0.840 -11.499 -2.003 3.177 -99.200 -91.000 PHE 192 1.000 -18.865 8.382 10.352 -99.200 -91.000 TYR 195 0.840 -29.970 3.901 11.139 -99.200 -91.000 PHE 202 1.000 -25.892 5.361 2.851 -99.200 -91.000 TRP 212 1.040 -7.101 21.259 9.216 -99.200 -91.000 TRP6 212 1.020 -9.229 20.294 9.494 -99.200 -91.000 HIS 229 0.900 -16.330 12.404 -1.378 -99.200 -91.000 TYR 236 0.840 -18.413 15.088 -13.868 -99.200 -91.000 TYR 251 0.840 -28.313 12.102 -14.124 -99.200 -91.000 PHE 266 1.000 -36.571 -4.681 5.066 -99.200 -91.000 TYR 274 0.840 -20.780 4.737 -11.843 -99.200 -91.000 TYR 277 0.840 -15.273 10.466 -18.041 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3i34X1 ALA 1 HA -0.15 -0.11 0.22 -0.75 4.34 3.54 3i34X1 ALA 1 HB3 -0.80 0.01 -0.01 -0.04 1.41 0.57 3i34X1 ALA 2 H -0.09 0.17 0.12 -0.55 8.40 8.05 3i34X1 ALA 2 HA -0.05 0.34 0.88 -0.75 4.34 4.76 3i34X1 ALA 2 HB3 0.15 -0.03 -0.05 -0.04 1.41 1.44 3i34X1 GLN 3 H -0.04 0.76 0.22 -0.55 8.47 8.86 3i34X1 GLN 3 HA 0.03 0.12 0.92 -0.75 4.36 4.68 3i34X1 GLN 3 HB2 0.19 0.06 0.02 -0.04 2.15 2.37 3i34X1 GLN 3 HB3 0.16 -0.07 0.21 -0.04 2.02 2.29 3i34X1 GLN 3 HG2 0.02 0.09 -0.28 -0.04 2.40 2.19 3i34X1 GLN 3 HG3 0.02 -0.02 0.03 -0.04 2.39 2.37 3i34X1 GLN 3 HE21 -0.15 0.50 0.18 -0.04 6.97 7.46 3i34X1 GLN 3 HE22 -0.09 -0.04 -0.02 -0.04 7.69 7.50 3i34X1 THR 4 H 0.01 0.15 0.06 -0.55 8.28 7.95 3i34X1 THR 4 HA -0.02 0.04 0.62 -0.75 4.39 4.28 3i34X1 THR 4 HB 0.01 -0.03 0.05 -0.04 4.32 4.31 3i34X1 THR 4 HG23 0.02 0.01 -0.04 -0.04 1.22 1.16 3i34X1 ASN 5 H 0.01 0.05 0.12 -0.55 8.53 8.17 3i34X1 ASN 5 HA 0.03 0.01 0.38 -0.75 4.76 4.42 3i34X1 ASN 5 HB2 0.01 0.10 -0.04 -0.04 2.88 2.91 3i34X1 ASN 5 HB3 0.03 -0.03 0.17 -0.04 2.79 2.91 3i34X1 ASN 5 HD21 0.02 -0.01 -0.05 -0.04 7.03 6.94 3i34X1 ASN 5 HD22 0.01 0.05 -0.19 -0.04 7.74 7.57 3i34X1 ALA 6 H 0.01 0.40 -0.03 -0.55 8.40 8.24 3i34X1 ALA 6 HA -0.02 0.15 0.52 -0.75 4.34 4.24 3i34X1 ALA 6 HB3 0.01 -0.00 -0.04 -0.04 1.41 1.35 3i34X1 PRO 7 HA 0.07 0.03 0.53 -0.51 4.44 4.57 3i34X1 PRO 7 HB2 -0.11 -0.11 0.06 -0.04 2.28 2.09 3i34X1 PRO 7 HB3 -0.00 -0.07 0.19 -0.04 2.02 2.09 3i34X1 PRO 7 HG2 0.09 0.15 0.10 -0.04 2.03 2.32 3i34X1 PRO 7 HG3 0.20 -0.01 0.06 -0.04 2.03 2.24 3i34X1 PRO 7 HD2 -0.08 0.15 0.19 -0.04 3.68 3.90 3i34X1 PRO 7 HD3 -0.04 0.23 0.19 -0.04 3.65 3.98 3i34X1 TRP 8 H 0.23 0.13 0.21 -0.55 7.97 7.99 3i34X1 TRP 8 HA -0.02 0.20 0.27 -0.75 4.62 4.31 3i34X1 TRP 8 HB2 -0.06 0.04 0.13 -0.04 3.23 3.30 3i34X1 TRP 8 HB3 -0.04 0.03 0.19 -0.04 3.23 3.36 3i34X1 TRP 8 HD1 -0.01 0.03 0.17 -0.04 7.22 7.37 3i34X1 TRP 8 HE1 0.01 0.39 0.11 -0.04 10.20 10.66 3i34X1 TRP 8 HE3 -0.07 0.05 -0.24 -0.04 7.59 7.29 3i34X1 TRP 8 HZ2 -0.01 -0.06 0.10 -0.04 7.44 7.43 3i34X1 TRP 8 HZ3 -0.08 0.10 -0.18 -0.04 7.13 6.93 3i34X1 TRP 8 HH2 -0.06 0.02 -0.37 -0.04 7.19 6.74 3i34X1 GLY 9 H -0.96 0.06 -0.27 -0.55 8.43 6.71 3i34X1 GLY 9 HA2 -1.20 0.03 0.32 -0.51 4.01 2.66 3i34X1 GLY 9 HA3 -0.93 0.06 0.22 -0.51 4.01 2.84 3i34X1 LEU 10 H -0.25 0.17 -0.26 -0.55 8.37 7.48 3i34X1 LEU 10 HA -0.44 0.09 0.44 -0.75 4.35 3.68 3i34X1 LEU 10 HB2 -0.27 0.05 -0.02 -0.04 1.64 1.36 3i34X1 LEU 10 HB3 -1.12 0.04 -0.10 -0.04 1.64 0.41 3i34X1 LEU 10 HG -0.24 -0.13 -0.05 -0.04 1.64 1.18 3i34X1 LEU 10 HD13 -0.27 0.02 -0.28 -0.04 0.93 0.36 3i34X1 LEU 10 HD23 -0.43 0.03 -0.23 -0.04 0.89 0.21 3i34X1 ALA 11 H -0.06 0.38 -0.31 -0.55 8.40 7.87 3i34X1 ALA 11 HA 0.10 0.08 0.16 -0.75 4.34 3.94 3i34X1 ALA 11 HB3 0.08 -0.02 -0.28 -0.04 1.41 1.15 3i34X1 ARG 12 H 0.03 0.41 -0.32 -0.55 8.46 8.03 3i34X1 ARG 12 HA 0.14 0.03 0.34 -0.75 4.34 4.09 3i34X1 ARG 12 HB2 0.36 -0.01 0.08 -0.04 1.90 2.29 3i34X1 ARG 12 HB3 -0.01 0.07 0.10 -0.04 1.80 1.92 3i34X1 ARG 12 HG2 0.31 -0.13 -0.09 -0.04 1.67 1.71 3i34X1 ARG 12 HG3 0.12 0.11 -0.14 -0.04 1.67 1.72 3i34X1 ARG 12 HD2 0.14 0.10 -0.03 -0.04 3.22 3.38 3i34X1 ARG 12 HD3 0.22 -0.10 -0.01 -0.04 3.22 3.28 3i34X1 ILE 13 H -0.02 0.41 -0.19 -0.55 8.25 7.90 3i34X1 ILE 13 HA 0.13 0.24 0.48 -0.75 4.18 4.28 3i34X1 ILE 13 HB -0.06 0.12 0.17 -0.04 1.89 2.08 3i34X1 ILE 13 HG12 0.03 0.15 -0.00 -0.04 1.49 1.63 3i34X1 ILE 13 HG13 -0.10 0.03 0.07 -0.04 1.21 1.16 3i34X1 ILE 13 HG23 0.08 -0.03 -0.11 -0.04 0.93 0.82 3i34X1 ILE 13 HD13 0.06 -0.05 -0.09 -0.04 0.88 0.76 3i34X1 SER 14 H 0.23 0.36 -0.42 -0.55 8.46 8.08 3i34X1 SER 14 HA 0.35 -0.01 1.05 -0.75 4.49 5.12 3i34X1 SER 14 HB2 0.40 -0.02 0.33 -0.04 3.95 4.61 3i34X1 SER 14 HB3 0.37 0.09 0.15 -0.04 3.93 4.50 3i34X1 SER 15 H 0.26 0.53 -0.16 -0.55 8.46 8.54 3i34X1 SER 15 HA 0.22 0.12 1.09 -0.75 4.49 5.17 3i34X1 SER 15 HB2 0.18 0.09 -0.03 -0.04 3.95 4.15 3i34X1 SER 15 HB3 0.11 0.08 0.12 -0.04 3.93 4.20 3i34X1 THR 16 H 0.00 0.14 0.16 -0.55 8.28 8.04 3i34X1 THR 16 HA -0.37 0.16 0.70 -0.75 4.39 4.13 3i34X1 THR 16 HB -0.09 -0.01 0.14 -0.04 4.32 4.32 3i34X1 THR 16 HG23 -0.11 0.01 0.01 -0.04 1.22 1.09 3i34X1 SER 17 H 0.00 0.11 -0.20 -0.55 8.46 7.83 3i34X1 SER 17 HA -0.02 0.19 0.74 -0.75 4.49 4.66 3i34X1 SER 17 HB2 0.01 0.13 0.00 -0.04 3.95 4.06 3i34X1 SER 17 HB3 -0.00 0.01 -0.10 -0.04 3.93 3.80 3i34X1 PRO 18 HA 0.04 0.08 0.59 -0.51 4.44 4.64 3i34X1 PRO 18 HB2 -0.06 0.08 0.07 -0.04 2.28 2.33 3i34X1 PRO 18 HB3 -0.02 -0.01 0.02 -0.04 2.02 1.97 3i34X1 PRO 18 HG2 0.00 0.01 -0.02 -0.04 2.03 1.98 3i34X1 PRO 18 HG3 -0.00 0.07 -0.03 -0.04 2.03 2.02 3i34X1 PRO 18 HD2 -0.00 0.09 0.20 -0.04 3.68 3.92 3i34X1 PRO 18 HD3 -0.01 0.17 0.09 -0.04 3.65 3.86 3i34X1 GLY 19 H -0.01 0.15 0.20 -0.55 8.43 8.21 3i34X1 GLY 19 HA2 -0.04 -0.03 0.31 -0.51 4.01 3.74 3i34X1 GLY 19 HA3 0.00 0.10 0.36 -0.51 4.01 3.97 3i34X1 THR 20 H 0.07 0.14 -0.07 -0.55 8.28 7.87 3i34X1 THR 20 HA 0.06 0.20 0.93 -0.75 4.39 4.82 3i34X1 THR 20 HB 0.10 -0.14 0.13 -0.04 4.32 4.37 3i34X1 THR 20 HG23 0.08 0.04 -0.20 -0.04 1.22 1.10 3i34X1 SER 21 H 0.06 0.08 0.15 -0.55 8.46 8.20 3i34X1 SER 21 HA 0.07 0.28 0.89 -0.75 4.49 4.97 3i34X1 SER 21 HB2 0.05 0.02 0.13 -0.04 3.95 4.11 3i34X1 SER 21 HB3 0.05 0.03 -0.19 -0.04 3.93 3.79 3i34X1 THR 22 H -0.01 0.11 0.09 -0.55 8.28 7.93 3i34X1 THR 22 HA -0.08 0.28 1.04 -0.75 4.39 4.87 3i34X1 THR 22 HB -0.29 0.01 0.05 -0.04 4.32 4.05 3i34X1 THR 22 HG23 -0.36 0.03 -0.35 -0.04 1.22 0.50 3i34X1 TYR 23 H -0.01 0.56 0.21 -0.55 8.29 8.50 3i34X1 TYR 23 HA -0.12 0.16 0.67 -0.75 4.56 4.52 3i34X1 TYR 23 HB2 -0.06 -0.11 -0.23 -0.04 3.06 2.62 3i34X1 TYR 23 HB3 -0.03 -0.00 0.10 -0.04 2.98 3.01 3i34X1 TYR 23 HD2 -0.07 -0.00 -0.08 -0.04 7.15 6.96 3i34X1 TYR 23 HE2 -0.33 0.08 -0.05 -0.04 6.85 6.52 3i34X1 TYR 24 H 0.12 0.23 0.16 -0.55 8.29 8.25 3i34X1 TYR 24 HA -0.11 0.38 1.05 -0.75 4.56 5.13 3i34X1 TYR 24 HB2 0.23 0.04 0.12 -0.04 3.06 3.41 3i34X1 TYR 24 HB3 0.27 0.01 0.01 -0.04 2.98 3.24 3i34X1 TYR 24 HD2 0.09 0.16 0.01 -0.04 7.15 7.37 3i34X1 TYR 24 HE2 0.06 -0.04 -0.05 -0.04 6.85 6.78 3i34X1 TYR 25 H -0.55 0.69 0.20 -0.55 8.29 8.08 3i34X1 TYR 25 HA -0.77 0.03 0.65 -0.75 4.56 3.72 3i34X1 TYR 25 HB2 -0.46 -0.02 0.02 -0.04 3.06 2.56 3i34X1 TYR 25 HB3 -0.98 0.07 -0.28 -0.04 2.98 1.76 3i34X1 TYR 25 HD2 -0.67 0.07 -0.45 -0.04 7.15 6.06 3i34X1 TYR 25 HE2 -0.14 -0.03 -0.19 -0.04 6.85 6.45 3i34X1 ASP 26 H -0.28 0.12 0.12 -0.55 8.40 7.81 3i34X1 ASP 26 HA -0.27 0.12 0.59 -0.75 4.63 4.32 3i34X1 ASP 26 HB2 -0.01 0.08 0.14 -0.04 2.71 2.89 3i34X1 ASP 26 HB3 -0.07 -0.04 0.13 -0.04 2.70 2.68 3i34X1 GLU 27 H -0.06 0.16 0.20 -0.55 8.60 8.35 3i34X1 GLU 27 HA -0.00 0.13 0.22 -0.75 4.29 3.88 3i34X1 GLU 27 HB2 -0.00 0.01 -0.05 -0.04 2.09 2.00 3i34X1 GLU 27 HB3 -0.03 0.02 0.11 -0.04 1.99 2.04 3i34X1 GLU 27 HG2 -0.01 -0.08 0.15 -0.04 2.34 2.36 3i34X1 GLU 27 HG3 -0.02 -0.01 0.06 -0.04 2.34 2.33 3i34X1 SER 28 H 0.00 0.01 -0.41 -0.55 8.46 7.52 3i34X1 SER 28 HA 0.01 0.08 0.40 -0.75 4.49 4.22 3i34X1 SER 28 HB2 -0.04 0.06 -0.02 -0.04 3.95 3.91 3i34X1 SER 28 HB3 -0.03 0.01 0.03 -0.04 3.93 3.90 3i34X1 ALA 29 H 0.14 0.32 -0.18 -0.55 8.40 8.13 3i34X1 ALA 29 HA 0.25 0.09 0.26 -0.75 4.34 4.20 3i34X1 ALA 29 HB3 0.11 0.01 -0.18 -0.04 1.41 1.31 3i34X1 GLY 30 H 0.01 0.10 -0.26 -0.55 8.43 7.73 3i34X1 GLY 30 HA2 -0.00 0.10 0.09 -0.51 4.01 3.69 3i34X1 GLY 30 HA3 0.03 0.01 0.30 -0.51 4.01 3.84 3i34X1 GLN 31 H -0.00 0.57 -0.29 -0.55 8.47 8.20 3i34X1 GLN 31 HA -0.02 0.24 0.36 -0.75 4.36 4.19 3i34X1 GLN 31 HB2 -0.00 0.11 0.12 -0.04 2.15 2.34 3i34X1 GLN 31 HB3 -0.01 -0.07 0.10 -0.04 2.02 1.99 3i34X1 GLN 31 HG2 -0.01 -0.04 -0.15 -0.04 2.40 2.16 3i34X1 GLN 31 HG3 -0.01 0.04 0.08 -0.04 2.39 2.46 3i34X1 GLN 31 HE21 -0.00 -0.05 -0.00 -0.04 6.97 6.88 3i34X1 GLN 31 HE22 -0.00 -0.01 -0.00 -0.04 7.69 7.63 3i34X1 GLY 32 H -0.02 0.22 0.23 -0.55 8.43 8.32 3i34X1 GLY 32 HA2 -0.01 -0.00 0.39 -0.51 4.01 3.87 3i34X1 GLY 32 HA3 -0.01 0.08 0.54 -0.51 4.01 4.11 3i34X1 SER 33 H -0.03 0.48 -0.28 -0.55 8.46 8.09 3i34X1 SER 33 HA -0.01 0.15 0.85 -0.75 4.49 4.74 3i34X1 SER 33 HB2 -0.01 -0.02 0.01 -0.04 3.95 3.89 3i34X1 SER 33 HB3 -0.02 0.01 -0.12 -0.04 3.93 3.76 3i34X1 CYS 34 H 0.00 0.53 0.38 -0.55 8.50 8.87 3i34X1 CYS 34 HA -0.23 0.24 0.95 -0.75 4.58 4.78 3i34X1 CYS 34 HB2 0.12 -0.07 0.05 -0.04 2.97 3.03 3i34X1 CYS 34 HB3 -0.14 -0.04 -0.05 -0.04 2.97 2.69 3i34X1 VAL 35 H -0.31 0.81 0.33 -0.55 8.24 8.52 3i34X1 VAL 35 HA 0.04 0.26 1.04 -0.75 4.13 4.72 3i34X1 VAL 35 HB -0.10 -0.02 -0.00 -0.04 2.12 1.95 3i34X1 VAL 35 HG13 0.01 -0.03 -0.30 -0.04 0.97 0.61 3i34X1 VAL 35 HG23 -0.03 0.01 -0.27 -0.04 0.95 0.62 3i34X1 TYR 36 H 0.32 0.73 0.37 -0.55 8.29 9.16 3i34X1 TYR 36 HA 0.11 0.23 0.94 -0.75 4.56 5.09 3i34X1 TYR 36 HB2 0.08 -0.01 0.22 -0.04 3.06 3.31 3i34X1 TYR 36 HB3 0.11 -0.07 -0.05 -0.04 2.98 2.92 3i34X1 TYR 36 HD2 0.16 0.05 -0.10 -0.04 7.15 7.22 3i34X1 TYR 36 HE2 0.07 0.02 -0.16 -0.04 6.85 6.74 3i34X1 VAL 37 H 0.09 0.66 0.30 -0.55 8.24 8.74 3i34X1 VAL 37 HA 0.04 0.20 0.94 -0.75 4.13 4.56 3i34X1 VAL 37 HB -0.05 -0.09 0.08 -0.04 2.12 2.02 3i34X1 VAL 37 HG13 -0.06 -0.02 -0.13 -0.04 0.97 0.73 3i34X1 VAL 37 HG23 -0.06 0.03 -0.20 -0.04 0.95 0.68 3i34X1 ILE 38 H 0.05 0.68 0.22 -0.55 8.25 8.65 3i34X1 ILE 38 HA 0.07 0.20 0.82 -0.75 4.18 4.52 3i34X1 ILE 38 HB 0.05 -0.00 0.15 -0.04 1.89 2.05 3i34X1 ILE 38 HG12 0.13 0.02 -0.17 -0.04 1.49 1.43 3i34X1 ILE 38 HG13 0.11 0.00 -0.24 -0.04 1.21 1.05 3i34X1 ILE 38 HG23 0.05 -0.01 -0.11 -0.04 0.93 0.82 3i34X1 ILE 38 HD13 0.03 0.01 -0.17 -0.04 0.88 0.71 3i34X1 ASP 39 H 0.01 0.59 0.38 -0.55 8.40 8.83 3i34X1 ASP 39 HA -0.05 0.15 0.63 -0.75 4.63 4.60 3i34X1 ASP 39 HB2 -0.13 0.11 -0.68 -0.04 2.71 1.98 3i34X1 ASP 39 HB3 -0.19 -0.10 0.03 -0.04 2.70 2.40 3i34X1 THR 40 H -0.21 0.09 0.14 -0.55 8.28 7.75 3i34X1 THR 40 HA -0.08 0.37 0.67 -0.75 4.39 4.59 3i34X1 THR 40 HB -0.11 0.03 0.14 -0.04 4.32 4.33 3i34X1 THR 40 HG23 -0.02 0.05 -0.00 -0.04 1.22 1.21 3i34X1 GLY 41 H -0.09 0.06 -0.45 -0.55 8.43 7.41 3i34X1 GLY 41 HA2 -0.05 0.09 0.13 -0.51 4.01 3.67 3i34X1 GLY 41 HA3 -0.07 0.29 0.70 -0.51 4.01 4.41 3i34X1 ILE 42 H -0.08 0.37 0.07 -0.55 8.25 8.07 3i34X1 ILE 42 HA -0.10 0.07 0.49 -0.75 4.18 3.89 3i34X1 ILE 42 HB -0.17 -0.01 -0.12 -0.04 1.89 1.55 3i34X1 ILE 42 HG12 -0.16 0.14 -0.27 -0.04 1.49 1.16 3i34X1 ILE 42 HG13 -0.11 -0.19 -0.56 -0.04 1.21 0.31 3i34X1 ILE 42 HG23 -0.46 0.02 -0.37 -0.04 0.93 0.08 3i34X1 ILE 42 HD13 -0.21 0.05 -0.27 -0.04 0.88 0.40 3i34X1 GLU 43 H 0.02 0.15 -0.03 -0.55 8.60 8.19 3i34X1 GLU 43 HA 0.02 0.09 0.72 -0.75 4.29 4.36 3i34X1 GLU 43 HB2 0.02 -0.01 0.12 -0.04 2.09 2.17 3i34X1 GLU 43 HB3 0.17 0.07 0.16 -0.04 1.99 2.35 3i34X1 GLU 43 HG2 0.12 -0.05 -0.06 -0.04 2.34 2.31 3i34X1 GLU 43 HG3 0.04 0.06 0.05 -0.04 2.34 2.45 3i34X1 ALA 44 H -0.00 0.33 0.06 -0.55 8.40 8.24 3i34X1 ALA 44 HA -0.06 0.07 0.10 -0.75 4.34 3.70 3i34X1 ALA 44 HB3 -0.03 0.08 -0.12 -0.04 1.41 1.29 3i34X1 SER 45 H 0.08 -0.05 -0.35 -0.55 8.46 7.59 3i34X1 SER 45 HA 0.08 0.18 0.39 -0.75 4.49 4.39 3i34X1 SER 45 HB2 0.03 0.07 0.08 -0.04 3.95 4.09 3i34X1 SER 45 HB3 0.04 -0.01 0.04 -0.04 3.93 3.95 3i34X1 HIS 46 H 0.32 0.35 -0.44 -0.55 8.41 8.09 3i34X1 HIS 46 HA 0.03 0.08 0.45 -0.75 4.63 4.44 3i34X1 HIS 46 HB2 0.10 -0.01 0.14 -0.04 3.26 3.45 3i34X1 HIS 46 HB3 -0.09 -0.02 0.07 -0.04 3.20 3.12 3i34X1 HIS 46 HD2 0.01 0.03 0.08 -0.04 6.97 7.05 3i34X1 HIS 46 HE1 -0.02 0.07 -0.07 -0.04 7.75 7.69 3i34X1 PRO 47 HA 0.06 0.10 0.47 -0.51 4.44 4.56 3i34X1 PRO 47 HB2 0.05 0.01 0.06 -0.04 2.28 2.36 3i34X1 PRO 47 HB3 0.02 0.07 0.12 -0.04 2.02 2.19 3i34X1 PRO 47 HG2 -0.07 0.07 0.13 -0.04 2.03 2.12 3i34X1 PRO 47 HG3 -0.03 0.08 0.15 -0.04 2.03 2.19 3i34X1 PRO 47 HD2 -0.46 0.06 0.26 -0.04 3.68 3.50 3i34X1 PRO 47 HD3 -0.14 0.18 0.29 -0.04 3.65 3.93 3i34X1 GLU 48 H 0.48 0.06 -0.34 -0.55 8.60 8.25 3i34X1 GLU 48 HA -0.07 0.11 0.42 -0.75 4.29 4.00 3i34X1 GLU 48 HB2 -0.75 -0.02 0.02 -0.04 2.09 1.30 3i34X1 GLU 48 HB3 -0.44 -0.07 0.05 -0.04 1.99 1.49 3i34X1 GLU 48 HG2 0.10 0.04 0.00 -0.04 2.34 2.44 3i34X1 GLU 48 HG3 0.00 0.02 -0.01 -0.04 2.34 2.32 3i34X1 PHE 49 H -0.03 0.52 -0.36 -0.55 8.34 7.91 3i34X1 PHE 49 HA -0.03 0.24 0.73 -0.75 4.62 4.81 3i34X1 PHE 49 HB2 0.01 0.21 0.05 -0.04 3.15 3.39 3i34X1 PHE 49 HB3 -0.03 -0.08 0.05 -0.04 3.06 2.95 3i34X1 PHE 49 HD2 -0.02 0.17 -0.14 -0.04 7.28 7.25 3i34X1 PHE 49 HE2 -0.07 -0.01 -0.34 -0.04 7.38 6.92 3i34X1 PHE 49 HZ -0.11 0.08 -0.11 -0.04 7.32 7.13 3i34X1 GLU 50 H 0.09 0.27 -0.09 -0.55 8.60 8.32 3i34X1 GLU 50 HA 0.05 0.03 0.34 -0.75 4.29 3.95 3i34X1 GLU 50 HB2 0.04 0.19 -0.13 -0.04 2.09 2.14 3i34X1 GLU 50 HB3 0.02 -0.03 0.16 -0.04 1.99 2.11 3i34X1 GLU 50 HG2 0.01 0.01 0.02 -0.04 2.34 2.33 3i34X1 GLU 50 HG3 0.01 -0.02 -0.40 -0.04 2.34 1.90 3i34X1 GLY 51 H 0.10 0.05 -0.29 -0.55 8.43 7.74 3i34X1 GLY 51 HA2 0.04 -0.03 0.32 -0.51 4.01 3.83 3i34X1 GLY 51 HA3 0.03 0.13 0.64 -0.51 4.01 4.30 3i34X1 ARG 52 H 0.05 0.60 -0.17 -0.55 8.46 8.39 3i34X1 ARG 52 HA -0.03 0.13 0.70 -0.75 4.34 4.39 3i34X1 ARG 52 HB2 0.01 0.13 0.11 -0.04 1.90 2.12 3i34X1 ARG 52 HB3 -0.07 0.09 0.22 -0.04 1.80 2.00 3i34X1 ARG 52 HG2 -0.02 -0.07 -0.03 -0.04 1.67 1.50 3i34X1 ARG 52 HG3 0.01 -0.01 -0.09 -0.04 1.67 1.53 3i34X1 ARG 52 HD2 -0.03 0.21 -0.19 -0.04 3.22 3.17 3i34X1 ARG 52 HD3 -0.01 -0.09 -0.00 -0.04 3.22 3.07 3i34X1 ALA 53 H -0.02 0.02 -0.17 -0.55 8.40 7.69 3i34X1 ALA 53 HA -0.23 0.35 1.04 -0.75 4.34 4.74 3i34X1 ALA 53 HB3 -0.47 -0.03 -0.05 -0.04 1.41 0.81 3i34X1 GLN 54 H -0.09 0.53 0.28 -0.55 8.47 8.64 3i34X1 GLN 54 HA -0.02 0.01 0.58 -0.75 4.36 4.18 3i34X1 GLN 54 HB2 0.13 0.08 -0.08 -0.04 2.15 2.24 3i34X1 GLN 54 HB3 0.06 0.06 -0.13 -0.04 2.02 1.97 3i34X1 GLN 54 HG2 0.02 -0.08 0.10 -0.04 2.40 2.40 3i34X1 GLN 54 HG3 0.03 0.16 -0.22 -0.04 2.39 2.32 3i34X1 GLN 54 HE21 0.04 -0.02 -0.02 -0.04 6.97 6.93 3i34X1 GLN 54 HE22 0.04 0.08 -0.04 -0.04 7.69 7.72 3i34X1 MET 55 H -0.02 0.13 0.16 -0.55 8.47 8.21 3i34X1 MET 55 HA -0.01 -0.00 0.95 -0.75 4.52 4.71 3i34X1 MET 55 HB2 -0.02 0.01 0.16 -0.04 2.15 2.25 3i34X1 MET 55 HB3 -0.04 0.02 -0.01 -0.04 2.03 1.96 3i34X1 MET 55 HG2 -0.04 -0.01 0.10 -0.04 2.63 2.63 3i34X1 MET 55 HG3 -0.04 0.08 0.03 -0.04 2.56 2.59 3i34X1 MET 55 HE3 -0.04 0.03 -0.03 -0.04 2.10 2.02 3i34X1 VAL 56 H 0.03 0.57 0.36 -0.55 8.24 8.65 3i34X1 VAL 56 HA 0.00 0.25 0.99 -0.75 4.13 4.62 3i34X1 VAL 56 HB 0.13 0.03 0.04 -0.04 2.12 2.28 3i34X1 VAL 56 HG13 -0.12 0.02 -0.20 -0.04 0.97 0.63 3i34X1 VAL 56 HG23 0.26 -0.00 -0.17 -0.04 0.95 1.00 3i34X1 LYS 57 H -0.09 0.23 0.27 -0.55 8.42 8.28 3i34X1 LYS 57 HA -0.33 0.14 0.62 -0.75 4.32 4.00 3i34X1 LYS 57 HB2 -1.16 0.19 -0.25 -0.04 1.87 0.61 3i34X1 LYS 57 HB3 -0.57 -0.12 -0.04 -0.04 1.79 1.02 3i34X1 LYS 57 HG2 -1.20 -0.02 -0.14 -0.04 1.46 0.06 3i34X1 LYS 57 HG3 -0.90 -0.06 -0.32 -0.04 1.46 0.14 3i34X1 LYS 57 HD2 -0.58 -0.03 0.13 -0.04 1.69 1.17 3i34X1 LYS 57 HD3 -0.79 0.06 0.03 -0.04 1.68 0.94 3i34X1 LYS 57 HE2 -0.60 -0.04 -0.08 -0.04 2.99 2.23 3i34X1 LYS 57 HE3 -1.43 0.04 -0.11 -0.04 2.99 1.45 3i34X1 THR 58 H -0.37 0.36 0.17 -0.55 8.28 7.90 3i34X1 THR 58 HA -0.12 0.13 0.66 -0.75 4.39 4.30 3i34X1 THR 58 HB -0.07 -0.04 0.01 -0.04 4.32 4.17 3i34X1 THR 58 HG23 -0.12 0.00 -0.29 -0.04 1.22 0.77 3i34X1 TYR 59 H 0.02 0.35 0.19 -0.55 8.29 8.29 3i34X1 TYR 59 HA -0.25 0.23 0.83 -0.75 4.56 4.61 3i34X1 TYR 59 HB2 -0.60 0.02 0.08 -0.04 3.06 2.51 3i34X1 TYR 59 HB3 -0.43 -0.04 0.17 -0.04 2.98 2.63 3i34X1 TYR 59 HD2 -0.14 0.11 -0.08 -0.04 7.15 7.00 3i34X1 TYR 59 HE2 -0.13 -0.02 -0.18 -0.04 6.85 6.49 3i34X1 TYR 60 H -0.08 0.11 -0.05 -0.55 8.29 7.72 3i34X1 TYR 60 HA -0.39 0.21 0.82 -0.75 4.56 4.44 3i34X1 TYR 60 HB2 -0.26 0.16 0.07 -0.04 3.06 2.99 3i34X1 TYR 60 HB3 -0.76 -0.13 0.16 -0.04 2.98 2.22 3i34X1 TYR 60 HD2 -0.21 0.02 -0.04 -0.04 7.15 6.89 3i34X1 TYR 60 HE2 -0.03 -0.03 -0.39 -0.04 6.85 6.36 3i34X1 TYR 61 H -1.46 0.10 0.15 -0.55 8.29 6.53 3i34X1 TYR 61 HA 0.02 0.13 0.28 -0.75 4.56 4.24 3i34X1 TYR 61 HB2 0.03 0.01 -0.00 -0.04 3.06 3.05 3i34X1 TYR 61 HB3 0.02 0.06 0.12 -0.04 2.98 3.14 3i34X1 TYR 61 HD2 0.04 0.04 0.04 -0.04 7.15 7.23 3i34X1 TYR 61 HE2 0.05 0.01 0.05 -0.04 6.85 6.92 3i34X1 SER 62 H -0.00 0.05 -0.33 -0.55 8.46 7.64 3i34X1 SER 62 HA 0.02 0.24 0.76 -0.75 4.49 4.76 3i34X1 SER 62 HB2 0.07 0.11 -0.12 -0.04 3.95 3.97 3i34X1 SER 62 HB3 0.04 -0.01 -0.01 -0.04 3.93 3.91 3i34X1 SER 63 H -0.01 0.19 0.11 -0.55 8.46 8.20 3i34X1 SER 63 HA -0.03 0.18 0.81 -0.75 4.49 4.70 3i34X1 SER 63 HB2 -0.04 -0.03 0.04 -0.04 3.95 3.87 3i34X1 SER 63 HB3 -0.05 0.07 -0.05 -0.04 3.93 3.85 3i34X1 ARG 64 H -0.01 0.01 -0.11 -0.55 8.46 7.79 3i34X1 ARG 64 HA -0.03 0.05 0.42 -0.75 4.34 4.02 3i34X1 ARG 64 HB2 -0.02 0.04 -0.07 -0.04 1.90 1.81 3i34X1 ARG 64 HB3 -0.01 0.04 0.05 -0.04 1.80 1.84 3i34X1 ASP 65 H -0.06 0.10 -0.00 -0.55 8.40 7.89 3i34X1 ASP 65 HA -0.10 0.44 0.73 -0.75 4.63 4.94 3i34X1 ASP 65 HB2 -0.10 -0.03 -0.42 -0.04 2.71 2.11 3i34X1 ASP 65 HB3 -0.11 -0.02 -0.03 -0.04 2.70 2.50 3i34X1 GLY 66 H -0.09 0.34 0.06 -0.55 8.43 8.19 3i34X1 GLY 66 HA2 -0.06 0.17 0.63 -0.51 4.01 4.24 3i34X1 GLY 66 HA3 -0.05 0.05 0.30 -0.51 4.01 3.81 3i34X1 ASN 67 H -0.15 -0.15 -0.32 -0.55 8.53 7.36 3i34X1 ASN 67 HA -0.05 0.39 0.96 -0.75 4.76 5.31 3i34X1 ASN 67 HB2 -0.06 0.14 0.03 -0.04 2.88 2.95 3i34X1 ASN 67 HB3 -0.11 -0.26 0.13 -0.04 2.79 2.50 3i34X1 ASN 67 HD21 0.05 0.03 -0.14 -0.04 7.03 6.93 3i34X1 ASN 67 HD22 0.00 0.44 -0.10 -0.04 7.74 8.05 3i34X1 GLY 68 H -0.36 -0.05 -0.02 -0.55 8.43 7.46 3i34X1 GLY 68 HA2 -0.98 -0.06 0.30 -0.51 4.01 2.76 3i34X1 GLY 68 HA3 -2.43 0.37 0.79 -0.51 4.01 2.22 3i34X1 HIS 69 H -0.22 0.17 -0.15 -0.55 8.41 7.66 3i34X1 HIS 69 HA 0.01 0.18 0.31 -0.75 4.63 4.38 3i34X1 HIS 69 HB2 0.03 0.13 0.05 -0.04 3.26 3.44 3i34X1 HIS 69 HB3 -0.07 -0.09 0.12 -0.04 3.20 3.11 3i34X1 HIS 69 HD2 0.06 -0.03 0.00 -0.04 6.97 6.96 3i34X1 HIS 69 HE1 0.01 0.48 0.17 -0.04 7.75 8.37 3i34X1 GLY 70 H -0.22 -0.01 -0.09 -0.55 8.43 7.55 3i34X1 GLY 70 HA2 -0.30 0.09 0.39 -0.51 4.01 3.69 3i34X1 GLY 70 HA3 -0.20 0.16 0.32 -0.51 4.01 3.78 3i34X1 THR 71 H -0.18 -0.07 -0.39 -0.55 8.28 7.09 3i34X1 THR 71 HA 0.03 0.04 0.43 -0.75 4.39 4.13 3i34X1 THR 71 HB -0.22 0.12 -0.03 -0.04 4.32 4.16 3i34X1 THR 71 HG23 0.14 0.05 -0.38 -0.04 1.22 0.99 3i34X1 HIS 72 H 0.07 0.43 -0.20 -0.55 8.41 8.16 3i34X1 HIS 72 HA 0.11 0.19 0.42 -0.75 4.63 4.60 3i34X1 HIS 72 HB2 0.45 0.02 0.06 -0.04 3.26 3.75 3i34X1 HIS 72 HB3 0.26 0.01 0.09 -0.04 3.20 3.52 3i34X1 HIS 72 HD2 0.30 0.04 -0.16 -0.04 6.97 7.10 3i34X1 HIS 72 HE1 0.04 0.03 -0.13 -0.04 7.75 7.64 3i34X1 CYS 73 H 0.15 0.49 -0.06 -0.55 8.50 8.54 3i34X1 CYS 73 HA 0.10 0.09 0.39 -0.75 4.58 4.41 3i34X1 CYS 73 HB2 -0.04 -0.01 0.13 -0.04 2.97 3.00 3i34X1 CYS 73 HB3 0.02 -0.01 -0.02 -0.04 2.97 2.92 3i34X1 ALA 74 H -0.00 0.57 -0.18 -0.55 8.40 8.25 3i34X1 ALA 74 HA -0.04 0.04 0.36 -0.75 4.34 3.95 3i34X1 ALA 74 HB3 -0.13 0.00 -0.01 -0.04 1.41 1.23 3i34X1 GLY 75 H 0.10 0.47 -0.36 -0.55 8.43 8.09 3i34X1 GLY 75 HA2 0.12 -0.04 0.36 -0.51 4.01 3.95 3i34X1 GLY 75 HA3 -0.08 -0.08 0.32 -0.51 4.01 3.66 3i34X1 THR 76 H -0.09 0.39 -0.24 -0.55 8.28 7.80 3i34X1 THR 76 HA -0.21 0.37 0.42 -0.75 4.39 4.22 3i34X1 THR 76 HB -0.15 0.03 0.07 -0.04 4.32 4.23 3i34X1 THR 76 HG23 -0.70 0.03 -0.18 -0.04 1.22 0.33 3i34X1 VAL 77 H -0.06 0.34 -0.23 -0.55 8.24 7.73 3i34X1 VAL 77 HA -0.09 0.10 0.50 -0.75 4.13 3.89 3i34X1 VAL 77 HB -0.05 0.10 0.08 -0.04 2.12 2.21 3i34X1 VAL 77 HG13 -0.05 -0.00 -0.24 -0.04 0.97 0.64 3i34X1 VAL 77 HG23 -0.03 0.02 -0.03 -0.04 0.95 0.87 3i34X1 GLY 78 H 0.01 0.34 -0.17 -0.55 8.43 8.06 3i34X1 GLY 78 HA2 -0.04 0.21 0.58 -0.51 4.01 4.25 3i34X1 GLY 78 HA3 -0.02 0.01 0.01 -0.51 4.01 3.51 3i34X1 SER 79 H 0.02 0.30 0.05 -0.55 8.46 8.29 3i34X1 SER 79 HA 0.00 0.23 0.58 -0.75 4.49 4.55 3i34X1 SER 79 HB2 -0.25 -0.09 0.09 -0.04 3.95 3.65 3i34X1 SER 79 HB3 -0.26 -0.10 0.08 -0.04 3.93 3.61 3i34X1 ARG 80 H -0.10 0.51 0.30 -0.55 8.46 8.61 3i34X1 ARG 80 HA -0.07 0.20 0.35 -0.75 4.34 4.06 3i34X1 ARG 80 HB2 -0.05 0.13 0.17 -0.04 1.90 2.11 3i34X1 ARG 80 HB3 -0.09 -0.17 0.16 -0.04 1.80 1.66 3i34X1 ARG 80 HG2 -0.06 -0.01 -0.09 -0.04 1.67 1.47 3i34X1 ARG 80 HG3 -0.03 0.08 0.05 -0.04 1.67 1.73 3i34X1 ARG 80 HD2 -0.02 -0.02 -0.02 -0.04 3.22 3.12 3i34X1 ARG 80 HD3 -0.02 0.03 0.01 -0.04 3.22 3.20 3i34X1 THR 81 H -0.26 -0.08 -0.09 -0.55 8.28 7.30 3i34X1 THR 81 HA -0.27 0.26 0.66 -0.75 4.39 4.28 3i34X1 THR 81 HB -1.28 -0.11 0.02 -0.04 4.32 2.91 3i34X1 THR 81 HG23 -0.60 0.01 -0.09 -0.04 1.22 0.51 3i34X1 TYR 82 H -0.26 -0.09 -0.15 -0.55 8.29 7.24 3i34X1 TYR 82 HA -0.15 0.19 0.58 -0.75 4.56 4.43 3i34X1 TYR 82 HB2 -0.21 -0.10 -0.05 -0.04 3.06 2.66 3i34X1 TYR 82 HB3 -0.19 0.19 0.12 -0.04 2.98 3.06 3i34X1 TYR 82 HD2 -0.16 0.02 -0.11 -0.04 7.15 6.87 3i34X1 TYR 82 HE2 -0.07 0.01 -0.12 -0.04 6.85 6.63 3i34X1 GLY 83 H -0.14 0.26 -0.47 -0.55 8.43 7.54 3i34X1 GLY 83 HA2 -0.16 0.20 0.41 -0.51 4.01 3.96 3i34X1 GLY 83 HA3 -0.10 -0.04 -0.13 -0.51 4.01 3.23 3i34X1 VAL 84 H -0.18 0.52 0.07 -0.55 8.24 8.09 3i34X1 VAL 84 HA -0.26 0.04 0.48 -0.75 4.13 3.65 3i34X1 VAL 84 HB -0.11 0.00 0.16 -0.04 2.12 2.13 3i34X1 VAL 84 HG13 -0.07 -0.00 -0.29 -0.04 0.97 0.57 3i34X1 VAL 84 HG23 -0.22 0.04 0.07 -0.04 0.95 0.79 3i34X1 ALA 85 H -0.07 0.70 0.07 -0.55 8.40 8.56 3i34X1 ALA 85 HA 0.00 0.06 0.65 -0.75 4.34 4.29 3i34X1 ALA 85 HB3 0.02 0.03 0.02 -0.04 1.41 1.44 3i34X1 LYS 86 H -0.11 0.17 -0.05 -0.55 8.42 7.88 3i34X1 LYS 86 HA -0.06 0.14 -0.13 -0.75 4.32 3.52 3i34X1 LYS 86 HB2 -0.09 -0.04 -0.03 -0.04 1.87 1.67 3i34X1 LYS 86 HB3 -0.06 -0.06 0.03 -0.04 1.79 1.65 3i34X1 LYS 86 HG2 -0.13 0.13 -0.20 -0.04 1.46 1.22 3i34X1 LYS 86 HG3 -0.25 0.02 -0.29 -0.04 1.46 0.89 3i34X1 LYS 86 HD2 -0.28 -0.10 -0.07 -0.04 1.69 1.20 3i34X1 LYS 86 HD3 -0.09 0.08 0.05 -0.04 1.68 1.68 3i34X1 LYS 86 HE2 -0.31 0.01 -0.09 -0.04 2.99 2.56 3i34X1 LYS 86 HE3 -0.05 -0.15 -0.05 -0.04 2.99 2.70 3i34X1 LYS 87 H -0.01 0.48 -0.35 -0.55 8.42 7.99 3i34X1 LYS 87 HA -0.01 0.18 0.86 -0.75 4.32 4.60 3i34X1 LYS 87 HB2 0.01 0.08 -0.13 -0.04 1.87 1.79 3i34X1 LYS 87 HB3 -0.00 -0.12 0.09 -0.04 1.79 1.71 3i34X1 LYS 87 HG2 0.02 -0.06 -0.04 -0.04 1.46 1.33 3i34X1 LYS 87 HG3 0.01 0.05 -0.07 -0.04 1.46 1.41 3i34X1 LYS 87 HD2 0.02 -0.10 -0.53 -0.04 1.69 1.04 3i34X1 LYS 87 HD3 0.06 0.04 -0.24 -0.04 1.68 1.49 3i34X1 LYS 87 HE2 0.04 -0.04 -0.09 -0.04 2.99 2.86 3i34X1 LYS 87 HE3 0.10 -0.03 -0.08 -0.04 2.99 2.94 3i34X1 THR 88 H -0.03 0.32 -0.14 -0.55 8.28 7.88 3i34X1 THR 88 HA -0.06 0.18 0.46 -0.75 4.39 4.22 3i34X1 THR 88 HB -0.04 -0.06 0.01 -0.04 4.32 4.19 3i34X1 THR 88 HG23 -0.09 0.03 -0.27 -0.04 1.22 0.85 3i34X1 GLN 89 H -0.17 0.47 0.30 -0.55 8.47 8.52 3i34X1 GLN 89 HA -0.24 0.27 0.94 -0.75 4.36 4.58 3i34X1 GLN 89 HB2 -0.35 0.02 0.25 -0.04 2.15 2.03 3i34X1 GLN 89 HB3 -0.57 -0.05 0.03 -0.04 2.02 1.39 3i34X1 GLN 89 HG2 -0.10 0.03 0.05 -0.04 2.40 2.34 3i34X1 GLN 89 HG3 -0.06 -0.01 0.08 -0.04 2.39 2.36 3i34X1 GLN 89 HE21 -0.03 -0.01 0.03 -0.04 6.97 6.93 3i34X1 GLN 89 HE22 -0.04 0.01 0.00 -0.04 7.69 7.63 3i34X1 LEU 90 H -0.37 0.80 0.34 -0.55 8.37 8.59 3i34X1 LEU 90 HA -0.42 0.29 0.96 -0.75 4.35 4.42 3i34X1 LEU 90 HB2 -0.34 -0.08 0.07 -0.04 1.64 1.24 3i34X1 LEU 90 HB3 -0.31 -0.15 -0.08 -0.04 1.64 1.07 3i34X1 LEU 90 HG -0.19 0.16 -0.42 -0.04 1.64 1.15 3i34X1 LEU 90 HD13 -0.15 -0.04 -0.25 -0.04 0.93 0.44 3i34X1 LEU 90 HD23 -0.14 -0.01 -0.15 -0.04 0.89 0.55 3i34X1 PHE 91 H -0.32 0.63 0.34 -0.55 8.34 8.43 3i34X1 PHE 91 HA -0.17 0.33 1.06 -0.75 4.62 5.08 3i34X1 PHE 91 HB2 -0.87 -0.08 0.04 -0.04 3.15 2.21 3i34X1 PHE 91 HB3 -0.24 -0.02 -0.07 -0.04 3.06 2.69 3i34X1 PHE 91 HD2 -0.80 -0.01 -0.17 -0.04 7.28 6.26 3i34X1 PHE 91 HE2 -0.15 0.03 -0.16 -0.04 7.38 7.06 3i34X1 PHE 91 HZ -0.10 0.04 -0.11 -0.04 7.32 7.11 3i34X1 GLY 92 H 0.04 0.69 0.43 -0.55 8.43 9.05 3i34X1 GLY 92 HA2 0.01 0.19 0.77 -0.51 4.01 4.48 3i34X1 GLY 92 HA3 -0.03 -0.11 0.32 -0.51 4.01 3.68 3i34X1 VAL 93 H 0.07 0.63 0.29 -0.55 8.24 8.69 3i34X1 VAL 93 HA 0.00 0.24 0.91 -0.75 4.13 4.52 3i34X1 VAL 93 HB 0.14 -0.07 0.08 -0.04 2.12 2.24 3i34X1 VAL 93 HG13 0.08 0.01 -0.19 -0.04 0.97 0.83 3i34X1 VAL 93 HG23 0.34 0.04 -0.27 -0.04 0.95 1.02 3i34X1 LYS 94 H -0.01 0.78 0.23 -0.55 8.42 8.86 3i34X1 LYS 94 HA 0.04 0.17 0.65 -0.75 4.32 4.42 3i34X1 LYS 94 HB2 -0.01 -0.03 -0.03 -0.04 1.87 1.76 3i34X1 LYS 94 HB3 0.05 -0.06 0.33 -0.04 1.79 2.07 3i34X1 LYS 94 HG2 0.15 -0.09 -0.13 -0.04 1.46 1.34 3i34X1 LYS 94 HG3 -0.03 -0.01 -0.15 -0.04 1.46 1.22 3i34X1 LYS 94 HD2 -0.05 0.08 -0.26 -0.04 1.69 1.42 3i34X1 LYS 94 HD3 0.02 0.07 0.05 -0.04 1.68 1.77 3i34X1 LYS 94 HE2 -0.11 0.01 -0.02 -0.04 2.99 2.83 3i34X1 LYS 94 HE3 -0.28 -0.16 -0.00 -0.04 2.99 2.50 3i34X1 VAL 95 H 0.10 0.33 0.26 -0.55 8.24 8.38 3i34X1 VAL 95 HA 0.23 0.15 0.77 -0.75 4.13 4.52 3i34X1 VAL 95 HB -0.01 -0.09 -0.15 -0.04 2.12 1.83 3i34X1 VAL 95 HG13 0.03 0.04 -0.15 -0.04 0.97 0.84 3i34X1 VAL 95 HG23 0.05 0.00 -0.20 -0.04 0.95 0.77 3i34X1 LEU 96 H 0.07 0.42 0.05 -0.55 8.37 8.36 3i34X1 LEU 96 HA 0.03 0.25 0.72 -0.75 4.35 4.59 3i34X1 LEU 96 HB2 -0.03 -0.13 -0.29 -0.04 1.64 1.14 3i34X1 LEU 96 HB3 -0.02 -0.05 -0.33 -0.04 1.64 1.20 3i34X1 LEU 96 HG 0.03 -0.05 -0.28 -0.04 1.64 1.30 3i34X1 LEU 96 HD13 0.07 0.01 -0.09 -0.04 0.93 0.88 3i34X1 LEU 96 HD23 0.05 0.04 -0.37 -0.04 0.89 0.57 3i34X1 ASP 97 H -0.24 0.74 0.27 -0.55 8.40 8.62 3i34X1 ASP 97 HA -0.91 0.18 0.54 -0.75 4.63 3.68 3i34X1 ASP 97 HB2 -0.35 -0.07 0.22 -0.04 2.71 2.47 3i34X1 ASP 97 HB3 -0.65 0.11 0.13 -0.04 2.70 2.24 3i34X1 ASP 98 H -0.19 0.21 0.17 -0.55 8.40 8.04 3i34X1 ASP 98 HA -0.11 0.04 0.35 -0.75 4.63 4.16 3i34X1 ASP 98 HB2 -0.05 0.04 0.10 -0.04 2.71 2.76 3i34X1 ASP 98 HB3 -0.04 0.19 -0.01 -0.04 2.70 2.80 3i34X1 ASN 99 H -0.08 -0.02 -0.37 -0.55 8.53 7.51 3i34X1 ASN 99 HA -0.01 0.26 0.77 -0.75 4.76 5.03 3i34X1 ASN 99 HB2 -0.03 -0.10 0.00 -0.04 2.88 2.72 3i34X1 ASN 99 HB3 -0.01 0.08 0.10 -0.04 2.79 2.92 3i34X1 ASN 99 HD21 0.01 0.06 -0.01 -0.04 7.03 7.04 3i34X1 ASN 99 HD22 -0.00 -0.03 -0.00 -0.04 7.74 7.67 3i34X1 GLY 100 H -0.06 0.45 -0.32 -0.55 8.43 7.95 3i34X1 GLY 100 HA2 0.02 -0.02 0.23 -0.51 4.01 3.73 3i34X1 GLY 100 HA3 0.02 0.14 0.54 -0.51 4.01 4.20 3i34X1 SER 101 H -0.05 -0.07 -0.14 -0.55 8.46 7.66 3i34X1 SER 101 HA -0.01 0.26 0.83 -0.75 4.49 4.82 3i34X1 SER 101 HB2 -0.02 -0.10 -0.01 -0.04 3.95 3.78 3i34X1 SER 101 HB3 -0.01 0.03 -0.02 -0.04 3.93 3.89 3i34X1 GLY 102 H -0.01 0.32 0.16 -0.55 8.43 8.36 3i34X1 GLY 102 HA2 0.10 0.05 0.66 -0.51 4.01 4.32 3i34X1 GLY 102 HA3 0.07 0.19 0.33 -0.51 4.01 4.08 3i34X1 GLN 103 H 0.04 0.16 0.16 -0.55 8.47 8.28 3i34X1 GLN 103 HA -0.06 0.14 0.63 -0.75 4.36 4.32 3i34X1 GLN 103 HB2 -0.01 -0.16 0.06 -0.04 2.15 2.00 3i34X1 GLN 103 HB3 -0.01 0.08 0.15 -0.04 2.02 2.20 3i34X1 GLN 103 HG2 0.01 0.10 0.07 -0.04 2.40 2.53 3i34X1 GLN 103 HG3 0.02 0.00 0.08 -0.04 2.39 2.45 3i34X1 GLN 103 HE21 0.14 0.13 0.09 -0.04 6.97 7.30 3i34X1 GLN 103 HE22 0.13 -0.07 0.12 -0.04 7.69 7.84 3i34X1 TYR 104 H -0.00 0.21 0.19 -0.55 8.29 8.14 3i34X1 TYR 104 HA -0.04 0.12 0.34 -0.75 4.56 4.22 3i34X1 TYR 104 HB2 -0.03 0.01 0.15 -0.04 3.06 3.16 3i34X1 TYR 104 HB3 -0.04 0.01 -0.04 -0.04 2.98 2.86 3i34X1 TYR 104 HD2 -0.03 -0.01 -0.01 -0.04 7.15 7.06 3i34X1 TYR 104 HE2 -0.01 0.08 -0.10 -0.04 6.85 6.78 3i34X1 SER 105 H 0.05 0.09 -0.19 -0.55 8.46 7.86 3i34X1 SER 105 HA -0.02 0.10 0.39 -0.75 4.49 4.21 3i34X1 SER 105 HB2 -0.00 0.03 0.07 -0.04 3.95 4.00 3i34X1 SER 105 HB3 -0.02 -0.04 0.04 -0.04 3.93 3.87 3i34X1 THR 106 H -0.07 0.12 -0.29 -0.55 8.28 7.49 3i34X1 THR 106 HA -0.39 0.12 0.54 -0.75 4.39 3.90 3i34X1 THR 106 HB -0.11 0.05 0.16 -0.04 4.32 4.37 3i34X1 THR 106 HG23 -0.49 0.01 -0.05 -0.04 1.22 0.64 3i34X1 ILE 107 H -0.03 0.43 -0.12 -0.55 8.25 7.98 3i34X1 ILE 107 HA -0.05 0.03 0.38 -0.75 4.18 3.78 3i34X1 ILE 107 HB 0.10 0.03 0.07 -0.04 1.89 2.05 3i34X1 ILE 107 HG12 0.05 -0.03 -0.14 -0.04 1.49 1.33 3i34X1 ILE 107 HG13 0.04 0.04 -0.13 -0.04 1.21 1.12 3i34X1 ILE 107 HG23 0.03 -0.00 -0.19 -0.04 0.93 0.73 3i34X1 ILE 107 HD13 0.16 -0.02 -0.21 -0.04 0.88 0.77 3i34X1 ILE 108 H -0.05 0.62 -0.16 -0.55 8.25 8.10 3i34X1 ILE 108 HA -0.06 0.02 0.41 -0.75 4.18 3.79 3i34X1 ILE 108 HB -0.06 0.07 0.11 -0.04 1.89 1.98 3i34X1 ILE 108 HG12 -0.11 0.03 -0.04 -0.04 1.49 1.33 3i34X1 ILE 108 HG13 -0.10 0.02 -0.00 -0.04 1.21 1.09 3i34X1 ILE 108 HG23 -0.05 0.00 -0.14 -0.04 0.93 0.69 3i34X1 ILE 108 HD13 -0.09 -0.06 -0.25 -0.04 0.88 0.43 3i34X1 ALA 109 H -0.14 0.47 -0.22 -0.55 8.40 7.96 3i34X1 ALA 109 HA -0.02 0.02 0.38 -0.75 4.34 3.97 3i34X1 ALA 109 HB3 -0.20 0.03 0.10 -0.04 1.41 1.30 3i34X1 GLY 110 H -0.19 0.48 -0.33 -0.55 8.43 7.84 3i34X1 GLY 110 HA2 0.23 0.01 0.29 -0.51 4.01 4.03 3i34X1 GLY 110 HA3 0.05 0.01 0.20 -0.51 4.01 3.76 3i34X1 MET 111 H -0.00 0.44 -0.19 -0.55 8.47 8.17 3i34X1 MET 111 HA 0.00 0.02 0.43 -0.75 4.52 4.22 3i34X1 MET 111 HB2 -0.03 0.07 0.11 -0.04 2.15 2.26 3i34X1 MET 111 HB3 -0.03 0.06 -0.12 -0.04 2.03 1.90 3i34X1 MET 111 HG2 -0.01 -0.02 -0.07 -0.04 2.63 2.49 3i34X1 MET 111 HG3 -0.01 0.11 -0.03 -0.04 2.56 2.58 3i34X1 MET 111 HE3 -0.06 0.02 -0.12 -0.04 2.10 1.90 3i34X1 ASP 112 H 0.01 0.56 -0.06 -0.55 8.40 8.36 3i34X1 ASP 112 HA -0.03 0.05 0.44 -0.75 4.63 4.33 3i34X1 ASP 112 HB2 0.02 0.07 0.10 -0.04 2.71 2.86 3i34X1 ASP 112 HB3 0.00 -0.01 -0.01 -0.04 2.70 2.65 3i34X1 PHE 113 H 0.19 0.54 -0.31 -0.55 8.34 8.20 3i34X1 PHE 113 HA -0.02 0.01 0.41 -0.75 4.62 4.27 3i34X1 PHE 113 HB2 0.09 0.00 0.04 -0.04 3.15 3.24 3i34X1 PHE 113 HB3 0.06 0.15 0.12 -0.04 3.06 3.35 3i34X1 PHE 113 HD2 -0.01 0.02 -0.13 -0.04 7.28 7.12 3i34X1 PHE 113 HE2 0.02 -0.00 -0.13 -0.04 7.38 7.23 3i34X1 PHE 113 HZ -0.03 0.11 -0.12 -0.04 7.32 7.24 3i34X1 VAL 114 H 0.04 0.47 -0.20 -0.55 8.24 8.00 3i34X1 VAL 114 HA -0.56 -0.01 0.30 -0.75 4.13 3.11 3i34X1 VAL 114 HB -0.20 0.11 0.08 -0.04 2.12 2.07 3i34X1 VAL 114 HG13 -0.99 -0.00 -0.18 -0.04 0.97 -0.24 3i34X1 VAL 114 HG23 -0.07 0.04 -0.04 -0.04 0.95 0.84 3i34X1 ALA 115 H -0.14 0.40 -0.25 -0.55 8.40 7.86 3i34X1 ALA 115 HA -0.13 0.06 0.28 -0.75 4.34 3.80 3i34X1 ALA 115 HB3 -0.08 0.01 0.02 -0.04 1.41 1.33 3i34X1 SER 116 H -0.20 0.35 -0.32 -0.55 8.46 7.74 3i34X1 SER 116 HA -0.12 0.13 0.71 -0.75 4.49 4.46 3i34X1 SER 116 HB2 -0.10 -0.03 0.05 -0.04 3.95 3.83 3i34X1 SER 116 HB3 -0.21 0.07 0.12 -0.04 3.93 3.87 3i34X1 ASP 117 H -0.51 0.72 0.07 -0.55 8.40 8.13 3i34X1 ASP 117 HA -0.32 0.00 0.21 -0.75 4.63 3.77 3i34X1 ASP 117 HB2 -1.58 0.03 0.02 -0.04 2.71 1.14 3i34X1 ASP 117 HB3 -0.59 -0.01 -0.02 -0.04 2.70 2.04 3i34X1 LYS 118 H -0.19 0.48 -0.41 -0.55 8.42 7.75 3i34X1 LYS 118 HA 0.11 -0.02 0.32 -0.75 4.32 3.97 3i34X1 LYS 118 HB2 0.08 -0.03 0.00 -0.04 1.87 1.89 3i34X1 LYS 118 HB3 0.01 -0.01 -0.01 -0.04 1.79 1.73 3i34X1 LYS 118 HG2 -0.09 0.18 -0.12 -0.04 1.46 1.38 3i34X1 LYS 118 HG3 -0.03 0.00 -0.24 -0.04 1.46 1.15 3i34X1 LYS 118 HD2 0.01 -0.04 -0.12 -0.04 1.69 1.50 3i34X1 LYS 118 HD3 -0.03 -0.10 -0.19 -0.04 1.68 1.32 3i34X1 LYS 118 HE2 -0.02 -0.00 -0.32 -0.04 2.99 2.60 3i34X1 LYS 118 HE3 -0.05 0.07 -0.04 -0.04 2.99 2.92 3i34X1 ASN 119 H -0.09 0.49 -0.38 -0.55 8.53 8.01 3i34X1 ASN 119 HA -0.03 0.10 0.53 -0.75 4.76 4.60 3i34X1 ASN 119 HB2 -0.07 0.12 0.09 -0.04 2.88 2.98 3i34X1 ASN 119 HB3 -0.04 -0.08 0.14 -0.04 2.79 2.76 3i34X1 ASN 119 HD21 -0.03 0.03 -0.00 -0.04 7.03 6.99 3i34X1 ASN 119 HD22 -0.03 0.01 -0.01 -0.04 7.74 7.68 3i34X1 ASN 120 H -0.09 0.57 -0.48 -0.55 8.53 8.00 3i34X1 ASN 120 HA -0.05 0.12 0.79 -0.75 4.76 4.86 3i34X1 ASN 120 HB2 -0.12 0.14 0.09 -0.04 2.88 2.95 3i34X1 ASN 120 HB3 -0.08 -0.08 0.14 -0.04 2.79 2.73 3i34X1 ASN 120 HD21 -0.07 -0.05 -0.08 -0.04 7.03 6.79 3i34X1 ASN 120 HD22 -0.12 -0.02 -0.04 -0.04 7.74 7.53 3i34X1 ARG 121 H -0.04 0.47 -0.24 -0.55 8.46 8.10 3i34X1 ARG 121 HA -0.05 0.12 0.87 -0.75 4.34 4.52 3i34X1 ARG 121 HB2 0.04 0.07 -0.07 -0.04 1.90 1.90 3i34X1 ARG 121 HB3 0.04 -0.02 -0.07 -0.04 1.80 1.71 3i34X1 ARG 121 HG2 -0.19 0.18 -0.24 -0.04 1.67 1.38 3i34X1 ARG 121 HG3 -0.62 -0.09 -0.20 -0.04 1.67 0.73 3i34X1 ARG 121 HD2 -1.06 -0.04 -0.12 -0.04 3.22 1.95 3i34X1 ARG 121 HD3 -0.27 0.20 -0.20 -0.04 3.22 2.91 3i34X1 ASN 122 H 0.07 0.14 0.07 -0.55 8.53 8.27 3i34X1 ASN 122 HA 0.03 0.14 0.83 -0.75 4.76 5.00 3i34X1 ASN 122 HB2 0.04 -0.03 0.15 -0.04 2.88 2.99 3i34X1 ASN 122 HB3 0.03 0.02 0.10 -0.04 2.79 2.90 3i34X1 ASN 122 HD21 0.01 -0.02 -0.00 -0.04 7.03 6.97 3i34X1 ASN 122 HD22 0.01 -0.00 0.01 -0.04 7.74 7.72 3i34X1 CYS 123 H 0.04 0.22 -0.04 -0.55 8.50 8.17 3i34X1 CYS 123 HA 0.03 0.26 0.68 -0.75 4.58 4.80 3i34X1 CYS 123 HB2 0.07 0.00 0.03 -0.04 2.97 3.03 3i34X1 CYS 123 HB3 0.06 0.12 0.02 -0.04 2.97 3.13 3i34X1 PRO 124 HA 0.00 0.03 0.37 -0.51 4.44 4.33 3i34X1 PRO 124 HB2 -0.00 0.05 0.01 -0.04 2.28 2.29 3i34X1 PRO 124 HB3 0.00 -0.04 0.12 -0.04 2.02 2.06 3i34X1 PRO 124 HG2 -0.00 0.08 0.14 -0.04 2.03 2.21 3i34X1 PRO 124 HG3 0.00 -0.02 0.06 -0.04 2.03 2.03 3i34X1 PRO 124 HD2 0.01 0.26 0.05 -0.04 3.68 3.96 3i34X1 PRO 124 HD3 0.01 -0.03 -0.09 -0.04 3.65 3.50 3i34X1 LYS 125 H -0.00 0.64 -0.20 -0.55 8.42 8.31 3i34X1 LYS 125 HA -0.02 0.14 0.68 -0.75 4.32 4.36 3i34X1 LYS 125 HB2 -0.02 -0.00 -0.50 -0.04 1.87 1.31 3i34X1 LYS 125 HB3 -0.03 -0.03 -0.25 -0.04 1.79 1.44 3i34X1 LYS 125 HG2 -0.02 -0.10 -0.05 -0.04 1.46 1.25 3i34X1 LYS 125 HG3 -0.03 0.14 0.00 -0.04 1.46 1.53 3i34X1 LYS 125 HD2 -0.04 0.14 0.07 -0.04 1.69 1.82 3i34X1 LYS 125 HD3 -0.02 0.00 -0.12 -0.04 1.68 1.50 3i34X1 LYS 125 HE2 -0.02 -0.09 -0.04 -0.04 2.99 2.80 3i34X1 LYS 125 HE3 -0.03 0.06 0.03 -0.04 2.99 3.00 3i34X1 GLY 126 H 0.01 0.34 -0.15 -0.55 8.43 8.09 3i34X1 GLY 126 HA2 0.02 0.04 0.34 -0.51 4.01 3.90 3i34X1 GLY 126 HA3 0.01 0.13 0.91 -0.51 4.01 4.54 3i34X1 VAL 127 H 0.04 0.22 0.29 -0.55 8.24 8.23 3i34X1 VAL 127 HA 0.10 0.26 1.07 -0.75 4.13 4.80 3i34X1 VAL 127 HB 0.07 0.08 0.13 -0.04 2.12 2.36 3i34X1 VAL 127 HG13 0.27 -0.02 -0.14 -0.04 0.97 1.04 3i34X1 VAL 127 HG23 0.10 0.01 -0.12 -0.04 0.95 0.90 3i34X1 VAL 128 H 0.12 0.64 0.47 -0.55 8.24 8.92 3i34X1 VAL 128 HA 0.06 0.14 0.99 -0.75 4.13 4.56 3i34X1 VAL 128 HB 0.05 -0.02 0.10 -0.04 2.12 2.20 3i34X1 VAL 128 HG13 0.04 0.03 -0.01 -0.04 0.97 1.00 3i34X1 VAL 128 HG23 0.04 0.00 -0.22 -0.04 0.95 0.72 3i34X1 ALA 129 H 0.06 0.77 0.32 -0.55 8.40 9.01 3i34X1 ALA 129 HA 0.15 0.21 0.88 -0.75 4.34 4.83 3i34X1 ALA 129 HB3 0.04 -0.01 -0.05 -0.04 1.41 1.35 3i34X1 SER 130 H 0.08 0.76 0.33 -0.55 8.46 9.09 3i34X1 SER 130 HA 0.04 0.23 0.89 -0.75 4.49 4.90 3i34X1 SER 130 HB2 0.03 0.05 -0.04 -0.04 3.95 3.94 3i34X1 SER 130 HB3 0.03 -0.09 0.14 -0.04 3.93 3.97 3i34X1 LEU 131 H 0.04 0.77 0.27 -0.55 8.37 8.91 3i34X1 LEU 131 HA 0.04 0.20 0.94 -0.75 4.35 4.77 3i34X1 LEU 131 HB2 0.03 0.14 0.22 -0.04 1.64 1.99 3i34X1 LEU 131 HB3 0.04 -0.07 0.15 -0.04 1.64 1.71 3i34X1 LEU 131 HG 0.03 0.00 -0.25 -0.04 1.64 1.39 3i34X1 LEU 131 HD13 0.01 0.01 -0.09 -0.04 0.93 0.81 3i34X1 LEU 131 HD23 0.03 0.01 -0.04 -0.04 0.89 0.85 3i34X1 SER 132 H 0.04 0.29 0.01 -0.55 8.46 8.26 3i34X1 SER 132 HA 0.09 0.08 0.85 -0.75 4.49 4.75 3i34X1 SER 132 HB2 0.13 -0.02 0.18 -0.04 3.95 4.20 3i34X1 SER 132 HB3 0.26 -0.13 0.23 -0.04 3.93 4.26 3i34X1 LEU 133 H 0.07 0.50 -0.16 -0.55 8.37 8.23 3i34X1 LEU 133 HA 0.09 0.10 0.64 -0.75 4.35 4.43 3i34X1 LEU 133 HB2 0.09 -0.02 0.05 -0.04 1.64 1.72 3i34X1 LEU 133 HB3 0.10 0.06 -0.09 -0.04 1.64 1.66 3i34X1 LEU 133 HG 0.06 -0.11 -0.27 -0.04 1.64 1.28 3i34X1 LEU 133 HD13 0.07 0.01 -0.21 -0.04 0.93 0.76 3i34X1 LEU 133 HD23 0.05 -0.00 -0.17 -0.04 0.89 0.73 3i34X1 GLY 134 H 0.08 0.26 0.22 -0.55 8.43 8.45 3i34X1 GLY 134 HA2 0.14 0.19 0.47 -0.51 4.01 4.30 3i34X1 GLY 134 HA3 0.09 0.08 0.48 -0.51 4.01 4.15 3i34X1 GLY 135 H 0.25 0.57 0.35 -0.55 8.43 9.05 3i34X1 GLY 135 HA2 0.17 0.09 0.52 -0.51 4.01 4.28 3i34X1 GLY 135 HA3 0.15 -0.00 0.45 -0.51 4.01 4.10 3i34X1 GLY 136 H 0.12 0.08 0.18 -0.55 8.43 8.27 3i34X1 GLY 136 HA2 -0.05 0.24 0.56 -0.51 4.01 4.24 3i34X1 GLY 136 HA3 0.05 0.04 0.39 -0.51 4.01 3.99 3i34X1 TYR 137 H 0.04 0.33 0.15 -0.55 8.29 8.26 3i34X1 TYR 137 HA -0.01 -0.04 0.06 -0.75 4.56 3.81 3i34X1 TYR 137 HB2 -0.08 0.08 -0.07 -0.04 3.06 2.95 3i34X1 TYR 137 HB3 -0.05 -0.02 0.07 -0.04 2.98 2.93 3i34X1 TYR 137 HD2 -0.02 0.07 -0.19 -0.04 7.15 6.96 3i34X1 TYR 137 HE2 -0.02 0.02 -0.09 -0.04 6.85 6.72 3i34X1 SER 138 H -0.69 0.20 0.07 -0.55 8.46 7.49 3i34X1 SER 138 HA -0.23 0.17 0.67 -0.75 4.49 4.34 3i34X1 SER 138 HB2 -0.10 0.19 -0.01 -0.04 3.95 3.99 3i34X1 SER 138 HB3 -0.51 0.02 0.09 -0.04 3.93 3.49 3i34X1 SER 139 H -0.20 0.27 0.10 -0.55 8.46 8.08 3i34X1 SER 139 HA -0.26 0.13 0.46 -0.75 4.49 4.07 3i34X1 SER 139 HB2 -0.00 0.08 0.07 -0.04 3.95 4.06 3i34X1 SER 139 HB3 0.09 0.08 0.10 -0.04 3.93 4.15 3i34X1 SER 140 H -0.15 0.07 -0.17 -0.55 8.46 7.66 3i34X1 SER 140 HA -0.09 0.17 0.41 -0.75 4.49 4.23 3i34X1 SER 140 HB2 -0.11 -0.06 0.02 -0.04 3.95 3.76 3i34X1 SER 140 HB3 -0.09 0.06 -0.05 -0.04 3.93 3.82 3i34X1 VAL 141 H -0.32 0.06 -0.24 -0.55 8.24 7.20 3i34X1 VAL 141 HA -0.23 0.09 0.47 -0.75 4.13 3.71 3i34X1 VAL 141 HB -0.50 0.06 0.06 -0.04 2.12 1.70 3i34X1 VAL 141 HG13 -0.27 0.02 -0.26 -0.04 0.97 0.42 3i34X1 VAL 141 HG23 -1.17 -0.00 -0.03 -0.04 0.95 -0.29 3i34X1 ASN 142 H -0.26 0.48 -0.11 -0.55 8.53 8.10 3i34X1 ASN 142 HA -0.10 0.04 0.45 -0.75 4.76 4.39 3i34X1 ASN 142 HB2 -0.16 0.06 0.15 -0.04 2.88 2.88 3i34X1 ASN 142 HB3 -0.06 0.04 -0.02 -0.04 2.79 2.71 3i34X1 ASN 142 HD21 0.07 0.03 -0.23 -0.04 7.03 6.86 3i34X1 ASN 142 HD22 0.05 0.06 -0.13 -0.04 7.74 7.68 3i34X1 SER 143 H -0.11 0.50 -0.20 -0.55 8.46 8.11 3i34X1 SER 143 HA -0.04 0.05 0.42 -0.75 4.49 4.17 3i34X1 SER 143 HB2 -0.05 0.05 0.12 -0.04 3.95 4.04 3i34X1 SER 143 HB3 -0.06 0.03 0.13 -0.04 3.93 3.99 3i34X1 ALA 144 H -0.09 0.43 -0.23 -0.55 8.40 7.97 3i34X1 ALA 144 HA -0.05 0.05 0.50 -0.75 4.34 4.09 3i34X1 ALA 144 HB3 -0.07 0.02 0.12 -0.04 1.41 1.44 3i34X1 ALA 145 H -0.07 0.47 -0.14 -0.55 8.40 8.12 3i34X1 ALA 145 HA -0.03 0.01 0.44 -0.75 4.34 4.00 3i34X1 ALA 145 HB3 -0.03 0.02 0.08 -0.04 1.41 1.44 3i34X1 ALA 146 H -0.03 0.53 -0.16 -0.55 8.40 8.19 3i34X1 ALA 146 HA -0.01 0.03 0.40 -0.75 4.34 4.00 3i34X1 ALA 146 HB3 -0.02 0.01 0.09 -0.04 1.41 1.46 3i34X1 ARG 147 H -0.03 0.54 -0.16 -0.55 8.46 8.26 3i34X1 ARG 147 HA -0.02 0.03 0.43 -0.75 4.34 4.02 3i34X1 ARG 147 HB2 -0.03 0.08 0.15 -0.04 1.90 2.05 3i34X1 ARG 147 HB3 -0.03 -0.02 -0.03 -0.04 1.80 1.68 3i34X1 ARG 147 HG2 -0.02 -0.03 0.02 -0.04 1.67 1.60 3i34X1 ARG 147 HG3 -0.03 0.22 0.06 -0.04 1.67 1.88 3i34X1 ARG 147 HD2 -0.02 0.01 -0.02 -0.04 3.22 3.14 3i34X1 ARG 147 HD3 -0.02 -0.04 -0.04 -0.04 3.22 3.07 3i34X1 LEU 148 H -0.03 0.49 -0.20 -0.55 8.37 8.08 3i34X1 LEU 148 HA -0.05 0.02 0.33 -0.75 4.35 3.89 3i34X1 LEU 148 HB2 -0.04 -0.01 0.04 -0.04 1.64 1.58 3i34X1 LEU 148 HB3 -0.03 0.10 0.12 -0.04 1.64 1.80 3i34X1 LEU 148 HG -0.04 0.03 -0.27 -0.04 1.64 1.33 3i34X1 LEU 148 HD13 -0.11 0.04 -0.09 -0.04 0.93 0.73 3i34X1 LEU 148 HD23 -0.03 -0.04 -0.07 -0.04 0.89 0.70 3i34X1 GLN 149 H -0.02 0.49 -0.15 -0.55 8.47 8.25 3i34X1 GLN 149 HA -0.01 0.33 0.57 -0.75 4.36 4.50 3i34X1 GLN 149 HB2 -0.00 -0.09 0.14 -0.04 2.15 2.16 3i34X1 GLN 149 HB3 -0.01 0.04 0.16 -0.04 2.02 2.17 3i34X1 GLN 149 HG2 0.01 0.22 0.06 -0.04 2.40 2.65 3i34X1 GLN 149 HG3 0.00 -0.05 -0.18 -0.04 2.39 2.12 3i34X1 GLN 149 HE21 0.02 0.16 0.07 -0.04 6.97 7.17 3i34X1 GLN 149 HE22 0.01 -0.09 -0.04 -0.04 7.69 7.53 3i34X1 SER 150 H -0.01 0.62 -0.07 -0.55 8.46 8.46 3i34X1 SER 150 HA -0.01 -0.01 0.40 -0.75 4.49 4.12 3i34X1 SER 150 HB2 -0.01 -0.07 0.07 -0.04 3.95 3.89 3i34X1 SER 150 HB3 -0.01 -0.04 0.13 -0.04 3.93 3.97 3i34X1 SER 151 H -0.02 0.46 -0.38 -0.55 8.46 7.96 3i34X1 SER 151 HA -0.02 -0.01 0.37 -0.75 4.49 4.07 3i34X1 SER 151 HB2 -0.04 -0.01 0.13 -0.04 3.95 3.98 3i34X1 SER 151 HB3 -0.04 0.01 0.10 -0.04 3.93 3.96 3i34X1 GLY 152 H -0.01 0.45 -0.44 -0.55 8.43 7.88 3i34X1 GLY 152 HA2 -0.00 -0.07 0.24 -0.51 4.01 3.67 3i34X1 GLY 152 HA3 -0.01 0.15 0.87 -0.51 4.01 4.51 3i34X1 VAL 153 H -0.01 0.34 0.16 -0.55 8.24 8.19 3i34X1 VAL 153 HA 0.02 0.26 0.87 -0.75 4.13 4.53 3i34X1 VAL 153 HB -0.02 0.07 -0.16 -0.04 2.12 1.97 3i34X1 VAL 153 HG13 0.02 -0.04 -0.50 -0.04 0.97 0.40 3i34X1 VAL 153 HG23 -0.04 -0.00 -0.31 -0.04 0.95 0.55 3i34X1 MET 154 H 0.03 0.64 0.36 -0.55 8.47 8.96 3i34X1 MET 154 HA 0.02 0.18 0.76 -0.75 4.52 4.73 3i34X1 MET 154 HB2 0.03 -0.01 0.21 -0.04 2.15 2.33 3i34X1 MET 154 HB3 0.04 -0.07 0.26 -0.04 2.03 2.22 3i34X1 MET 154 HG2 0.03 0.05 0.07 -0.04 2.63 2.74 3i34X1 MET 154 HG3 0.04 -0.02 -0.04 -0.04 2.56 2.50 3i34X1 MET 154 HE3 0.05 -0.01 -0.19 -0.04 2.10 1.90 3i34X1 VAL 155 H 0.02 0.26 0.24 -0.55 8.24 8.21 3i34X1 VAL 155 HA 0.03 0.16 0.85 -0.75 4.13 4.41 3i34X1 VAL 155 HB 0.01 -0.02 0.18 -0.04 2.12 2.25 3i34X1 VAL 155 HG13 0.01 -0.03 -0.18 -0.04 0.97 0.73 3i34X1 VAL 155 HG23 -0.00 0.08 -0.14 -0.04 0.95 0.84 3i34X1 ALA 156 H 0.03 0.74 0.40 -0.55 8.40 9.03 3i34X1 ALA 156 HA 0.03 0.29 0.99 -0.75 4.34 4.90 3i34X1 ALA 156 HB3 0.04 -0.01 0.03 -0.04 1.41 1.42 3i34X1 VAL 157 H 0.02 0.83 0.32 -0.55 8.24 8.86 3i34X1 VAL 157 HA 0.03 0.15 1.09 -0.75 4.13 4.65 3i34X1 VAL 157 HB 0.02 0.00 0.04 -0.04 2.12 2.15 3i34X1 VAL 157 HG13 0.01 -0.01 -0.29 -0.04 0.97 0.64 3i34X1 VAL 157 HG23 0.01 0.04 -0.39 -0.04 0.95 0.58 3i34X1 ALA 158 H 0.04 0.42 0.32 -0.55 8.40 8.63 3i34X1 ALA 158 HA 0.02 0.17 0.57 -0.75 4.34 4.35 3i34X1 ALA 158 HB3 0.04 -0.05 -0.04 -0.04 1.41 1.32 3i34X1 ALA 159 H -0.02 0.60 0.33 -0.55 8.40 8.77 3i34X1 ALA 159 HA -0.02 0.12 0.47 -0.75 4.34 4.16 3i34X1 ALA 159 HB3 -0.07 -0.02 -0.09 -0.04 1.41 1.18 3i34X1 GLY 160 H -0.01 -0.06 -0.16 -0.55 8.43 7.66 3i34X1 GLY 160 HA2 -0.08 0.01 0.22 -0.51 4.01 3.65 3i34X1 GLY 160 HA3 -0.23 0.26 0.75 -0.51 4.01 4.28 3i34X1 ASN 161 H -0.11 0.21 0.05 -0.55 8.53 8.14 3i34X1 ASN 161 HA 0.19 0.28 0.80 -0.75 4.76 5.28 3i34X1 ASN 161 HB2 -0.08 0.07 0.14 -0.04 2.88 2.97 3i34X1 ASN 161 HB3 -0.07 0.06 0.19 -0.04 2.79 2.92 3i34X1 ASN 161 HD21 -0.17 -0.13 0.09 -0.04 7.03 6.79 3i34X1 ASN 161 HD22 -0.18 0.15 0.06 -0.04 7.74 7.73 3i34X1 ASN 162 H -0.12 0.09 -0.26 -0.55 8.53 7.70 3i34X1 ASN 162 HA 0.01 0.21 0.68 -0.75 4.76 4.90 3i34X1 ASN 162 HB2 -0.16 -0.02 -0.13 -0.04 2.88 2.53 3i34X1 ASN 162 HB3 0.02 0.06 0.03 -0.04 2.79 2.86 3i34X1 ASN 162 HD21 -0.07 -0.02 -0.11 -0.04 7.03 6.79 3i34X1 ASN 162 HD22 0.00 0.09 -0.09 -0.04 7.74 7.70 3i34X1 ASN 163 H 0.07 0.41 -0.37 -0.55 8.53 8.10 3i34X1 ASN 163 HA 0.16 0.27 -0.09 -0.75 4.76 4.34 3i34X1 ASN 163 HB2 0.12 0.03 -0.01 -0.04 2.88 2.98 3i34X1 ASN 163 HB3 0.11 0.06 0.04 -0.04 2.79 2.95 3i34X1 ASN 163 HD21 0.09 -0.05 0.04 -0.04 7.03 7.07 3i34X1 ASN 163 HD22 0.09 -0.05 0.05 -0.04 7.74 7.79 3i34X1 ALA 164 H -0.15 0.03 -0.21 -0.55 8.40 7.52 3i34X1 ALA 164 HA -0.10 0.21 0.71 -0.75 4.34 4.41 3i34X1 ALA 164 HB3 0.06 0.02 -0.16 -0.04 1.41 1.29 3i34X1 ASP 165 H -0.13 0.17 0.10 -0.55 8.40 7.99 3i34X1 ASP 165 HA -0.40 0.21 0.53 -0.75 4.63 4.22 3i34X1 ASP 165 HB2 0.02 0.07 0.12 -0.04 2.71 2.89 3i34X1 ASP 165 HB3 0.01 -0.02 0.16 -0.04 2.70 2.81 3i34X1 ALA 166 H -0.08 0.79 0.39 -0.55 8.40 8.96 3i34X1 ALA 166 HA 0.24 0.06 0.35 -0.75 4.34 4.22 3i34X1 ALA 166 HB3 0.01 0.01 0.03 -0.04 1.41 1.42 3i34X1 ARG 167 H 0.05 0.03 -0.45 -0.55 8.46 7.53 3i34X1 ARG 167 HA 0.06 0.13 0.40 -0.75 4.34 4.18 3i34X1 ARG 167 HB2 -0.01 0.06 0.09 -0.04 1.90 2.00 3i34X1 ARG 167 HB3 0.03 -0.06 0.09 -0.04 1.80 1.82 3i34X1 ARG 167 HG2 0.01 -0.06 -0.02 -0.04 1.67 1.57 3i34X1 ARG 167 HG3 -0.02 0.06 -0.20 -0.04 1.67 1.48 3i34X1 ARG 167 HD2 -0.03 0.00 -0.05 -0.04 3.22 3.11 3i34X1 ARG 167 HD3 -0.06 0.01 -0.08 -0.04 3.22 3.05 3i34X1 ASN 168 H 0.05 0.30 -0.42 -0.55 8.53 7.92 3i34X1 ASN 168 HA -0.09 0.14 0.67 -0.75 4.76 4.73 3i34X1 ASN 168 HB2 -0.25 0.12 0.07 -0.04 2.88 2.78 3i34X1 ASN 168 HB3 -0.39 -0.07 0.19 -0.04 2.79 2.48 3i34X1 ASN 168 HD21 -0.05 0.01 -0.01 -0.04 7.03 6.95 3i34X1 ASN 168 HD22 -0.04 0.03 0.03 -0.04 7.74 7.72 3i34X1 TYR 169 H 0.17 0.56 -0.34 -0.55 8.29 8.12 3i34X1 TYR 169 HA 0.09 0.15 0.91 -0.75 4.56 4.96 3i34X1 TYR 169 HB2 0.03 0.10 0.04 -0.04 3.06 3.19 3i34X1 TYR 169 HB3 0.05 0.01 0.05 -0.04 2.98 3.04 3i34X1 TYR 169 HD2 0.02 0.00 -0.20 -0.04 7.15 6.93 3i34X1 TYR 169 HE2 -0.00 0.01 -0.16 -0.04 6.85 6.65 3i34X1 SER 170 H 0.17 0.69 0.15 -0.55 8.46 8.93 3i34X1 SER 170 HA 0.01 0.01 0.80 -0.75 4.49 4.56 3i34X1 SER 170 HB2 -0.16 0.18 0.02 -0.04 3.95 3.95 3i34X1 SER 170 HB3 -0.23 -0.01 -0.02 -0.04 3.93 3.63 3i34X1 PRO 171 HA -0.06 -0.02 0.26 -0.51 4.44 4.11 3i34X1 PRO 171 HB2 -0.02 0.10 0.03 -0.04 2.28 2.35 3i34X1 PRO 171 HB3 -0.06 0.03 -0.03 -0.04 2.02 1.92 3i34X1 PRO 171 HG2 0.01 0.11 -0.04 -0.04 2.03 2.07 3i34X1 PRO 171 HG3 -0.00 0.02 0.00 -0.04 2.03 2.01 3i34X1 PRO 171 HD2 0.04 0.27 0.29 -0.04 3.68 4.24 3i34X1 PRO 171 HD3 0.00 0.02 0.13 -0.04 3.65 3.75 3i34X1 ALA 172 H 0.06 0.07 -0.27 -0.55 8.40 7.72 3i34X1 ALA 172 HA 0.03 0.07 0.18 -0.75 4.34 3.87 3i34X1 ALA 172 HB3 0.07 0.04 -0.00 -0.04 1.41 1.47 3i34X1 SER 173 H 0.08 0.22 -0.17 -0.55 8.46 8.05 3i34X1 SER 173 HA 0.07 0.08 0.35 -0.75 4.49 4.24 3i34X1 SER 173 HB2 0.15 -0.07 0.17 -0.04 3.95 4.16 3i34X1 SER 173 HB3 0.15 0.09 0.15 -0.04 3.93 4.29 3i34X1 GLU 174 H 0.02 0.41 -0.41 -0.55 8.60 8.08 3i34X1 GLU 174 HA 0.03 0.05 0.57 -0.75 4.29 4.19 3i34X1 GLU 174 HB2 -0.02 -0.17 0.14 -0.04 2.09 1.99 3i34X1 GLU 174 HB3 -0.00 0.19 0.14 -0.04 1.99 2.27 3i34X1 GLU 174 HG2 -0.02 0.03 -0.03 -0.04 2.34 2.28 3i34X1 GLU 174 HG3 0.00 -0.15 -0.22 -0.04 2.34 1.93 3i34X1 PRO 175 HA 0.02 0.19 0.39 -0.51 4.44 4.53 3i34X1 PRO 175 HB2 0.02 -0.01 0.03 -0.04 2.28 2.28 3i34X1 PRO 175 HB3 0.02 0.04 0.11 -0.04 2.02 2.15 3i34X1 PRO 175 HG2 0.03 -0.02 0.11 -0.04 2.03 2.10 3i34X1 PRO 175 HG3 0.03 0.08 0.12 -0.04 2.03 2.22 3i34X1 PRO 175 HD2 0.02 -0.01 0.22 -0.04 3.68 3.87 3i34X1 PRO 175 HD3 0.05 0.22 0.37 -0.04 3.65 4.25 3i34X1 SER 176 H 0.01 -0.01 -0.23 -0.55 8.46 7.68 3i34X1 SER 176 HA 0.01 0.16 0.35 -0.75 4.49 4.26 3i34X1 SER 176 HB2 0.01 0.05 0.13 -0.04 3.95 4.09 3i34X1 SER 176 HB3 0.01 -0.05 0.06 -0.04 3.93 3.91 3i34X1 VAL 177 H 0.01 0.20 -0.39 -0.55 8.24 7.51 3i34X1 VAL 177 HA 0.01 0.18 0.94 -0.75 4.13 4.51 3i34X1 VAL 177 HB 0.01 0.02 0.01 -0.04 2.12 2.11 3i34X1 VAL 177 HG13 -0.00 -0.05 -0.20 -0.04 0.97 0.67 3i34X1 VAL 177 HG23 0.01 -0.00 -0.23 -0.04 0.95 0.68 3i34X1 CYS 178 H 0.02 0.66 0.30 -0.55 8.50 8.93 3i34X1 CYS 178 HA 0.02 0.15 0.67 -0.75 4.58 4.67 3i34X1 CYS 178 HB2 0.03 0.02 0.12 -0.04 2.97 3.11 3i34X1 CYS 178 HB3 0.03 -0.12 0.22 -0.04 2.97 3.06 3i34X1 THR 179 H 0.00 0.29 0.25 -0.55 8.28 8.28 3i34X1 THR 179 HA -0.01 0.18 0.75 -0.75 4.39 4.56 3i34X1 THR 179 HB -0.01 0.09 0.22 -0.04 4.32 4.57 3i34X1 THR 179 HG23 -0.02 -0.05 -0.24 -0.04 1.22 0.87 3i34X1 VAL 180 H -0.03 0.55 0.31 -0.55 8.24 8.52 3i34X1 VAL 180 HA -0.12 0.37 0.79 -0.75 4.13 4.42 3i34X1 VAL 180 HB 0.00 -0.13 0.04 -0.04 2.12 2.00 3i34X1 VAL 180 HG13 0.01 0.04 -0.38 -0.04 0.97 0.60 3i34X1 VAL 180 HG23 0.01 0.05 -0.20 -0.04 0.95 0.78 3i34X1 GLY 181 H -0.51 0.71 0.48 -0.55 8.43 8.56 3i34X1 GLY 181 HA2 -0.17 -0.02 0.87 -0.51 4.01 4.18 3i34X1 GLY 181 HA3 -0.91 0.15 0.43 -0.51 4.01 3.18 3i34X1 ALA 182 H 0.14 0.18 0.27 -0.55 8.40 8.43 3i34X1 ALA 182 HA 0.18 0.47 1.06 -0.75 4.34 5.29 3i34X1 ALA 182 HB3 0.18 -0.06 -0.02 -0.04 1.41 1.47 3i34X1 SER 183 H 0.20 0.54 0.34 -0.55 8.46 9.00 3i34X1 SER 183 HA 0.06 0.15 0.98 -0.75 4.49 4.93 3i34X1 SER 183 HB2 0.06 0.05 -0.07 -0.04 3.95 3.96 3i34X1 SER 183 HB3 0.08 0.03 -0.21 -0.04 3.93 3.79 3i34X1 ASP 184 H 0.01 0.65 0.21 -0.55 8.40 8.71 3i34X1 ASP 184 HA 0.12 0.15 1.02 -0.75 4.63 5.17 3i34X1 ASP 184 HB2 -0.12 -0.01 0.18 -0.04 2.71 2.72 3i34X1 ASP 184 HB3 -0.01 -0.02 -0.02 -0.04 2.70 2.62 3i34X1 ARG 185 H -0.91 0.19 0.16 -0.55 8.46 7.36 3i34X1 ARG 185 HA -1.79 0.15 0.30 -0.75 4.34 2.25 3i34X1 ARG 185 HB2 -2.89 0.04 0.13 -0.04 1.90 -0.86 3i34X1 ARG 185 HB3 -1.27 -0.03 0.13 -0.04 1.80 0.60 3i34X1 ARG 185 HG2 -0.90 0.02 0.04 -0.04 1.67 0.79 3i34X1 ARG 185 HG3 -0.68 0.03 0.10 -0.04 1.67 1.08 3i34X1 ARG 185 HD2 -0.97 0.01 -0.05 -0.04 3.22 2.17 3i34X1 ARG 185 HD3 -0.41 0.05 0.01 -0.04 3.22 2.82 3i34X1 TYR 186 H -0.32 -0.06 -0.44 -0.55 8.29 6.91 3i34X1 TYR 186 HA -0.15 0.27 0.79 -0.75 4.56 4.71 3i34X1 TYR 186 HB2 -0.14 -0.08 0.00 -0.04 3.06 2.80 3i34X1 TYR 186 HB3 -0.11 0.09 0.12 -0.04 2.98 3.04 3i34X1 TYR 186 HD2 -0.14 0.01 -0.03 -0.04 7.15 6.95 3i34X1 TYR 186 HE2 -0.12 0.02 -0.04 -0.04 6.85 6.67 3i34X1 ASP 187 H -0.14 0.43 -0.26 -0.55 8.40 7.88 3i34X1 ASP 187 HA -0.02 0.05 0.22 -0.75 4.63 4.12 3i34X1 ASP 187 HB2 -0.02 0.17 -0.22 -0.04 2.71 2.60 3i34X1 ASP 187 HB3 -0.03 0.09 0.16 -0.04 2.70 2.88 3i34X1 ARG 188 H -0.03 -0.11 -0.32 -0.55 8.46 7.44 3i34X1 ARG 188 HA -0.07 0.14 0.86 -0.75 4.34 4.52 3i34X1 ARG 188 HB2 -0.03 -0.17 -0.08 -0.04 1.90 1.58 3i34X1 ARG 188 HB3 -0.05 0.15 -0.05 -0.04 1.80 1.80 3i34X1 ARG 188 HG2 -0.04 0.06 -0.11 -0.04 1.67 1.55 3i34X1 ARG 188 HG3 0.01 0.03 -0.28 -0.04 1.67 1.38 3i34X1 ARG 188 HD2 -0.04 0.03 -0.06 -0.04 3.22 3.11 3i34X1 ARG 188 HD3 -0.05 0.05 -0.06 -0.04 3.22 3.12 3i34X1 ARG 189 H -0.12 0.68 0.13 -0.55 8.46 8.60 3i34X1 ARG 189 HA -0.10 0.04 0.64 -0.75 4.34 4.16 3i34X1 ARG 189 HB2 -0.18 0.02 -0.01 -0.04 1.90 1.69 3i34X1 ARG 189 HB3 -0.07 0.03 0.09 -0.04 1.80 1.81 3i34X1 ARG 189 HG2 0.01 0.17 -0.20 -0.04 1.67 1.61 3i34X1 ARG 189 HG3 0.18 -0.06 0.10 -0.04 1.67 1.85 3i34X1 ARG 189 HD2 0.26 0.04 -0.08 -0.04 3.22 3.41 3i34X1 ARG 189 HD3 0.10 -0.07 0.02 -0.04 3.22 3.24 3i34X1 SER 190 H -0.05 0.57 0.28 -0.55 8.46 8.71 3i34X1 SER 190 HA -0.20 -0.00 0.36 -0.75 4.49 3.90 3i34X1 SER 190 HB2 -0.67 -0.03 -0.01 -0.04 3.95 3.19 3i34X1 SER 190 HB3 -1.23 -0.09 -0.08 -0.04 3.93 2.48 3i34X1 SER 191 H -0.22 0.08 0.12 -0.55 8.46 7.90 3i34X1 SER 191 HA -0.07 0.22 0.18 -0.75 4.49 4.07 3i34X1 SER 191 HB2 0.02 0.06 0.05 -0.04 3.95 4.04 3i34X1 SER 191 HB3 -0.02 0.04 0.10 -0.04 3.93 4.00 3i34X1 PHE 192 H -0.73 -0.08 -0.36 -0.55 8.34 6.61 3i34X1 PHE 192 HA 0.04 0.25 0.57 -0.75 4.62 4.73 3i34X1 PHE 192 HB2 0.01 0.05 0.05 -0.04 3.15 3.22 3i34X1 PHE 192 HB3 0.02 0.05 -0.01 -0.04 3.06 3.08 3i34X1 PHE 192 HD2 0.03 0.02 -0.24 -0.04 7.28 7.05 3i34X1 PHE 192 HE2 0.05 -0.05 -0.16 -0.04 7.38 7.18 3i34X1 PHE 192 HZ 0.08 0.10 -0.21 -0.04 7.32 7.25 3i34X1 SER 193 H -0.30 0.52 -0.33 -0.55 8.46 7.80 3i34X1 SER 193 HA 0.17 -0.07 0.39 -0.75 4.49 4.23 3i34X1 SER 193 HB2 -0.09 -0.17 0.21 -0.04 3.95 3.86 3i34X1 SER 193 HB3 0.09 0.21 0.17 -0.04 3.93 4.36 3i34X1 ASN 194 H 0.04 0.48 0.32 -0.55 8.53 8.81 3i34X1 ASN 194 HA -0.13 -0.01 0.66 -0.75 4.76 4.52 3i34X1 ASN 194 HB2 -0.09 -0.06 -0.16 -0.04 2.88 2.53 3i34X1 ASN 194 HB3 -0.14 0.03 0.08 -0.04 2.79 2.72 3i34X1 ASN 194 HD21 -0.84 -0.11 -0.14 -0.04 7.03 5.90 3i34X1 ASN 194 HD22 -0.32 0.50 0.04 -0.04 7.74 7.92 3i34X1 TYR 195 H -0.51 0.46 0.28 -0.55 8.29 7.97 3i34X1 TYR 195 HA 0.08 0.18 0.66 -0.75 4.56 4.73 3i34X1 TYR 195 HB2 0.12 -0.10 0.12 -0.04 3.06 3.16 3i34X1 TYR 195 HB3 0.15 0.16 -0.13 -0.04 2.98 3.12 3i34X1 TYR 195 HD2 0.07 0.11 -0.26 -0.04 7.15 7.03 3i34X1 TYR 195 HE2 0.06 0.07 -0.30 -0.04 6.85 6.63 3i34X1 GLY 196 H 0.31 0.24 0.10 -0.55 8.43 8.53 3i34X1 GLY 196 HA2 0.21 0.12 0.27 -0.51 4.01 4.10 3i34X1 GLY 196 HA3 0.10 0.02 0.92 -0.51 4.01 4.54 3i34X1 SER 197 H 0.08 0.10 0.15 -0.55 8.46 8.24 3i34X1 SER 197 HA 0.05 0.23 0.44 -0.75 4.49 4.46 3i34X1 SER 197 HB2 0.03 0.08 0.10 -0.04 3.95 4.12 3i34X1 SER 197 HB3 0.04 0.01 0.16 -0.04 3.93 4.10 3i34X1 VAL 198 H 0.04 -0.11 -0.34 -0.55 8.24 7.29 3i34X1 VAL 198 HA 0.03 0.19 0.39 -0.75 4.13 3.98 3i34X1 VAL 198 HB 0.04 -0.11 -0.02 -0.04 2.12 1.99 3i34X1 VAL 198 HG13 0.04 -0.03 -0.38 -0.04 0.97 0.55 3i34X1 VAL 198 HG23 0.04 -0.01 -0.04 -0.04 0.95 0.90 3i34X1 LEU 199 H 0.03 0.18 -0.40 -0.55 8.37 7.63 3i34X1 LEU 199 HA -0.04 0.04 0.54 -0.75 4.35 4.14 3i34X1 LEU 199 HB2 0.02 0.11 0.05 -0.04 1.64 1.78 3i34X1 LEU 199 HB3 -0.11 -0.00 -0.11 -0.04 1.64 1.38 3i34X1 LEU 199 HG -0.18 0.00 -0.18 -0.04 1.64 1.24 3i34X1 LEU 199 HD13 -0.02 -0.05 -0.35 -0.04 0.93 0.46 3i34X1 LEU 199 HD23 -0.40 0.00 -0.01 -0.04 0.89 0.44 3i34X1 ASP 200 H -0.04 0.51 0.41 -0.55 8.40 8.74 3i34X1 ASP 200 HA 0.02 0.21 0.90 -0.75 4.63 5.01 3i34X1 ASP 200 HB2 0.01 -0.06 0.13 -0.04 2.71 2.75 3i34X1 ASP 200 HB3 0.03 -0.02 0.05 -0.04 2.70 2.72 3i34X1 ILE 201 H -0.08 0.28 0.27 -0.55 8.25 8.18 3i34X1 ILE 201 HA 0.11 0.16 0.65 -0.75 4.18 4.35 3i34X1 ILE 201 HB 0.05 0.13 -0.48 -0.04 1.89 1.54 3i34X1 ILE 201 HG12 0.08 -0.05 -0.16 -0.04 1.49 1.32 3i34X1 ILE 201 HG13 0.10 0.12 -0.05 -0.04 1.21 1.35 3i34X1 ILE 201 HG23 0.01 -0.03 -0.29 -0.04 0.93 0.59 3i34X1 ILE 201 HD13 0.10 0.02 -0.27 -0.04 0.88 0.69 3i34X1 PHE 202 H 0.28 0.62 0.30 -0.55 8.34 8.97 3i34X1 PHE 202 HA 0.04 0.13 0.91 -0.75 4.62 4.95 3i34X1 PHE 202 HB2 0.03 0.20 0.08 -0.04 3.15 3.42 3i34X1 PHE 202 HB3 0.04 -0.06 -0.19 -0.04 3.06 2.81 3i34X1 PHE 202 HD2 0.03 -0.01 -0.35 -0.04 7.28 6.91 3i34X1 PHE 202 HE2 0.03 0.11 -0.02 -0.04 7.38 7.47 3i34X1 PHE 202 HZ 0.07 -0.00 0.01 -0.04 7.32 7.35 3i34X1 GLY 203 H 0.13 0.62 0.29 -0.55 8.43 8.92 3i34X1 GLY 203 HA2 0.04 0.20 0.65 -0.51 4.01 4.39 3i34X1 GLY 203 HA3 0.02 0.10 0.34 -0.51 4.01 3.96 3i34X1 PRO 204 HA 0.09 0.03 0.50 -0.51 4.44 4.55 3i34X1 PRO 204 HB2 -1.29 0.03 0.06 -0.04 2.28 1.04 3i34X1 PRO 204 HB3 -1.63 -0.02 0.02 -0.04 2.02 0.35 3i34X1 PRO 204 HG2 -0.73 0.24 0.14 -0.04 2.03 1.63 3i34X1 PRO 204 HG3 -0.31 0.07 0.04 -0.04 2.03 1.78 3i34X1 PRO 204 HD2 -0.63 0.13 0.19 -0.04 3.68 3.33 3i34X1 PRO 204 HD3 -0.16 0.22 0.17 -0.04 3.65 3.84 3i34X1 GLY 205 H 0.27 0.58 0.45 -0.55 8.43 9.18 3i34X1 GLY 205 HA2 0.18 0.19 0.81 -0.51 4.01 4.67 3i34X1 GLY 205 HA3 0.24 -0.08 0.29 -0.51 4.01 3.96 3i34X1 THR 206 H 0.47 0.32 0.25 -0.55 8.28 8.77 3i34X1 THR 206 HA 0.35 0.05 0.97 -0.75 4.39 5.01 3i34X1 THR 206 HB 0.20 -0.05 0.18 -0.04 4.32 4.60 3i34X1 THR 206 HG23 0.16 0.02 -0.09 -0.04 1.22 1.27 3i34X1 SER 207 H 0.20 0.09 -0.01 -0.55 8.46 8.20 3i34X1 SER 207 HA 0.15 0.02 0.15 -0.75 4.49 4.05 3i34X1 SER 207 HB2 0.24 0.10 -0.11 -0.04 3.95 4.13 3i34X1 SER 207 HB3 0.18 0.03 0.12 -0.04 3.93 4.22 3i34X1 ILE 208 H 0.17 0.59 0.05 -0.55 8.25 8.50 3i34X1 ILE 208 HA 0.05 0.09 0.75 -0.75 4.18 4.31 3i34X1 ILE 208 HB 0.23 0.00 0.06 -0.04 1.89 2.14 3i34X1 ILE 208 HG12 0.19 -0.14 -0.60 -0.04 1.49 0.90 3i34X1 ILE 208 HG13 0.15 0.13 -0.31 -0.04 1.21 1.14 3i34X1 ILE 208 HG23 0.07 0.03 -0.21 -0.04 0.93 0.78 3i34X1 ILE 208 HD13 -0.20 -0.00 -0.43 -0.04 0.88 0.20 3i34X1 LEU 209 H 0.04 0.13 0.17 -0.55 8.37 8.16 3i34X1 LEU 209 HA 0.01 0.16 0.62 -0.75 4.35 4.39 3i34X1 LEU 209 HB2 0.05 -0.03 0.04 -0.04 1.64 1.66 3i34X1 LEU 209 HB3 0.05 -0.01 0.15 -0.04 1.64 1.80 3i34X1 LEU 209 HG -0.33 0.03 -0.26 -0.04 1.64 1.04 3i34X1 LEU 209 HD13 -0.10 -0.00 -0.17 -0.04 0.93 0.61 3i34X1 LEU 209 HD23 0.15 0.01 -0.07 -0.04 0.89 0.94 3i34X1 SER 210 H -0.22 0.56 0.36 -0.55 8.46 8.62 3i34X1 SER 210 HA -0.69 0.09 0.40 -0.75 4.49 3.53 3i34X1 SER 210 HB2 -0.57 0.12 -0.26 -0.04 3.95 3.20 3i34X1 SER 210 HB3 -1.77 -0.02 -0.00 -0.04 3.93 2.10 3i34X1 THR 211 H -0.35 0.10 0.14 -0.55 8.28 7.62 3i34X1 THR 211 HA -0.22 0.21 0.61 -0.75 4.39 4.23 3i34X1 THR 211 HB -0.40 -0.02 -0.04 -0.04 4.32 3.82 3i34X1 THR 211 HG23 -0.80 0.01 0.03 -0.04 1.22 0.42 3i34X1 TRP 212 H 0.26 0.71 0.15 -0.55 7.97 8.55 3i34X1 TRP 212 HA 0.08 0.07 0.52 -0.75 4.62 4.53 3i34X1 TRP 212 HB2 0.05 0.04 -0.41 -0.04 3.23 2.87 3i34X1 TRP 212 HB3 0.05 0.04 -0.31 -0.04 3.23 2.97 3i34X1 TRP 212 HD1 0.03 0.17 -0.08 -0.04 7.22 7.30 3i34X1 TRP 212 HE1 0.02 0.07 -0.01 -0.04 10.20 10.24 3i34X1 TRP 212 HE3 0.19 0.22 -0.06 -0.04 7.59 7.90 3i34X1 TRP 212 HZ2 -0.00 0.11 0.01 -0.04 7.44 7.52 3i34X1 TRP 212 HZ3 -0.10 -0.01 -0.21 -0.04 7.13 6.77 3i34X1 TRP 212 HH2 -0.04 -0.03 -0.15 -0.04 7.19 6.93 3i34X1 ILE 213 H -0.82 0.10 0.07 -0.55 8.25 7.06 3i34X1 ILE 213 HA 0.01 0.01 0.48 -0.75 4.18 3.93 3i34X1 ILE 213 HB -0.08 0.02 0.07 -0.04 1.89 1.87 3i34X1 ILE 213 HG12 -0.78 -0.05 -0.08 -0.04 1.49 0.54 3i34X1 ILE 213 HG13 -0.02 0.08 -0.20 -0.04 1.21 1.03 3i34X1 ILE 213 HG23 -0.27 0.01 -0.02 -0.04 0.93 0.61 3i34X1 ILE 213 HD13 -0.10 -0.00 -0.34 -0.04 0.88 0.39 3i34X1 GLY 214 H 0.02 0.09 0.16 -0.55 8.43 8.16 3i34X1 GLY 214 HA2 0.02 0.03 0.32 -0.51 4.01 3.88 3i34X1 GLY 214 HA3 0.06 0.15 0.56 -0.51 4.01 4.27 3i34X1 GLY 215 H 0.00 -0.03 -0.06 -0.55 8.43 7.80 3i34X1 GLY 215 HA2 -0.75 -0.06 0.34 -0.51 4.01 3.03 3i34X1 GLY 215 HA3 -0.24 0.07 0.36 -0.51 4.01 3.68 3i34X1 SER 216 H 0.19 0.20 -0.41 -0.55 8.46 7.89 3i34X1 SER 216 HA 0.09 0.22 0.72 -0.75 4.49 4.77 3i34X1 SER 216 HB2 0.10 -0.05 0.12 -0.04 3.95 4.08 3i34X1 SER 216 HB3 0.11 0.08 -0.15 -0.04 3.93 3.94 3i34X1 THR 217 H 0.07 0.30 0.19 -0.55 8.28 8.29 3i34X1 THR 217 HA 0.03 0.13 0.72 -0.75 4.39 4.51 3i34X1 THR 217 HB -0.29 0.03 0.01 -0.04 4.32 4.03 3i34X1 THR 217 HG23 -0.06 -0.02 -0.27 -0.04 1.22 0.84 3i34X1 ARG 218 H -0.09 0.58 0.25 -0.55 8.46 8.65 3i34X1 ARG 218 HA -0.17 0.10 0.76 -0.75 4.34 4.27 3i34X1 ARG 218 HB2 -0.21 -0.08 -0.51 -0.04 1.90 1.06 3i34X1 ARG 218 HB3 -0.04 0.01 -0.20 -0.04 1.80 1.53 3i34X1 ARG 218 HG2 -1.24 -0.05 -0.22 -0.04 1.67 0.12 3i34X1 ARG 218 HG3 -0.52 0.05 -0.07 -0.04 1.67 1.09 3i34X1 ARG 218 HD2 -0.60 0.08 -0.07 -0.04 3.22 2.59 3i34X1 ARG 218 HD3 -1.60 -0.07 -0.20 -0.04 3.22 1.30 3i34X1 SER 219 H -0.10 0.18 0.11 -0.55 8.46 8.11 3i34X1 SER 219 HA 0.09 0.42 0.78 -0.75 4.49 5.03 3i34X1 SER 219 HB2 0.03 0.01 -0.11 -0.04 3.95 3.84 3i34X1 SER 219 HB3 -0.01 -0.01 0.07 -0.04 3.93 3.94 3i34X1 ILE 220 H -0.01 0.58 0.18 -0.55 8.25 8.46 3i34X1 ILE 220 HA -0.11 0.16 0.63 -0.75 4.18 4.10 3i34X1 ILE 220 HB -0.19 -0.05 0.14 -0.04 1.89 1.75 3i34X1 ILE 220 HG12 -1.02 0.07 -0.14 -0.04 1.49 0.35 3i34X1 ILE 220 HG13 -0.39 -0.00 -0.24 -0.04 1.21 0.53 3i34X1 ILE 220 HG23 -0.36 -0.00 -0.21 -0.04 0.93 0.32 3i34X1 ILE 220 HD13 -0.13 -0.01 -0.11 -0.04 0.88 0.59 3i34X1 SER 221 H -0.11 0.25 0.22 -0.55 8.46 8.27 3i34X1 SER 221 HA 0.10 0.33 1.09 -0.75 4.49 5.25 3i34X1 SER 221 HB2 -0.07 0.04 0.10 -0.04 3.95 3.97 3i34X1 SER 221 HB3 0.23 0.04 0.15 -0.04 3.93 4.31 3i34X1 GLY 222 H 0.19 0.77 0.37 -0.55 8.43 9.21 3i34X1 GLY 222 HA2 -0.60 0.05 0.27 -0.51 4.01 3.21 3i34X1 GLY 222 HA3 -0.18 0.12 0.73 -0.51 4.01 4.17 3i34X1 THR 223 H 0.14 0.21 0.09 -0.55 8.28 8.17 3i34X1 THR 223 HA 0.18 0.17 0.64 -0.75 4.39 4.62 3i34X1 THR 223 HB 0.06 0.17 0.26 -0.04 4.32 4.77 3i34X1 THR 223 HG23 0.17 0.03 0.13 -0.04 1.22 1.51 3i34X1 SER 224 H 0.03 0.06 -0.21 -0.55 8.46 7.80 3i34X1 SER 224 HA 0.10 0.06 0.50 -0.75 4.49 4.40 3i34X1 SER 224 HB2 0.03 0.00 0.04 -0.04 3.95 3.98 3i34X1 SER 224 HB3 -0.02 -0.01 -0.07 -0.04 3.93 3.80 3i34X1 MET 225 H 0.12 0.28 -0.51 -0.55 8.47 7.81 3i34X1 MET 225 HA 0.17 0.14 0.61 -0.75 4.52 4.69 3i34X1 MET 225 HB2 0.16 0.11 0.16 -0.04 2.15 2.54 3i34X1 MET 225 HB3 0.19 0.08 -0.06 -0.04 2.03 2.21 3i34X1 MET 225 HG2 0.13 0.14 -0.19 -0.04 2.63 2.67 3i34X1 MET 225 HG3 0.26 0.05 -0.16 -0.04 2.56 2.66 3i34X1 MET 225 HE3 0.14 0.04 -0.39 -0.04 2.10 1.85 3i34X1 ALA 226 H 0.15 0.04 -0.09 -0.55 8.40 7.96 3i34X1 ALA 226 HA 0.15 0.34 0.39 -0.75 4.34 4.46 3i34X1 ALA 226 HB3 0.10 -0.04 -0.10 -0.04 1.41 1.33 3i34X1 THR 227 H 0.10 0.35 -0.24 -0.55 8.28 7.94 3i34X1 THR 227 HA 0.06 0.05 0.19 -0.75 4.39 3.92 3i34X1 THR 227 HB 0.07 0.04 -0.07 -0.04 4.32 4.32 3i34X1 THR 227 HG23 0.04 -0.02 -0.41 -0.04 1.22 0.79 3i34X1 PRO 228 HA 0.01 -0.02 0.41 -0.51 4.44 4.33 3i34X1 PRO 228 HB2 -0.08 0.06 -0.14 -0.04 2.28 2.08 3i34X1 PRO 228 HB3 -0.00 -0.04 0.00 -0.04 2.02 1.93 3i34X1 PRO 228 HG2 -0.00 0.26 -0.05 -0.04 2.03 2.20 3i34X1 PRO 228 HG3 0.06 -0.04 0.10 -0.04 2.03 2.11 3i34X1 PRO 228 HD2 0.11 -0.14 -0.81 -0.04 3.68 2.79 3i34X1 PRO 228 HD3 0.08 0.08 -0.06 -0.04 3.65 3.70 3i34X1 HIS 229 H 0.12 0.35 -0.49 -0.55 8.41 7.84 3i34X1 HIS 229 HA -0.08 0.12 0.47 -0.75 4.63 4.39 3i34X1 HIS 229 HB2 -0.03 0.13 0.12 -0.04 3.26 3.44 3i34X1 HIS 229 HB3 -0.07 -0.00 -0.03 -0.04 3.20 3.06 3i34X1 HIS 229 HD2 -0.24 0.06 -0.13 -0.04 6.97 6.62 3i34X1 HIS 229 HE1 -0.21 -0.13 -0.10 -0.04 7.75 7.26 3i34X1 VAL 230 H 0.10 0.40 -0.18 -0.55 8.24 8.01 3i34X1 VAL 230 HA 0.08 0.08 0.42 -0.75 4.13 3.95 3i34X1 VAL 230 HB 0.06 0.09 0.05 -0.04 2.12 2.28 3i34X1 VAL 230 HG13 0.06 -0.01 -0.20 -0.04 0.97 0.78 3i34X1 VAL 230 HG23 0.07 0.01 -0.15 -0.04 0.95 0.84 3i34X1 ALA 231 H 0.04 0.52 -0.07 -0.55 8.40 8.35 3i34X1 ALA 231 HA 0.04 0.04 0.35 -0.75 4.34 4.01 3i34X1 ALA 231 HB3 0.02 -0.01 -0.05 -0.04 1.41 1.34 3i34X1 GLY 232 H -0.01 0.64 -0.20 -0.55 8.43 8.32 3i34X1 GLY 232 HA2 -0.00 0.01 0.40 -0.51 4.01 3.91 3i34X1 GLY 232 HA3 -0.03 0.16 0.35 -0.51 4.01 3.98 3i34X1 LEU 233 H 0.04 0.51 -0.31 -0.55 8.37 8.06 3i34X1 LEU 233 HA 0.08 0.03 0.36 -0.75 4.35 4.07 3i34X1 LEU 233 HB2 0.06 0.07 0.05 -0.04 1.64 1.77 3i34X1 LEU 233 HB3 0.08 0.04 0.11 -0.04 1.64 1.84 3i34X1 LEU 233 HG 0.15 -0.03 -0.28 -0.04 1.64 1.44 3i34X1 LEU 233 HD13 0.13 0.00 -0.05 -0.04 0.93 0.97 3i34X1 LEU 233 HD23 0.11 0.02 -0.17 -0.04 0.89 0.81 3i34X1 ALA 234 H 0.07 0.60 -0.23 -0.55 8.40 8.29 3i34X1 ALA 234 HA 0.08 -0.00 0.30 -0.75 4.34 3.97 3i34X1 ALA 234 HB3 0.05 0.02 0.00 -0.04 1.41 1.44 3i34X1 ALA 235 H 0.05 0.52 -0.22 -0.55 8.40 8.21 3i34X1 ALA 235 HA 0.02 0.01 0.28 -0.75 4.34 3.90 3i34X1 ALA 235 HB3 0.02 0.03 -0.02 -0.04 1.41 1.40 3i34X1 TYR 236 H 0.17 0.65 -0.21 -0.55 8.29 8.35 3i34X1 TYR 236 HA -0.01 -0.13 0.40 -0.75 4.56 4.06 3i34X1 TYR 236 HB2 0.00 0.02 -0.03 -0.04 3.06 3.00 3i34X1 TYR 236 HB3 0.02 0.18 0.14 -0.04 2.98 3.28 3i34X1 TYR 236 HD2 0.02 0.01 -0.05 -0.04 7.15 7.09 3i34X1 TYR 236 HE2 0.00 0.10 0.05 -0.04 6.85 6.97 3i34X1 LEU 237 H 0.14 0.65 -0.17 -0.55 8.37 8.45 3i34X1 LEU 237 HA -0.17 0.03 0.42 -0.75 4.35 3.87 3i34X1 LEU 237 HB2 0.02 0.07 0.04 -0.04 1.64 1.72 3i34X1 LEU 237 HB3 -0.14 -0.10 -0.07 -0.04 1.64 1.28 3i34X1 LEU 237 HG 0.31 0.13 0.00 -0.04 1.64 2.04 3i34X1 LEU 237 HD13 0.26 -0.02 -0.16 -0.04 0.93 0.97 3i34X1 LEU 237 HD23 0.21 0.00 -0.03 -0.04 0.89 1.03 3i34X1 MET 238 H -0.03 0.59 -0.22 -0.55 8.47 8.26 3i34X1 MET 238 HA -0.09 0.07 0.55 -0.75 4.52 4.30 3i34X1 MET 238 HB2 -0.02 0.03 0.07 -0.04 2.15 2.19 3i34X1 MET 238 HB3 -0.03 0.32 0.09 -0.04 2.03 2.37 3i34X1 MET 238 HG2 -0.03 -0.08 -0.19 -0.04 2.63 2.28 3i34X1 MET 238 HG3 -0.04 -0.07 -0.20 -0.04 2.56 2.21 3i34X1 MET 238 HE3 0.01 0.02 -0.07 -0.04 2.10 2.02 3i34X1 THR 239 H -0.07 0.55 -0.14 -0.55 8.28 8.07 3i34X1 THR 239 HA -0.06 0.07 0.41 -0.75 4.39 4.06 3i34X1 THR 239 HB -0.08 -0.05 -0.07 -0.04 4.32 4.08 3i34X1 THR 239 HG23 -0.03 -0.06 -0.32 -0.04 1.22 0.77 3i34X1 LEU 240 H -0.21 0.34 -0.32 -0.55 8.37 7.63 3i34X1 LEU 240 HA -0.13 0.02 0.51 -0.75 4.35 3.99 3i34X1 LEU 240 HB2 -0.23 0.09 0.15 -0.04 1.64 1.61 3i34X1 LEU 240 HB3 -0.13 -0.04 0.10 -0.04 1.64 1.53 3i34X1 LEU 240 HG -0.54 0.07 0.05 -0.04 1.64 1.17 3i34X1 LEU 240 HD13 -0.35 -0.02 0.01 -0.04 0.93 0.52 3i34X1 LEU 240 HD23 -0.13 -0.03 0.03 -0.04 0.89 0.72 3i34X1 GLY 241 H -0.10 0.41 -0.58 -0.55 8.43 7.61 3i34X1 GLY 241 HA2 -0.07 0.10 0.35 -0.51 4.01 3.88 3i34X1 GLY 241 HA3 -0.06 0.02 0.51 -0.51 4.01 3.97 3i34X1 LYS 242 H -0.16 0.44 -0.08 -0.55 8.42 8.07 3i34X1 LYS 242 HA -0.13 0.09 0.45 -0.75 4.32 3.97 3i34X1 LYS 242 HB2 -0.30 0.01 0.03 -0.04 1.87 1.57 3i34X1 LYS 242 HB3 -0.41 -0.04 0.01 -0.04 1.79 1.31 3i34X1 LYS 242 HG2 -0.08 0.06 -0.16 -0.04 1.46 1.24 3i34X1 LYS 242 HG3 -0.04 -0.01 -0.00 -0.04 1.46 1.36 3i34X1 LYS 242 HD2 0.12 -0.02 0.00 -0.04 1.69 1.75 3i34X1 LYS 242 HD3 0.01 0.01 -0.03 -0.04 1.68 1.62 3i34X1 LYS 242 HE2 0.01 0.01 -0.00 -0.04 2.99 2.97 3i34X1 LYS 242 HE3 0.07 0.02 0.00 -0.04 2.99 3.05 3i34X1 THR 243 H -0.20 0.30 -0.14 -0.55 8.28 7.69 3i34X1 THR 243 HA -0.16 0.11 0.48 -0.75 4.39 4.06 3i34X1 THR 243 HB -0.76 0.14 -0.37 -0.04 4.32 3.30 3i34X1 THR 243 HG23 -0.16 -0.00 -0.29 -0.04 1.22 0.72 3i34X1 THR 244 H -0.05 0.07 0.10 -0.55 8.28 7.85 3i34X1 THR 244 HA -0.03 0.37 0.87 -0.75 4.39 4.84 3i34X1 THR 244 HB -0.01 0.00 0.16 -0.04 4.32 4.42 3i34X1 THR 244 HG23 -0.03 0.05 -0.18 -0.04 1.22 1.03 3i34X1 ALA 245 H -0.00 0.29 0.17 -0.55 8.40 8.31 3i34X1 ALA 245 HA 0.01 0.05 0.38 -0.75 4.34 4.03 3i34X1 ALA 245 HB3 0.01 0.02 -0.10 -0.04 1.41 1.31 3i34X1 ALA 246 H 0.00 0.09 -0.18 -0.55 8.40 7.77 3i34X1 ALA 246 HA 0.01 0.18 0.40 -0.75 4.34 4.17 3i34X1 ALA 246 HB3 0.01 0.02 0.05 -0.04 1.41 1.44 3i34X1 SER 247 H 0.01 0.16 -0.39 -0.55 8.46 7.70 3i34X1 SER 247 HA 0.04 0.24 0.89 -0.75 4.49 4.91 3i34X1 SER 247 HB2 0.06 0.03 0.11 -0.04 3.95 4.11 3i34X1 SER 247 HB3 0.03 0.04 -0.07 -0.04 3.93 3.90 3i34X1 ALA 248 H 0.03 0.37 -0.10 -0.55 8.40 8.16 3i34X1 ALA 248 HA 0.08 0.05 0.19 -0.75 4.34 3.90 3i34X1 ALA 248 HB3 0.04 0.04 -0.01 -0.04 1.41 1.44 3i34X1 CYS 249 H 0.06 0.20 -0.15 -0.55 8.50 8.05 3i34X1 CYS 249 HA 0.07 0.06 0.38 -0.75 4.58 4.34 3i34X1 CYS 249 HB2 0.04 0.02 0.04 -0.04 2.97 3.03 3i34X1 CYS 249 HB3 0.04 0.05 0.00 -0.04 2.97 3.02 3i34X1 ARG 250 H 0.07 0.13 -0.23 -0.55 8.46 7.87 3i34X1 ARG 250 HA 0.05 0.06 0.41 -0.75 4.34 4.10 3i34X1 ARG 250 HB2 0.06 -0.01 0.11 -0.04 1.90 2.01 3i34X1 ARG 250 HB3 0.08 0.11 0.04 -0.04 1.80 1.99 3i34X1 ARG 250 HG2 0.04 0.01 -0.03 -0.04 1.67 1.65 3i34X1 ARG 250 HG3 0.04 -0.01 0.05 -0.04 1.67 1.71 3i34X1 ARG 250 HD2 0.03 0.01 0.02 -0.04 3.22 3.25 3i34X1 ARG 250 HD3 0.04 0.01 0.03 -0.04 3.22 3.26 3i34X1 TYR 251 H 0.19 0.53 -0.14 -0.55 8.29 8.32 3i34X1 TYR 251 HA 0.03 0.03 0.42 -0.75 4.56 4.29 3i34X1 TYR 251 HB2 0.03 -0.01 0.04 -0.04 3.06 3.08 3i34X1 TYR 251 HB3 0.03 0.02 0.06 -0.04 2.98 3.06 3i34X1 TYR 251 HD2 0.03 -0.02 -0.17 -0.04 7.15 6.95 3i34X1 TYR 251 HE2 0.03 0.02 -0.06 -0.04 6.85 6.79 3i34X1 ILE 252 H 0.19 0.63 -0.13 -0.55 8.25 8.40 3i34X1 ILE 252 HA 0.10 0.07 0.41 -0.75 4.18 4.01 3i34X1 ILE 252 HB 0.11 0.08 0.13 -0.04 1.89 2.17 3i34X1 ILE 252 HG12 0.18 -0.00 -0.08 -0.04 1.49 1.55 3i34X1 ILE 252 HG13 0.24 0.05 -0.02 -0.04 1.21 1.44 3i34X1 ILE 252 HG23 0.10 -0.03 -0.16 -0.04 0.93 0.79 3i34X1 ILE 252 HD13 0.11 -0.05 -0.16 -0.04 0.88 0.74 3i34X1 ALA 253 H 0.06 0.56 -0.15 -0.55 8.40 8.33 3i34X1 ALA 253 HA 0.05 -0.02 0.44 -0.75 4.34 4.05 3i34X1 ALA 253 HB3 0.04 0.01 0.11 -0.04 1.41 1.52 3i34X1 ASP 254 H -0.02 0.62 -0.12 -0.55 8.40 8.33 3i34X1 ASP 254 HA -0.02 -0.06 0.38 -0.75 4.63 4.18 3i34X1 ASP 254 HB2 -0.19 0.15 0.19 -0.04 2.71 2.82 3i34X1 ASP 254 HB3 -0.11 -0.07 -0.01 -0.04 2.70 2.47 3i34X1 THR 255 H -0.12 0.36 -0.41 -0.55 8.28 7.55 3i34X1 THR 255 HA -0.05 0.11 0.69 -0.75 4.39 4.38 3i34X1 THR 255 HB -0.11 -0.07 0.10 -0.04 4.32 4.20 3i34X1 THR 255 HG23 -0.58 -0.01 -0.08 -0.04 1.22 0.51 3i34X1 ALA 256 H 0.03 0.24 -0.36 -0.55 8.40 7.76 3i34X1 ALA 256 HA 0.17 0.00 0.43 -0.75 4.34 4.19 3i34X1 ALA 256 HB3 0.08 -0.01 -0.03 -0.04 1.41 1.41 3i34X1 ASN 257 H 0.10 0.46 0.24 -0.55 8.53 8.79 3i34X1 ASN 257 HA -0.03 0.09 0.75 -0.75 4.76 4.81 3i34X1 ASN 257 HB2 -0.02 -0.01 0.16 -0.04 2.88 2.96 3i34X1 ASN 257 HB3 -0.06 -0.06 -0.02 -0.04 2.79 2.60 3i34X1 ASN 257 HD21 -0.66 0.22 0.10 -0.04 7.03 6.65 3i34X1 ASN 257 HD22 -0.12 -0.01 0.01 -0.04 7.74 7.58 3i34X1 LYS 258 H -0.01 0.21 0.17 -0.55 8.42 8.23 3i34X1 LYS 258 HA 0.01 0.26 0.98 -0.75 4.32 4.81 3i34X1 LYS 258 HB2 0.00 -0.04 0.11 -0.04 1.87 1.91 3i34X1 LYS 258 HB3 0.00 -0.03 0.04 -0.04 1.79 1.76 3i34X1 LYS 258 HG2 0.02 -0.00 -0.20 -0.04 1.46 1.24 3i34X1 LYS 258 HG3 0.02 0.28 -0.15 -0.04 1.46 1.57 3i34X1 LYS 258 HD2 0.01 -0.07 0.02 -0.04 1.69 1.61 3i34X1 LYS 258 HD3 0.01 -0.10 -0.01 -0.04 1.68 1.54 3i34X1 LYS 258 HE2 0.01 -0.09 0.05 -0.04 2.99 2.91 3i34X1 LYS 258 HE3 0.02 0.07 -0.02 -0.04 2.99 3.02 3i34X1 GLY 259 H -0.01 0.60 0.29 -0.55 8.43 8.76 3i34X1 GLY 259 HA2 -0.03 -0.02 0.37 -0.51 4.01 3.82 3i34X1 GLY 259 HA3 -0.02 0.09 0.42 -0.51 4.01 3.99 3i34X1 ASP 260 H -0.03 0.06 -0.33 -0.55 8.40 7.54 3i34X1 ASP 260 HA -0.03 0.21 0.62 -0.75 4.63 4.67 3i34X1 ASP 260 HB2 -0.03 -0.03 -0.18 -0.04 2.71 2.43 3i34X1 ASP 260 HB3 -0.03 -0.00 -0.02 -0.04 2.70 2.61 3i34X1 LEU 261 H -0.08 -0.05 -0.15 -0.55 8.37 7.54 3i34X1 LEU 261 HA -0.08 0.38 0.72 -0.75 4.35 4.62 3i34X1 LEU 261 HB2 -0.23 -0.07 -0.08 -0.04 1.64 1.22 3i34X1 LEU 261 HB3 -0.25 0.02 -0.14 -0.04 1.64 1.23 3i34X1 LEU 261 HG -0.10 -0.06 -0.23 -0.04 1.64 1.20 3i34X1 LEU 261 HD13 -0.40 -0.02 -0.24 -0.04 0.93 0.23 3i34X1 LEU 261 HD23 -0.06 0.01 -0.25 -0.04 0.89 0.55 3i34X1 SER 262 H -0.09 0.56 0.40 -0.55 8.46 8.78 3i34X1 SER 262 HA -0.07 0.20 0.89 -0.75 4.49 4.76 3i34X1 SER 262 HB2 -0.05 -0.08 0.10 -0.04 3.95 3.87 3i34X1 SER 262 HB3 -0.05 0.12 0.01 -0.04 3.93 3.97 3i34X1 ASN 263 H -0.06 0.17 0.12 -0.55 8.53 8.22 3i34X1 ASN 263 HA -0.06 0.04 0.25 -0.75 4.76 4.24 3i34X1 ASN 263 HB2 -0.05 -0.05 -0.05 -0.04 2.88 2.69 3i34X1 ASN 263 HB3 -0.07 0.08 0.16 -0.04 2.79 2.92 3i34X1 ASN 263 HD21 -0.04 -0.00 0.00 -0.04 7.03 6.94 3i34X1 ASN 263 HD22 -0.05 0.03 0.01 -0.04 7.74 7.69 3i34X1 ILE 264 H -0.08 0.11 -0.36 -0.55 8.25 7.36 3i34X1 ILE 264 HA -0.09 0.17 0.70 -0.75 4.18 4.20 3i34X1 ILE 264 HB -0.08 -0.03 -0.03 -0.04 1.89 1.70 3i34X1 ILE 264 HG12 -0.20 -0.04 -0.49 -0.04 1.49 0.72 3i34X1 ILE 264 HG13 -0.23 -0.04 -0.15 -0.04 1.21 0.75 3i34X1 ILE 264 HG23 -0.02 0.03 -0.30 -0.04 0.93 0.60 3i34X1 ILE 264 HD13 -0.58 0.02 -0.13 -0.04 0.88 0.15 3i34X1 PRO 265 HA -0.05 0.01 0.37 -0.51 4.44 4.26 3i34X1 PRO 265 HB2 -0.13 -0.03 -0.11 -0.04 2.28 1.97 3i34X1 PRO 265 HB3 -0.24 0.02 0.02 -0.04 2.02 1.78 3i34X1 PRO 265 HG2 -1.16 -0.04 -0.03 -0.04 2.03 0.75 3i34X1 PRO 265 HG3 -0.50 0.08 -0.02 -0.04 2.03 1.54 3i34X1 PRO 265 HD2 -0.02 0.01 0.13 -0.04 3.68 3.76 3i34X1 PRO 265 HD3 -0.12 0.40 0.20 -0.04 3.65 4.09 3i34X1 PHE 266 H 0.15 0.07 0.13 -0.55 8.34 8.15 3i34X1 PHE 266 HA -0.01 0.07 0.42 -0.75 4.62 4.35 3i34X1 PHE 266 HB2 -0.02 0.01 0.16 -0.04 3.15 3.26 3i34X1 PHE 266 HB3 -0.01 -0.03 0.10 -0.04 3.06 3.09 3i34X1 PHE 266 HD2 0.00 -0.00 -0.06 -0.04 7.28 7.17 3i34X1 PHE 266 HE2 0.00 0.01 -0.02 -0.04 7.38 7.34 3i34X1 PHE 266 HZ 0.00 0.01 -0.01 -0.04 7.32 7.29 3i34X1 GLY 267 H -0.47 0.18 0.14 -0.55 8.43 7.73 3i34X1 GLY 267 HA2 -0.21 0.01 0.29 -0.51 4.01 3.59 3i34X1 GLY 267 HA3 -0.02 0.09 0.64 -0.51 4.01 4.22 3i34X1 THR 268 H -0.02 0.55 -0.19 -0.55 8.28 8.08 3i34X1 THR 268 HA 0.08 0.15 0.64 -0.75 4.39 4.51 3i34X1 THR 268 HB 0.10 0.15 -0.02 -0.04 4.32 4.50 3i34X1 THR 268 HG23 0.32 0.10 -0.04 -0.04 1.22 1.57 3i34X1 VAL 269 H 0.10 0.21 0.04 -0.55 8.24 8.04 3i34X1 VAL 269 HA 0.03 0.03 0.34 -0.75 4.13 3.78 3i34X1 VAL 269 HB 0.08 0.01 -0.10 -0.04 2.12 2.08 3i34X1 VAL 269 HG13 0.04 0.04 0.01 -0.04 0.97 1.02 3i34X1 VAL 269 HG23 0.17 0.01 -0.32 -0.04 0.95 0.76 3i34X1 ASN 270 H 0.02 0.18 0.05 -0.55 8.53 8.23 3i34X1 ASN 270 HA -0.06 0.15 0.76 -0.75 4.76 4.85 3i34X1 ASN 270 HB2 -0.04 0.11 0.04 -0.04 2.88 2.94 3i34X1 ASN 270 HB3 -0.03 -0.05 0.29 -0.04 2.79 2.96 3i34X1 ASN 270 HD21 -0.08 0.44 -0.05 -0.04 7.03 7.30 3i34X1 ASN 270 HD22 -0.06 0.00 -0.02 -0.04 7.74 7.63 3i34X1 LEU 271 H 0.15 0.29 -0.19 -0.55 8.37 8.08 3i34X1 LEU 271 HA 0.06 0.36 0.92 -0.75 4.35 4.93 3i34X1 LEU 271 HB2 0.14 -0.07 0.00 -0.04 1.64 1.67 3i34X1 LEU 271 HB3 0.09 0.12 -0.03 -0.04 1.64 1.78 3i34X1 LEU 271 HG 0.06 -0.28 -0.47 -0.04 1.64 0.91 3i34X1 LEU 271 HD13 0.05 0.03 -0.03 -0.04 0.93 0.95 3i34X1 LEU 271 HD23 0.03 0.08 -0.04 -0.04 0.89 0.92 3i34X1 LEU 272 H 0.07 0.73 0.24 -0.55 8.37 8.86 3i34X1 LEU 272 HA 0.15 0.12 0.94 -0.75 4.35 4.81 3i34X1 LEU 272 HB2 0.04 -0.13 -0.17 -0.04 1.64 1.34 3i34X1 LEU 272 HB3 0.04 0.04 0.07 -0.04 1.64 1.75 3i34X1 LEU 272 HG 0.08 0.27 -0.25 -0.04 1.64 1.71 3i34X1 LEU 272 HD13 0.11 -0.01 -0.22 -0.04 0.93 0.77 3i34X1 LEU 272 HD23 0.05 -0.02 -0.15 -0.04 0.89 0.73 3i34X1 ALA 273 H 0.12 0.55 0.28 -0.55 8.40 8.81 3i34X1 ALA 273 HA 0.13 0.05 0.33 -0.75 4.34 4.10 3i34X1 ALA 273 HB3 0.09 -0.03 0.05 -0.04 1.41 1.48 3i34X1 TYR 274 H 0.18 0.25 0.18 -0.55 8.29 8.34 3i34X1 TYR 274 HA 0.08 0.33 0.96 -0.75 4.56 5.18 3i34X1 TYR 274 HB2 0.06 0.07 -0.10 -0.04 3.06 3.05 3i34X1 TYR 274 HB3 0.06 0.07 0.13 -0.04 2.98 3.19 3i34X1 TYR 274 HD2 0.07 0.26 -0.06 -0.04 7.15 7.39 3i34X1 TYR 274 HE2 0.08 0.04 -0.27 -0.04 6.85 6.66 3i34X1 ASN 275 H 0.04 0.74 0.39 -0.55 8.53 9.16 3i34X1 ASN 275 HA 0.04 0.13 0.58 -0.75 4.76 4.77 3i34X1 ASN 275 HB2 0.08 -0.04 0.13 -0.04 2.88 3.01 3i34X1 ASN 275 HB3 -0.01 0.00 0.07 -0.04 2.79 2.81 3i34X1 ASN 275 HD21 0.09 0.41 0.21 -0.04 7.03 7.70 3i34X1 ASN 275 HD22 -0.25 -0.06 0.07 -0.04 7.74 7.45 3i34X1 ASN 276 H -1.67 0.10 -0.25 -0.55 8.53 6.17 3i34X1 ASN 276 HA -0.75 0.01 0.20 -0.75 4.76 3.47 3i34X1 ASN 276 HB2 -0.09 0.12 -0.17 -0.04 2.88 2.70 3i34X1 ASN 276 HB3 -0.06 -0.07 0.19 -0.04 2.79 2.81 3i34X1 ASN 276 HD21 0.06 0.68 0.09 -0.04 7.03 7.81 3i34X1 ASN 276 HD22 -0.24 0.01 -0.30 -0.04 7.74 7.17 3i34X1 TYR 277 H 0.05 0.03 -0.35 -0.55 8.29 7.47 3i34X1 TYR 277 HA 0.04 0.11 0.63 -0.75 4.56 4.60 3i34X1 TYR 277 HB2 0.13 0.02 -0.02 -0.04 3.06 3.15 3i34X1 TYR 277 HB3 0.08 0.06 -0.01 -0.04 2.98 3.08 3i34X1 TYR 277 HD2 0.10 0.02 -0.24 -0.04 7.15 6.99 3i34X1 TYR 277 HE2 -0.00 0.03 -0.12 -0.04 6.85 6.71 3i34X1 GLN 278 H -0.32 0.21 0.11 -0.55 8.47 7.93 3i34X1 ALA 279 H -0.41 0.15 -0.09 -0.55 8.40 7.51 3i34X1 ALA 279 HA -0.46 0.16 0.19 -0.75 4.34 3.47 3i34X1 ALA 279 HB3 -0.19 0.02 0.01 -0.04 1.41 1.21