============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TRP 18 1.040 17.394 -8.261 -2.421 -99.200 -91.000 TRP6 18 1.020 19.128 -6.798 -3.062 -99.200 -91.000 TYR 23 0.840 23.783 -7.887 -3.429 -99.200 -91.000 TYR 31 0.840 13.437 -2.018 0.272 -99.200 -91.000 TYR 37 0.840 0.539 -0.272 2.950 -99.200 -91.000 TRP 52 1.040 22.062 -2.819 2.135 -99.200 -91.000 TRP6 52 1.020 21.657 -2.843 -0.188 -99.200 -91.000 HIS 68 0.900 -17.790 8.783 -4.197 -99.200 -91.000 PHE 74 1.000 -33.890 6.888 -4.954 -99.200 -91.000 PHE 77 1.000 -20.194 5.963 0.696 -99.200 -91.000 PHE 85 1.000 -14.385 7.536 -0.103 -99.200 -91.000 TYR 87 0.840 -5.530 -2.703 1.150 -99.200 -91.000 TYR 93 0.840 -26.304 0.463 -0.443 -99.200 -91.000 TYR 99 0.840 -37.909 -0.702 0.922 -99.200 -91.000 TYR 107 0.840 -18.619 -6.149 3.751 -99.200 -91.000 TRP 115 1.040 -14.289 1.061 -3.673 -99.200 -91.000 TRP6 115 1.020 -14.354 1.595 -1.379 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2rlpA11 ASP 20 H -0.04 0.13 0.06 -0.55 8.40 8.01 2rlpA11 ASP 20 HA -0.07 -0.11 0.23 -0.75 4.63 3.93 2rlpA11 ASP 20 HB2 -0.02 -0.00 -0.03 -0.04 2.71 2.62 2rlpA11 ASP 20 HB3 -0.01 0.10 -0.19 -0.04 2.70 2.56 2rlpA11 CYS 21 H -0.11 0.48 0.14 -0.55 8.50 8.47 2rlpA11 CYS 21 HA -0.06 0.18 0.64 -0.75 4.58 4.59 2rlpA11 CYS 21 HB2 -0.09 0.02 0.14 -0.04 2.97 3.00 2rlpA11 CYS 21 HB3 0.02 0.15 0.02 -0.04 2.97 3.11 2rlpA11 ASN 22 H 0.06 0.25 0.22 -0.55 8.53 8.51 2rlpA11 ASN 22 HA 0.09 0.09 0.62 -0.75 4.76 4.81 2rlpA11 ASN 22 HB2 0.05 0.03 0.13 -0.04 2.88 3.04 2rlpA11 ASN 22 HB3 0.05 -0.03 0.19 -0.04 2.79 2.96 2rlpA11 ASN 22 HD21 0.02 -0.02 -0.03 -0.04 7.03 6.96 2rlpA11 ASN 22 HD22 0.03 -0.01 0.02 -0.04 7.74 7.73 2rlpA11 GLU 23 H 0.25 0.19 -0.31 -0.55 8.60 8.18 2rlpA11 GLU 23 HA 0.14 0.07 0.76 -0.75 4.29 4.51 2rlpA11 GLU 23 HB2 0.10 0.05 0.07 -0.04 2.09 2.27 2rlpA11 GLU 23 HB3 0.10 0.03 -0.17 -0.04 1.99 1.91 2rlpA11 GLU 23 HG2 0.19 -0.15 0.02 -0.04 2.34 2.37 2rlpA11 GLU 23 HG3 0.35 0.09 -0.18 -0.04 2.34 2.56 2rlpA11 LEU 24 H 0.07 0.09 0.11 -0.55 8.37 8.10 2rlpA11 LEU 24 HA -0.08 0.09 0.49 -0.75 4.35 4.09 2rlpA11 LEU 24 HB2 -0.08 -0.03 0.05 -0.04 1.64 1.53 2rlpA11 LEU 24 HB3 -0.33 0.08 0.01 -0.04 1.64 1.36 2rlpA11 LEU 24 HG 0.15 0.32 -0.03 -0.04 1.64 2.04 2rlpA11 LEU 24 HD13 0.11 -0.06 -0.17 -0.04 0.93 0.76 2rlpA11 LEU 24 HD23 0.40 -0.09 -0.17 -0.04 0.89 0.99 2rlpA11 PRO 25 HA -1.44 0.09 0.41 -0.51 4.44 2.99 2rlpA11 PRO 25 HB2 -0.93 0.06 -0.20 -0.04 2.28 1.16 2rlpA11 PRO 25 HB3 -2.25 -0.01 -0.03 -0.04 2.02 -0.30 2rlpA11 PRO 25 HG2 -1.77 -0.01 -0.04 -0.04 2.03 0.18 2rlpA11 PRO 25 HG3 -2.90 0.02 -0.06 -0.04 2.03 -0.95 2rlpA11 PRO 25 HD2 -1.30 0.04 0.13 -0.04 3.68 2.50 2rlpA11 PRO 25 HD3 -2.16 0.16 0.06 -0.04 3.65 1.66 2rlpA11 PRO 26 HA -0.17 0.07 0.49 -0.51 4.44 4.31 2rlpA11 PRO 26 HB2 -0.10 0.07 -0.05 -0.04 2.28 2.17 2rlpA11 PRO 26 HB3 -0.09 0.03 0.06 -0.04 2.02 1.98 2rlpA11 PRO 26 HG2 -0.09 -0.00 0.06 -0.04 2.03 1.95 2rlpA11 PRO 26 HG3 -0.04 0.05 0.07 -0.04 2.03 2.06 2rlpA11 PRO 26 HD2 -0.21 0.04 0.11 -0.04 3.68 3.57 2rlpA11 PRO 26 HD3 -0.20 0.15 0.19 -0.04 3.65 3.76 2rlpA11 ARG 27 H -0.13 0.14 0.15 -0.55 8.46 8.07 2rlpA11 ARG 27 HA 0.03 -0.00 0.47 -0.75 4.34 4.09 2rlpA11 ARG 27 HB2 -0.02 0.11 0.09 -0.04 1.90 2.04 2rlpA11 ARG 27 HB3 -0.06 -0.04 0.10 -0.04 1.80 1.76 2rlpA11 ARG 27 HG2 -0.07 -0.03 0.14 -0.04 1.67 1.67 2rlpA11 ARG 27 HG3 -0.05 0.05 0.02 -0.04 1.67 1.65 2rlpA11 ARG 27 HD2 -0.02 0.03 0.03 -0.04 3.22 3.22 2rlpA11 ARG 27 HD3 -0.03 -0.03 0.05 -0.04 3.22 3.17 2rlpA11 ARG 28 H -0.06 0.11 0.10 -0.55 8.46 8.05 2rlpA11 ARG 28 HA -0.15 0.16 0.28 -0.75 4.34 3.88 2rlpA11 ARG 28 HB2 -0.23 -0.14 0.12 -0.04 1.90 1.61 2rlpA11 ARG 28 HB3 -0.23 -0.13 0.18 -0.04 1.80 1.57 2rlpA11 ARG 28 HG2 -0.76 0.01 -0.03 -0.04 1.67 0.85 2rlpA11 ARG 28 HG3 -0.71 -0.03 -0.04 -0.04 1.67 0.85 2rlpA11 ARG 28 HD2 -0.25 0.05 -0.16 -0.04 3.22 2.81 2rlpA11 ARG 28 HD3 -0.49 0.12 -0.07 -0.04 3.22 2.74 2rlpA11 ASN 29 H -0.13 0.11 0.19 -0.55 8.53 8.15 2rlpA11 ASN 29 HA -0.07 0.20 0.58 -0.75 4.76 4.73 2rlpA11 ASN 29 HB2 -0.06 0.04 0.09 -0.04 2.88 2.90 2rlpA11 ASN 29 HB3 -0.07 0.03 0.10 -0.04 2.79 2.81 2rlpA11 ASN 29 HD21 -0.10 0.05 -0.16 -0.04 7.03 6.78 2rlpA11 ASN 29 HD22 -0.11 0.01 -0.02 -0.04 7.74 7.58 2rlpA11 THR 30 H -0.17 -0.05 0.02 -0.55 8.28 7.53 2rlpA11 THR 30 HA -0.21 0.27 0.74 -0.75 4.39 4.45 2rlpA11 THR 30 HB -0.74 -0.01 0.15 -0.04 4.32 3.68 2rlpA11 THR 30 HG23 -0.35 0.03 -0.10 -0.04 1.22 0.75 2rlpA11 GLU 31 H -0.13 0.10 -0.15 -0.55 8.60 7.87 2rlpA11 GLU 31 HA -0.05 0.26 1.09 -0.75 4.29 4.85 2rlpA11 GLU 31 HB2 -0.30 -0.06 -0.03 -0.04 2.09 1.66 2rlpA11 GLU 31 HB3 -0.00 0.10 0.05 -0.04 1.99 2.10 2rlpA11 GLU 31 HG2 -0.16 -0.00 -0.13 -0.04 2.34 2.01 2rlpA11 GLU 31 HG3 -0.15 0.12 -0.36 -0.04 2.34 1.92 2rlpA11 ILE 32 H 0.10 0.56 0.37 -0.55 8.25 8.74 2rlpA11 ILE 32 HA 0.09 0.05 0.69 -0.75 4.18 4.25 2rlpA11 ILE 32 HB 0.05 0.07 -0.05 -0.04 1.89 1.92 2rlpA11 ILE 32 HG12 0.02 0.09 -0.26 -0.04 1.49 1.30 2rlpA11 ILE 32 HG13 0.03 -0.06 -0.18 -0.04 1.21 0.96 2rlpA11 ILE 32 HG23 0.03 -0.01 0.10 -0.04 0.93 1.01 2rlpA11 ILE 32 HD13 0.02 0.00 -0.06 -0.04 0.88 0.80 2rlpA11 LEU 33 H 0.04 0.14 0.16 -0.55 8.37 8.16 2rlpA11 LEU 33 HA -0.24 0.17 0.57 -0.75 4.35 4.10 2rlpA11 LEU 33 HB2 0.09 -0.01 0.07 -0.04 1.64 1.75 2rlpA11 LEU 33 HB3 0.42 0.00 -0.12 -0.04 1.64 1.90 2rlpA11 LEU 33 HG -0.66 0.02 -0.11 -0.04 1.64 0.86 2rlpA11 LEU 33 HD13 -1.01 0.01 -0.21 -0.04 0.93 -0.32 2rlpA11 LEU 33 HD23 -0.17 0.00 -0.18 -0.04 0.89 0.50 2rlpA11 THR 34 H 0.02 0.56 0.16 -0.55 8.28 8.46 2rlpA11 THR 34 HA 0.01 0.11 0.60 -0.75 4.39 4.36 2rlpA11 THR 34 HB -0.01 -0.02 0.05 -0.04 4.32 4.30 2rlpA11 THR 34 HG23 0.01 -0.01 -0.14 -0.04 1.22 1.04 2rlpA11 GLY 35 H -0.06 0.32 0.01 -0.55 8.43 8.16 2rlpA11 GLY 35 HA2 -0.22 0.06 0.26 -0.51 4.01 3.60 2rlpA11 GLY 35 HA3 -0.47 0.08 0.53 -0.51 4.01 3.63 2rlpA11 SER 36 H -0.90 0.25 0.09 -0.55 8.46 7.36 2rlpA11 SER 36 HA -0.26 0.19 0.93 -0.75 4.49 4.59 2rlpA11 SER 36 HB2 -0.25 -0.00 0.11 -0.04 3.95 3.77 2rlpA11 SER 36 HB3 -0.13 0.02 0.00 -0.04 3.93 3.77 2rlpA11 TRP 37 H -0.00 0.26 -0.01 -0.55 7.97 7.67 2rlpA11 TRP 37 HA 0.07 0.16 0.93 -0.75 4.62 5.03 2rlpA11 TRP 37 HB2 -0.09 0.03 0.13 -0.04 3.23 3.26 2rlpA11 TRP 37 HB3 -0.10 0.03 0.01 -0.04 3.23 3.14 2rlpA11 TRP 37 HD1 -0.16 0.02 -0.19 -0.04 7.22 6.86 2rlpA11 TRP 37 HE1 -0.29 -0.06 -0.25 -0.04 10.20 9.57 2rlpA11 TRP 37 HE3 -0.49 -0.02 -0.03 -0.04 7.59 7.01 2rlpA11 TRP 37 HZ2 -0.30 -0.03 -0.02 -0.04 7.44 7.05 2rlpA11 TRP 37 HZ3 -1.37 0.01 -0.07 -0.04 7.13 5.66 2rlpA11 TRP 37 HH2 -0.14 0.09 -0.10 -0.04 7.19 6.99 2rlpA11 SER 38 H 0.22 0.18 -0.01 -0.55 8.46 8.30 2rlpA11 SER 38 HA 0.12 0.20 0.53 -0.75 4.49 4.58 2rlpA11 SER 38 HB2 0.07 0.02 -0.16 -0.04 3.95 3.84 2rlpA11 SER 38 HB3 0.06 -0.02 0.03 -0.04 3.93 3.97 2rlpA11 ASP 39 H 0.28 0.11 -0.01 -0.55 8.40 8.23 2rlpA11 ASP 39 HA 0.10 0.25 0.84 -0.75 4.63 5.07 2rlpA11 ASP 39 HB2 0.13 -0.04 -0.12 -0.04 2.71 2.64 2rlpA11 ASP 39 HB3 0.25 0.11 -0.09 -0.04 2.70 2.93 2rlpA11 GLN 40 H 0.09 0.01 0.08 -0.55 8.47 8.10 2rlpA11 GLN 40 HA 0.18 0.14 0.63 -0.75 4.36 4.56 2rlpA11 GLN 40 HB2 0.07 -0.07 0.07 -0.04 2.15 2.17 2rlpA11 GLN 40 HB3 0.09 0.25 -0.09 -0.04 2.02 2.23 2rlpA11 GLN 40 HG2 0.08 0.06 -0.06 -0.04 2.40 2.43 2rlpA11 GLN 40 HG3 0.07 -0.08 -0.32 -0.04 2.39 2.02 2rlpA11 GLN 40 HE21 0.05 0.06 0.05 -0.04 6.97 7.10 2rlpA11 GLN 40 HE22 0.04 -0.04 0.02 -0.04 7.69 7.67 2rlpA11 THR 41 H 0.04 -0.06 0.12 -0.55 8.28 7.82 2rlpA11 THR 41 HA 0.12 0.52 0.61 -0.75 4.39 4.89 2rlpA11 THR 41 HB 0.00 0.03 -0.06 -0.04 4.32 4.25 2rlpA11 THR 41 HG23 0.03 -0.01 -0.05 -0.04 1.22 1.15 2rlpA11 TYR 42 H 0.20 0.77 0.33 -0.55 8.29 9.04 2rlpA11 TYR 42 HA 0.12 0.16 0.74 -0.75 4.56 4.83 2rlpA11 TYR 42 HB2 0.41 0.04 0.00 -0.04 3.06 3.46 2rlpA11 TYR 42 HB3 0.24 0.04 0.01 -0.04 2.98 3.22 2rlpA11 TYR 42 HD2 0.35 0.04 -0.26 -0.04 7.15 7.24 2rlpA11 TYR 42 HE2 0.22 -0.10 -0.07 -0.04 6.85 6.86 2rlpA11 PRO 43 HA -0.00 -0.00 0.42 -0.51 4.44 4.34 2rlpA11 PRO 43 HB2 0.02 0.17 -0.03 -0.04 2.28 2.40 2rlpA11 PRO 43 HB3 0.01 0.02 0.10 -0.04 2.02 2.11 2rlpA11 PRO 43 HG2 0.11 0.03 0.01 -0.04 2.03 2.14 2rlpA11 PRO 43 HG3 0.06 0.06 0.05 -0.04 2.03 2.15 2rlpA11 PRO 43 HD2 0.30 0.11 0.22 -0.04 3.68 4.26 2rlpA11 PRO 43 HD3 0.02 0.16 0.12 -0.04 3.65 3.91 2rlpA11 GLU 44 H -0.04 0.10 0.20 -0.55 8.60 8.31 2rlpA11 GLU 44 HA -0.17 0.02 0.39 -0.75 4.29 3.79 2rlpA11 GLU 44 HB2 -0.07 0.02 0.15 -0.04 2.09 2.15 2rlpA11 GLU 44 HB3 -0.05 0.05 0.10 -0.04 1.99 2.05 2rlpA11 GLU 44 HG2 -0.09 0.22 0.11 -0.04 2.34 2.55 2rlpA11 GLU 44 HG3 -0.12 -0.29 0.04 -0.04 2.34 1.93 2rlpA11 GLY 45 H -0.13 0.82 0.35 -0.55 8.43 8.92 2rlpA11 GLY 45 HA2 -0.03 0.02 0.33 -0.51 4.01 3.81 2rlpA11 GLY 45 HA3 -0.02 0.16 0.80 -0.51 4.01 4.45 2rlpA11 THR 46 H -0.11 0.19 0.02 -0.55 8.28 7.83 2rlpA11 THR 46 HA 0.10 0.11 0.75 -0.75 4.39 4.60 2rlpA11 THR 46 HB -0.00 -0.05 0.13 -0.04 4.32 4.36 2rlpA11 THR 46 HG23 0.42 0.00 -0.12 -0.04 1.22 1.48 2rlpA11 GLN 47 H 0.14 0.19 0.26 -0.55 8.47 8.51 2rlpA11 GLN 47 HA 0.21 0.17 0.91 -0.75 4.36 4.90 2rlpA11 GLN 47 HB2 0.12 0.07 0.05 -0.04 2.15 2.35 2rlpA11 GLN 47 HB3 0.09 0.01 0.09 -0.04 2.02 2.17 2rlpA11 GLN 47 HG2 0.10 -0.04 0.18 -0.04 2.40 2.60 2rlpA11 GLN 47 HG3 0.11 -0.03 -0.09 -0.04 2.39 2.33 2rlpA11 GLN 47 HE21 0.04 -0.00 0.02 -0.04 6.97 6.99 2rlpA11 GLN 47 HE22 0.05 -0.02 0.05 -0.04 7.69 7.73 2rlpA11 ALA 48 H 0.26 0.72 0.08 -0.55 8.40 8.92 2rlpA11 ALA 48 HA 0.21 0.17 0.93 -0.75 4.34 4.90 2rlpA11 ALA 48 HB3 -0.44 -0.01 -0.05 -0.04 1.41 0.86 2rlpA11 ILE 49 H 0.08 0.24 0.07 -0.55 8.25 8.10 2rlpA11 ILE 49 HA 0.05 0.14 0.84 -0.75 4.18 4.46 2rlpA11 ILE 49 HB 0.03 0.07 0.21 -0.04 1.89 2.15 2rlpA11 ILE 49 HG12 0.06 0.02 -0.06 -0.04 1.49 1.47 2rlpA11 ILE 49 HG13 0.08 -0.02 -0.11 -0.04 1.21 1.12 2rlpA11 ILE 49 HG23 0.04 0.02 -0.09 -0.04 0.93 0.85 2rlpA11 ILE 49 HD13 0.03 0.00 0.02 -0.04 0.88 0.89 2rlpA11 TYR 50 H 0.17 0.50 0.30 -0.55 8.29 8.71 2rlpA11 TYR 50 HA 0.00 0.16 0.93 -0.75 4.56 4.90 2rlpA11 TYR 50 HB2 -0.03 0.18 0.15 -0.04 3.06 3.33 2rlpA11 TYR 50 HB3 -0.04 -0.06 0.01 -0.04 2.98 2.85 2rlpA11 TYR 50 HD2 -0.06 0.13 -0.30 -0.04 7.15 6.88 2rlpA11 TYR 50 HE2 -0.17 -0.06 -0.21 -0.04 6.85 6.36 2rlpA11 LYS 51 H 0.12 0.88 0.28 -0.55 8.42 9.15 2rlpA11 LYS 51 HA 0.05 0.12 0.78 -0.75 4.32 4.51 2rlpA11 LYS 51 HB2 0.03 0.05 -0.09 -0.04 1.87 1.82 2rlpA11 LYS 51 HB3 0.05 -0.06 -0.02 -0.04 1.79 1.72 2rlpA11 LYS 51 HG2 0.03 -0.07 -0.63 -0.04 1.46 0.75 2rlpA11 LYS 51 HG3 0.02 0.05 -0.18 -0.04 1.46 1.31 2rlpA11 LYS 51 HD2 0.01 0.00 -0.07 -0.04 1.69 1.60 2rlpA11 LYS 51 HD3 0.02 -0.02 -0.10 -0.04 1.68 1.54 2rlpA11 LYS 51 HE2 0.01 -0.02 -0.08 -0.04 2.99 2.85 2rlpA11 LYS 51 HE3 0.00 0.04 -0.07 -0.04 2.99 2.92 2rlpA11 CYS 52 H 0.04 0.21 0.04 -0.55 8.50 8.24 2rlpA11 CYS 52 HA -0.00 0.13 0.84 -0.75 4.58 4.79 2rlpA11 CYS 52 HB2 0.03 -0.08 0.01 -0.04 2.97 2.89 2rlpA11 CYS 52 HB3 0.04 0.09 0.07 -0.04 2.97 3.13 2rlpA11 ARG 53 H 0.00 0.29 0.18 -0.55 8.46 8.38 2rlpA11 ARG 53 HA 0.04 0.01 0.30 -0.75 4.34 3.93 2rlpA11 ARG 53 HB2 0.12 0.03 -0.01 -0.04 1.90 2.00 2rlpA11 ARG 53 HB3 0.12 0.05 -0.09 -0.04 1.80 1.83 2rlpA11 ARG 53 HG2 0.02 -0.04 -0.12 -0.04 1.67 1.49 2rlpA11 ARG 53 HG3 -0.02 0.04 -0.29 -0.04 1.67 1.35 2rlpA11 ARG 53 HD2 -0.04 -0.01 -0.16 -0.04 3.22 2.96 2rlpA11 ARG 53 HD3 0.04 -0.00 -0.11 -0.04 3.22 3.11 2rlpA11 PRO 54 HA -0.11 0.08 0.44 -0.51 4.44 4.34 2rlpA11 PRO 54 HB2 -0.12 -0.01 0.09 -0.04 2.28 2.20 2rlpA11 PRO 54 HB3 -0.06 0.03 0.14 -0.04 2.02 2.09 2rlpA11 PRO 54 HG2 -0.01 0.04 0.14 -0.04 2.03 2.15 2rlpA11 PRO 54 HG3 -0.01 0.03 0.10 -0.04 2.03 2.10 2rlpA11 PRO 54 HD2 0.03 0.07 0.17 -0.04 3.68 3.91 2rlpA11 PRO 54 HD3 0.00 0.12 0.16 -0.04 3.65 3.89 2rlpA11 GLY 55 H -0.28 0.30 0.33 -0.55 8.43 8.24 2rlpA11 GLY 55 HA2 -1.06 -0.03 0.35 -0.51 4.01 2.76 2rlpA11 GLY 55 HA3 -1.40 0.18 0.80 -0.51 4.01 3.07 2rlpA11 TYR 56 H -0.09 0.58 0.21 -0.55 8.29 8.43 2rlpA11 TYR 56 HA -0.06 0.15 1.05 -0.75 4.56 4.94 2rlpA11 TYR 56 HB2 -0.06 0.08 -0.07 -0.04 3.06 2.97 2rlpA11 TYR 56 HB3 -0.04 -0.08 0.03 -0.04 2.98 2.86 2rlpA11 TYR 56 HD2 -0.04 0.04 -0.48 -0.04 7.15 6.63 2rlpA11 TYR 56 HE2 0.01 -0.01 -0.12 -0.04 6.85 6.69 2rlpA11 ARG 57 H 0.12 0.87 0.43 -0.55 8.46 9.33 2rlpA11 ARG 57 HA 0.03 0.10 0.59 -0.75 4.34 4.31 2rlpA11 ARG 57 HB2 0.01 -0.11 0.07 -0.04 1.90 1.83 2rlpA11 ARG 57 HB3 -0.01 0.13 -0.10 -0.04 1.80 1.78 2rlpA11 ARG 57 HG2 0.01 0.03 -0.33 -0.04 1.67 1.34 2rlpA11 ARG 57 HG3 0.03 -0.04 -0.31 -0.04 1.67 1.31 2rlpA11 ARG 57 HD2 0.01 0.04 -0.06 -0.04 3.22 3.17 2rlpA11 ARG 57 HD3 0.01 -0.08 -0.09 -0.04 3.22 3.02 2rlpA11 SER 58 H 0.02 0.28 0.11 -0.55 8.46 8.32 2rlpA11 SER 58 HA 0.02 0.09 0.43 -0.75 4.49 4.27 2rlpA11 SER 58 HB2 0.02 0.45 0.22 -0.04 3.95 4.60 2rlpA11 SER 58 HB3 0.02 -0.17 -0.01 -0.04 3.93 3.73 2rlpA11 LEU 59 H 0.02 0.24 0.08 -0.55 8.37 8.15 2rlpA11 LEU 59 HA 0.01 0.13 0.64 -0.75 4.35 4.38 2rlpA11 LEU 59 HB2 0.01 -0.00 0.24 -0.04 1.64 1.86 2rlpA11 LEU 59 HB3 0.01 0.05 0.17 -0.04 1.64 1.83 2rlpA11 LEU 59 HG 0.01 0.03 0.05 -0.04 1.64 1.70 2rlpA11 LEU 59 HD13 0.01 0.01 -0.00 -0.04 0.93 0.91 2rlpA11 LEU 59 HD23 0.01 -0.02 -0.01 -0.04 0.89 0.83 2rlpA11 GLY 60 H 0.02 0.47 0.18 -0.55 8.43 8.54 2rlpA11 GLY 60 HA2 0.02 0.01 0.31 -0.51 4.01 3.84 2rlpA11 GLY 60 HA3 0.02 0.14 0.65 -0.51 4.01 4.32 2rlpA11 ASN 61 H 0.02 0.02 -0.25 -0.55 8.53 7.78 2rlpA11 ASN 61 HA 0.03 -0.04 0.25 -0.75 4.76 4.24 2rlpA11 ASN 61 HB2 0.04 0.20 0.03 -0.04 2.88 3.12 2rlpA11 ASN 61 HB3 0.07 0.15 0.05 -0.04 2.79 3.02 2rlpA11 ASN 61 HD21 0.05 0.64 0.23 -0.04 7.03 7.91 2rlpA11 ASN 61 HD22 0.03 -0.11 0.11 -0.04 7.74 7.72 2rlpA11 VAL 62 H 0.04 0.10 -0.07 -0.55 8.24 7.75 2rlpA11 VAL 62 HA 0.02 0.17 0.49 -0.75 4.13 4.05 2rlpA11 VAL 62 HB -0.05 -0.07 0.04 -0.04 2.12 2.00 2rlpA11 VAL 62 HG13 -0.19 0.03 -0.16 -0.04 0.97 0.61 2rlpA11 VAL 62 HG23 -0.08 0.04 -0.28 -0.04 0.95 0.59 2rlpA11 ILE 63 H 0.07 0.27 0.27 -0.55 8.25 8.31 2rlpA11 ILE 63 HA 0.18 0.30 1.15 -0.75 4.18 5.06 2rlpA11 ILE 63 HB 0.07 -0.13 0.19 -0.04 1.89 1.98 2rlpA11 ILE 63 HG12 0.07 0.27 -0.26 -0.04 1.49 1.52 2rlpA11 ILE 63 HG13 0.06 -0.01 -0.01 -0.04 1.21 1.21 2rlpA11 ILE 63 HG23 0.09 0.00 -0.09 -0.04 0.93 0.89 2rlpA11 ILE 63 HD13 0.08 0.02 -0.07 -0.04 0.88 0.87 2rlpA11 MET 64 H 0.24 0.68 0.31 -0.55 8.47 9.15 2rlpA11 MET 64 HA 0.15 -0.08 1.17 -0.75 4.52 5.00 2rlpA11 MET 64 HB2 0.33 -0.03 0.04 -0.04 2.15 2.45 2rlpA11 MET 64 HB3 0.30 0.10 0.10 -0.04 2.03 2.49 2rlpA11 MET 64 HG2 0.08 -0.00 -0.18 -0.04 2.63 2.48 2rlpA11 MET 64 HG3 0.15 -0.05 -0.27 -0.04 2.56 2.34 2rlpA11 MET 64 HE3 0.14 -0.03 -0.27 -0.04 2.10 1.90 2rlpA11 VAL 65 H 0.22 0.82 0.30 -0.55 8.24 9.03 2rlpA11 VAL 65 HA 0.24 0.24 0.64 -0.75 4.13 4.50 2rlpA11 VAL 65 HB 0.09 0.05 -0.31 -0.04 2.12 1.91 2rlpA11 VAL 65 HG13 0.02 -0.01 -0.33 -0.04 0.97 0.62 2rlpA11 VAL 65 HG23 0.00 0.01 -0.55 -0.04 0.95 0.37 2rlpA11 CYS 66 H -0.39 0.86 0.22 -0.55 8.50 8.64 2rlpA11 CYS 66 HA -0.98 0.13 0.56 -0.75 4.58 3.53 2rlpA11 CYS 66 HB2 -1.94 0.11 0.09 -0.04 2.97 1.19 2rlpA11 CYS 66 HB3 -0.52 -0.21 0.29 -0.04 2.97 2.49 2rlpA11 ARG 67 H -0.28 0.98 0.31 -0.55 8.46 8.91 2rlpA11 ARG 67 HA -0.13 -0.04 0.65 -0.75 4.34 4.07 2rlpA11 ARG 67 HB2 -0.08 0.08 -0.24 -0.04 1.90 1.62 2rlpA11 ARG 67 HB3 -0.06 0.06 0.02 -0.04 1.80 1.77 2rlpA11 ARG 67 HG2 -0.04 0.01 -0.17 -0.04 1.67 1.42 2rlpA11 ARG 67 HG3 -0.05 -0.05 0.02 -0.04 1.67 1.55 2rlpA11 ARG 67 HD2 -0.02 0.03 -0.07 -0.04 3.22 3.11 2rlpA11 ARG 67 HD3 -0.02 -0.00 -0.04 -0.04 3.22 3.11 2rlpA11 LYS 68 H -0.09 0.15 0.11 -0.55 8.42 8.04 2rlpA11 LYS 68 HA -0.05 0.05 0.30 -0.75 4.32 3.86 2rlpA11 LYS 68 HB2 -0.04 0.25 0.12 -0.04 1.87 2.16 2rlpA11 LYS 68 HB3 -0.03 0.02 0.22 -0.04 1.79 1.97 2rlpA11 LYS 68 HG2 -0.04 -0.09 -0.21 -0.04 1.46 1.09 2rlpA11 LYS 68 HG3 -0.03 0.04 -0.05 -0.04 1.46 1.39 2rlpA11 LYS 68 HD2 -0.02 0.03 0.03 -0.04 1.69 1.69 2rlpA11 LYS 68 HD3 -0.03 -0.03 0.07 -0.04 1.68 1.65 2rlpA11 LYS 68 HE2 -0.02 0.03 -0.01 -0.04 2.99 2.95 2rlpA11 LYS 68 HE3 -0.02 0.01 0.01 -0.04 2.99 2.95 2rlpA11 GLY 69 H -0.13 -0.01 -0.36 -0.55 8.43 7.38 2rlpA11 GLY 69 HA2 -0.09 0.09 -0.19 -0.51 4.01 3.30 2rlpA11 GLY 69 HA3 -0.05 0.22 0.66 -0.51 4.01 4.34 2rlpA11 GLU 70 H -0.10 0.28 -0.57 -0.55 8.60 7.66 2rlpA11 GLU 70 HA 0.00 0.23 0.99 -0.75 4.29 4.76 2rlpA11 GLU 70 HB2 0.04 0.04 0.00 -0.04 2.09 2.13 2rlpA11 GLU 70 HB3 0.01 0.02 -0.11 -0.04 1.99 1.87 2rlpA11 GLU 70 HG2 -0.03 0.05 -0.02 -0.04 2.34 2.30 2rlpA11 GLU 70 HG3 -0.01 -0.01 -0.19 -0.04 2.34 2.09 2rlpA11 TRP 71 H 0.25 0.19 0.10 -0.55 7.97 7.97 2rlpA11 TRP 71 HA -0.02 0.14 0.88 -0.75 4.62 4.87 2rlpA11 TRP 71 HB2 -0.06 0.02 0.13 -0.04 3.23 3.29 2rlpA11 TRP 71 HB3 -0.05 0.01 -0.05 -0.04 3.23 3.09 2rlpA11 TRP 71 HD1 -0.06 0.01 -0.17 -0.04 7.22 6.97 2rlpA11 TRP 71 HE1 -0.04 0.71 -0.10 -0.04 10.20 10.73 2rlpA11 TRP 71 HE3 -0.08 -0.05 -0.29 -0.04 7.59 7.13 2rlpA11 TRP 71 HZ2 -0.13 0.04 -0.08 -0.04 7.44 7.23 2rlpA11 TRP 71 HZ3 -0.08 0.05 -0.33 -0.04 7.13 6.73 2rlpA11 TRP 71 HH2 -0.08 0.00 -0.16 -0.04 7.19 6.91 2rlpA11 VAL 72 H 0.09 0.79 0.38 -0.55 8.24 8.95 2rlpA11 VAL 72 HA 0.07 0.20 0.88 -0.75 4.13 4.52 2rlpA11 VAL 72 HB 0.02 -0.06 0.10 -0.04 2.12 2.14 2rlpA11 VAL 72 HG13 0.00 0.02 -0.18 -0.04 0.97 0.78 2rlpA11 VAL 72 HG23 -0.00 0.04 -0.16 -0.04 0.95 0.78 2rlpA11 ALA 73 H 0.03 0.16 0.11 -0.55 8.40 8.16 2rlpA11 ALA 73 HA 0.06 0.08 0.70 -0.75 4.34 4.44 2rlpA11 ALA 73 HB3 0.01 0.02 -0.05 -0.04 1.41 1.36 2rlpA11 LEU 74 H 0.08 0.33 0.32 -0.55 8.37 8.55 2rlpA11 LEU 74 HA 0.04 0.08 0.61 -0.75 4.35 4.32 2rlpA11 LEU 74 HB2 0.08 -0.04 -0.30 -0.04 1.64 1.33 2rlpA11 LEU 74 HB3 0.07 0.06 -0.00 -0.04 1.64 1.72 2rlpA11 LEU 74 HG 0.06 -0.00 -0.10 -0.04 1.64 1.55 2rlpA11 LEU 74 HD13 0.03 -0.01 -0.16 -0.04 0.93 0.75 2rlpA11 LEU 74 HD23 0.04 -0.01 -0.07 -0.04 0.89 0.81 2rlpA11 ASN 75 H 0.05 0.56 0.19 -0.55 8.53 8.78 2rlpA11 ASN 75 HA 0.02 0.23 0.94 -0.75 4.76 5.20 2rlpA11 ASN 75 HB2 0.04 -0.04 0.31 -0.04 2.88 3.15 2rlpA11 ASN 75 HB3 0.02 -0.11 0.12 -0.04 2.79 2.79 2rlpA11 ASN 75 HD21 0.02 0.04 0.03 -0.04 7.03 7.08 2rlpA11 ASN 75 HD22 0.02 0.00 -0.03 -0.04 7.74 7.69 2rlpA11 PRO 76 HA -0.00 0.12 0.44 -0.51 4.44 4.49 2rlpA11 PRO 76 HB2 -0.00 0.03 -0.02 -0.04 2.28 2.25 2rlpA11 PRO 76 HB3 0.00 0.01 0.03 -0.04 2.02 2.02 2rlpA11 PRO 76 HG2 0.01 0.00 0.01 -0.04 2.03 2.00 2rlpA11 PRO 76 HG3 0.01 0.08 0.00 -0.04 2.03 2.08 2rlpA11 PRO 76 HD2 0.01 0.06 0.23 -0.04 3.68 3.94 2rlpA11 PRO 76 HD3 0.02 0.41 -0.31 -0.04 3.65 3.73 2rlpA11 LEU 77 H 0.01 0.08 -0.24 -0.55 8.37 7.67 2rlpA11 LEU 77 HA -0.00 0.11 0.43 -0.75 4.35 4.14 2rlpA11 LEU 77 HB2 0.01 -0.02 0.01 -0.04 1.64 1.60 2rlpA11 LEU 77 HB3 0.01 0.01 -0.01 -0.04 1.64 1.61 2rlpA11 LEU 77 HG 0.01 0.01 0.01 -0.04 1.64 1.62 2rlpA11 LEU 77 HD13 0.00 0.01 -0.03 -0.04 0.93 0.87 2rlpA11 LEU 77 HD23 0.01 -0.02 0.02 -0.04 0.89 0.86 2rlpA11 ARG 78 H 0.00 0.08 -0.46 -0.55 8.46 7.53 2rlpA11 ARG 78 HA 0.00 0.07 0.44 -0.75 4.34 4.09 2rlpA11 ARG 78 HB2 0.01 0.09 -0.08 -0.04 1.90 1.88 2rlpA11 ARG 78 HB3 0.01 -0.16 -0.45 -0.04 1.80 1.16 2rlpA11 ARG 78 HG2 0.01 -0.11 -0.10 -0.04 1.67 1.44 2rlpA11 ARG 78 HG3 0.02 0.12 -0.22 -0.04 1.67 1.54 2rlpA11 ARG 78 HD2 0.01 -0.19 -0.36 -0.04 3.22 2.64 2rlpA11 ARG 78 HD3 0.01 0.04 -0.32 -0.04 3.22 2.91 2rlpA11 LYS 79 H -0.01 0.33 0.21 -0.55 8.42 8.40 2rlpA11 LYS 79 HA -0.06 0.06 0.52 -0.75 4.32 4.08 2rlpA11 LYS 79 HB2 -0.05 -0.04 0.01 -0.04 1.87 1.75 2rlpA11 LYS 79 HB3 -0.03 0.16 -0.30 -0.04 1.79 1.57 2rlpA11 LYS 79 HG2 -0.01 0.03 -0.06 -0.04 1.46 1.38 2rlpA11 LYS 79 HG3 -0.01 0.01 -0.47 -0.04 1.46 0.95 2rlpA11 LYS 79 HD2 -0.00 -0.04 -0.09 -0.04 1.69 1.53 2rlpA11 LYS 79 HD3 -0.02 -0.01 -0.09 -0.04 1.68 1.51 2rlpA11 LYS 79 HE2 -0.01 -0.06 -0.05 -0.04 2.99 2.83 2rlpA11 LYS 79 HE3 -0.02 0.05 -0.15 -0.04 2.99 2.83 2rlpA11 CYS 80 H -0.10 0.11 0.06 -0.55 8.50 8.02 2rlpA11 CYS 80 HA -0.01 0.18 0.83 -0.75 4.58 4.83 2rlpA11 CYS 80 HB2 -0.28 -0.09 0.12 -0.04 2.97 2.68 2rlpA11 CYS 80 HB3 -0.34 0.09 0.01 -0.04 2.97 2.68 2rlpA11 GLN 81 H 0.07 0.62 0.46 -0.55 8.47 9.08 2rlpA11 GLN 81 HA 0.11 0.13 0.91 -0.75 4.36 4.75 2rlpA11 GLN 81 HB2 0.05 0.07 0.14 -0.04 2.15 2.37 2rlpA11 GLN 81 HB3 0.05 0.04 0.09 -0.04 2.02 2.17 2rlpA11 GLN 81 HG2 0.02 0.02 -0.17 -0.04 2.40 2.24 2rlpA11 GLN 81 HG3 0.03 -0.03 0.02 -0.04 2.39 2.36 2rlpA11 GLN 81 HE21 0.02 0.06 -0.36 -0.04 6.97 6.65 2rlpA11 GLN 81 HE22 0.02 -0.03 -0.02 -0.04 7.69 7.62 2rlpA11 LYS 82 H 0.11 0.09 0.16 -0.55 8.42 8.23 2rlpA11 LYS 82 HA -0.08 0.18 0.72 -0.75 4.32 4.38 2rlpA11 LYS 82 HB2 0.02 -0.08 0.09 -0.04 1.87 1.87 2rlpA11 LYS 82 HB3 -0.03 0.04 0.13 -0.04 1.79 1.88 2rlpA11 LYS 82 HG2 -0.24 0.05 0.00 -0.04 1.46 1.24 2rlpA11 LYS 82 HG3 0.11 -0.07 0.05 -0.04 1.46 1.50 2rlpA11 LYS 82 HD2 0.02 -0.11 -0.02 -0.04 1.69 1.54 2rlpA11 LYS 82 HD3 -0.01 0.17 0.06 -0.04 1.68 1.85 2rlpA11 LYS 82 HE2 0.01 -0.01 0.01 -0.04 2.99 2.96 2rlpA11 LYS 82 HE3 0.07 -0.09 0.00 -0.04 2.99 2.93 2rlpA11 ARG 83 H -0.11 0.60 0.37 -0.55 8.46 8.76 2rlpA11 ARG 83 HA -0.01 0.12 0.71 -0.75 4.34 4.41 2rlpA11 ARG 83 HB2 -0.05 0.10 0.04 -0.04 1.90 1.94 2rlpA11 ARG 83 HB3 -0.06 -0.05 -0.09 -0.04 1.80 1.55 2rlpA11 ARG 83 HG2 -0.18 0.08 -0.00 -0.04 1.67 1.53 2rlpA11 ARG 83 HG3 -0.09 -0.14 -0.23 -0.04 1.67 1.17 2rlpA11 ARG 83 HD2 -0.11 -0.01 -0.02 -0.04 3.22 3.03 2rlpA11 ARG 83 HD3 -0.14 -0.05 -0.12 -0.04 3.22 2.87 2rlpA11 PRO 84 HA 0.04 0.27 0.62 -0.51 4.44 4.86 2rlpA11 PRO 84 HB2 0.07 -0.09 0.01 -0.04 2.28 2.23 2rlpA11 PRO 84 HB3 0.08 0.10 0.17 -0.04 2.02 2.33 2rlpA11 PRO 84 HG2 0.02 0.02 0.02 -0.04 2.03 2.05 2rlpA11 PRO 84 HG3 0.04 0.02 0.08 -0.04 2.03 2.12 2rlpA11 PRO 84 HD2 -0.00 0.06 0.24 -0.04 3.68 3.94 2rlpA11 PRO 84 HD3 0.02 0.21 0.19 -0.04 3.65 4.02 2rlpA11 CYS 85 H 0.01 0.08 -0.21 -0.55 8.50 7.84 2rlpA11 CYS 85 HA -0.29 0.26 0.42 -0.75 4.58 4.22 2rlpA11 CYS 85 HB2 -0.50 -0.03 -0.20 -0.04 2.97 2.20 2rlpA11 CYS 85 HB3 -1.52 0.13 -0.06 -0.04 2.97 1.47 2rlpA11 GLY 86 H 0.03 0.03 -0.13 -0.55 8.43 7.81 2rlpA11 GLY 86 HA2 0.04 0.02 0.26 -0.51 4.01 3.83 2rlpA11 GLY 86 HA3 0.08 0.20 0.87 -0.51 4.01 4.66 2rlpA11 HIS 87 H 0.19 0.34 0.02 -0.55 8.41 8.41 2rlpA11 HIS 87 HA -0.75 0.20 0.70 -0.75 4.63 4.03 2rlpA11 HIS 87 HB2 -0.13 0.01 -0.27 -0.04 3.26 2.82 2rlpA11 HIS 87 HB3 -0.11 -0.06 -0.01 -0.04 3.20 2.97 2rlpA11 HIS 87 HD2 -0.13 -0.05 -0.53 -0.04 6.97 6.21 2rlpA11 HIS 87 HE1 0.19 -0.01 -0.04 -0.04 7.75 7.84 2rlpA11 PRO 88 HA -1.60 0.07 0.27 -0.51 4.44 2.66 2rlpA11 PRO 88 HB2 -1.22 0.05 0.15 -0.04 2.28 1.23 2rlpA11 PRO 88 HB3 -2.90 -0.01 0.01 -0.04 2.02 -0.92 2rlpA11 PRO 88 HG2 -1.81 0.15 -0.05 -0.04 2.03 0.28 2rlpA11 PRO 88 HG3 -1.34 -0.01 -0.03 -0.04 2.03 0.61 2rlpA11 PRO 88 HD2 -1.27 0.14 0.07 -0.04 3.68 2.59 2rlpA11 PRO 88 HD3 -1.05 0.08 0.03 -0.04 3.65 2.67 2rlpA11 GLY 89 H -0.14 0.25 -0.84 -0.55 8.43 7.15 2rlpA11 GLY 89 HA2 -0.03 -0.01 0.27 -0.51 4.01 3.72 2rlpA11 GLY 89 HA3 -0.11 0.19 0.74 -0.51 4.01 4.32 2rlpA11 ASP 90 H 0.03 0.16 -0.12 -0.55 8.40 7.93 2rlpA11 ASP 90 HA 0.22 0.24 0.85 -0.75 4.63 5.17 2rlpA11 ASP 90 HB2 0.01 -0.05 -0.21 -0.04 2.71 2.41 2rlpA11 ASP 90 HB3 0.01 -0.02 0.12 -0.04 2.70 2.76 2rlpA11 THR 91 H 0.13 0.20 -0.19 -0.55 8.28 7.86 2rlpA11 THR 91 HA 0.08 0.08 0.50 -0.75 4.39 4.29 2rlpA11 THR 91 HB 0.20 -0.02 -0.01 -0.04 4.32 4.45 2rlpA11 THR 91 HG23 0.08 0.01 -0.28 -0.04 1.22 0.99 2rlpA11 PRO 92 HA -0.15 0.11 0.47 -0.51 4.44 4.36 2rlpA11 PRO 92 HB2 -0.31 0.01 -0.01 -0.04 2.28 1.93 2rlpA11 PRO 92 HB3 -0.07 0.02 0.11 -0.04 2.02 2.04 2rlpA11 PRO 92 HG2 0.32 0.01 0.10 -0.04 2.03 2.42 2rlpA11 PRO 92 HG3 0.11 0.02 0.09 -0.04 2.03 2.21 2rlpA11 PRO 92 HD2 0.12 0.08 0.25 -0.04 3.68 4.09 2rlpA11 PRO 92 HD3 0.05 0.19 0.24 -0.04 3.65 4.10 2rlpA11 PHE 93 H 0.17 0.14 -0.12 -0.55 8.34 7.97 2rlpA11 PHE 93 HA -0.03 0.18 0.91 -0.75 4.62 4.92 2rlpA11 PHE 93 HB2 -0.00 -0.04 0.13 -0.04 3.15 3.19 2rlpA11 PHE 93 HB3 -0.04 0.01 0.05 -0.04 3.06 3.03 2rlpA11 PHE 93 HD2 -0.03 -0.03 -0.02 -0.04 7.28 7.17 2rlpA11 PHE 93 HE2 -0.02 -0.02 -0.02 -0.04 7.38 7.27 2rlpA11 PHE 93 HZ -0.02 -0.02 -0.02 -0.04 7.32 7.22 2rlpA11 GLY 94 H -0.01 0.16 0.11 -0.55 8.43 8.14 2rlpA11 GLY 94 HA2 -0.11 -0.02 0.51 -0.51 4.01 3.88 2rlpA11 GLY 94 HA3 -0.17 0.19 0.97 -0.51 4.01 4.48 2rlpA11 THR 95 H -0.53 0.82 0.45 -0.55 8.28 8.47 2rlpA11 THR 95 HA -0.19 0.13 0.51 -0.75 4.39 4.09 2rlpA11 THR 95 HB -0.18 -0.05 -0.11 -0.04 4.32 3.94 2rlpA11 THR 95 HG23 -0.26 0.02 0.11 -0.04 1.22 1.04 2rlpA11 PHE 96 H -0.51 0.24 0.20 -0.55 8.34 7.72 2rlpA11 PHE 96 HA -0.09 0.30 0.88 -0.75 4.62 4.94 2rlpA11 PHE 96 HB2 -0.03 -0.02 -0.16 -0.04 3.15 2.90 2rlpA11 PHE 96 HB3 -0.08 0.04 -0.24 -0.04 3.06 2.74 2rlpA11 PHE 96 HD2 -0.04 -0.00 -0.29 -0.04 7.28 6.91 2rlpA11 PHE 96 HE2 0.07 0.01 -0.08 -0.04 7.38 7.33 2rlpA11 PHE 96 HZ -0.02 -0.03 -0.04 -0.04 7.32 7.19 2rlpA11 THR 97 H 0.16 0.72 0.35 -0.55 8.28 8.97 2rlpA11 THR 97 HA -0.03 0.17 0.91 -0.75 4.39 4.69 2rlpA11 THR 97 HB 0.02 0.00 0.02 -0.04 4.32 4.33 2rlpA11 THR 97 HG23 -0.05 -0.00 -0.07 -0.04 1.22 1.06 2rlpA11 LEU 98 H 0.04 0.18 0.22 -0.55 8.37 8.26 2rlpA11 LEU 98 HA 0.14 0.43 1.25 -0.75 4.35 5.42 2rlpA11 LEU 98 HB2 0.02 -0.05 0.15 -0.04 1.64 1.72 2rlpA11 LEU 98 HB3 0.07 0.08 -0.08 -0.04 1.64 1.66 2rlpA11 LEU 98 HG 0.30 -0.07 -0.33 -0.04 1.64 1.50 2rlpA11 LEU 98 HD13 -0.18 0.07 -0.37 -0.04 0.93 0.41 2rlpA11 LEU 98 HD23 0.35 0.03 -0.20 -0.04 0.89 1.03 2rlpA11 THR 99 H 0.06 0.50 0.42 -0.55 8.28 8.70 2rlpA11 THR 99 HA 0.00 0.19 1.00 -0.75 4.39 4.83 2rlpA11 THR 99 HB -0.00 0.05 -0.01 -0.04 4.32 4.31 2rlpA11 THR 99 HG23 -0.03 0.03 0.06 -0.04 1.22 1.24 2rlpA11 GLY 100 H -0.01 0.17 0.18 -0.55 8.43 8.22 2rlpA11 GLY 100 HA2 -0.02 0.02 0.35 -0.51 4.01 3.85 2rlpA11 GLY 100 HA3 -0.03 0.28 0.77 -0.51 4.01 4.53 2rlpA11 GLY 101 H -0.01 0.17 -0.26 -0.55 8.43 7.79 2rlpA11 GLY 101 HA2 -0.02 0.04 0.25 -0.51 4.01 3.78 2rlpA11 GLY 101 HA3 -0.01 0.13 0.33 -0.51 4.01 3.95 2rlpA11 ASN 102 H -0.04 0.16 0.09 -0.55 8.53 8.20 2rlpA11 ASN 102 HA -0.05 0.23 0.81 -0.75 4.76 5.00 2rlpA11 ASN 102 HB2 -0.04 -0.03 0.02 -0.04 2.88 2.79 2rlpA11 ASN 102 HB3 -0.06 0.00 0.04 -0.04 2.79 2.73 2rlpA11 ASN 102 HD21 -0.04 0.01 0.05 -0.04 7.03 7.02 2rlpA11 ASN 102 HD22 -0.05 -0.00 0.08 -0.04 7.74 7.73 2rlpA11 VAL 103 H -0.08 0.08 -0.19 -0.55 8.24 7.51 2rlpA11 VAL 103 HA -0.42 0.32 0.97 -0.75 4.13 4.24 2rlpA11 VAL 103 HB -0.09 -0.08 -0.26 -0.04 2.12 1.65 2rlpA11 VAL 103 HG13 -0.01 0.02 -0.25 -0.04 0.97 0.69 2rlpA11 VAL 103 HG23 -0.07 0.04 0.03 -0.04 0.95 0.91 2rlpA11 PHE 104 H -0.09 0.18 0.07 -0.55 8.34 7.93 2rlpA11 PHE 104 HA 0.10 0.22 0.91 -0.75 4.62 5.10 2rlpA11 PHE 104 HB2 0.09 0.02 0.24 -0.04 3.15 3.46 2rlpA11 PHE 104 HB3 0.12 -0.17 0.05 -0.04 3.06 3.02 2rlpA11 PHE 104 HD2 0.28 -0.01 -0.04 -0.04 7.28 7.47 2rlpA11 PHE 104 HE2 0.07 0.00 -0.06 -0.04 7.38 7.35 2rlpA11 PHE 104 HZ 0.12 0.02 -0.05 -0.04 7.32 7.38 2rlpA11 GLU 105 H 0.07 0.40 0.17 -0.55 8.60 8.69 2rlpA11 GLU 105 HA 0.01 0.30 0.62 -0.75 4.29 4.46 2rlpA11 GLU 105 HB2 0.01 0.07 -0.03 -0.04 2.09 2.10 2rlpA11 GLU 105 HB3 0.03 0.03 -0.25 -0.04 1.99 1.76 2rlpA11 GLU 105 HG2 0.00 -0.14 -0.32 -0.04 2.34 1.84 2rlpA11 GLU 105 HG3 -0.02 0.07 -0.38 -0.04 2.34 1.97 2rlpA11 TYR 106 H 0.01 0.56 0.16 -0.55 8.29 8.47 2rlpA11 TYR 106 HA -0.22 -0.04 0.40 -0.75 4.56 3.95 2rlpA11 TYR 106 HB2 -0.21 0.10 0.13 -0.04 3.06 3.04 2rlpA11 TYR 106 HB3 -0.27 0.01 0.23 -0.04 2.98 2.91 2rlpA11 TYR 106 HD2 -0.26 0.02 -0.29 -0.04 7.15 6.57 2rlpA11 TYR 106 HE2 -0.11 -0.11 -0.04 -0.04 6.85 6.55 2rlpA11 GLY 107 H -0.40 0.13 0.29 -0.55 8.43 7.90 2rlpA11 GLY 107 HA2 -0.42 -0.01 0.34 -0.51 4.01 3.40 2rlpA11 GLY 107 HA3 -0.22 0.23 0.92 -0.51 4.01 4.43 2rlpA11 VAL 108 H -0.10 0.39 0.15 -0.55 8.24 8.13 2rlpA11 VAL 108 HA 0.00 0.30 0.76 -0.75 4.13 4.44 2rlpA11 VAL 108 HB 0.12 0.01 -0.03 -0.04 2.12 2.17 2rlpA11 VAL 108 HG13 0.02 0.08 -0.26 -0.04 0.97 0.77 2rlpA11 VAL 108 HG23 0.28 0.04 -0.04 -0.04 0.95 1.19 2rlpA11 LYS 109 H 0.06 0.70 0.43 -0.55 8.42 9.06 2rlpA11 LYS 109 HA 0.20 0.07 0.98 -0.75 4.32 4.82 2rlpA11 LYS 109 HB2 -0.07 0.06 0.07 -0.04 1.87 1.89 2rlpA11 LYS 109 HB3 -0.02 -0.07 0.24 -0.04 1.79 1.90 2rlpA11 LYS 109 HG2 -0.04 0.01 -0.39 -0.04 1.46 1.00 2rlpA11 LYS 109 HG3 -0.16 -0.04 -0.14 -0.04 1.46 1.07 2rlpA11 LYS 109 HD2 -0.26 -0.01 -0.05 -0.04 1.69 1.33 2rlpA11 LYS 109 HD3 -0.86 -0.01 -0.13 -0.04 1.68 0.64 2rlpA11 LYS 109 HE2 -0.49 -0.00 -0.05 -0.04 2.99 2.41 2rlpA11 LYS 109 HE3 -0.84 -0.03 -0.07 -0.04 2.99 2.01 2rlpA11 ALA 110 H 0.34 0.63 0.20 -0.55 8.40 9.02 2rlpA11 ALA 110 HA 0.19 0.32 1.03 -0.75 4.34 5.13 2rlpA11 ALA 110 HB3 -0.31 0.02 0.14 -0.04 1.41 1.21 2rlpA11 VAL 111 H 0.16 0.83 0.31 -0.55 8.24 8.99 2rlpA11 VAL 111 HA 0.25 0.06 0.98 -0.75 4.13 4.66 2rlpA11 VAL 111 HB 0.05 -0.08 -0.04 -0.04 2.12 2.02 2rlpA11 VAL 111 HG13 0.06 0.02 0.01 -0.04 0.97 1.01 2rlpA11 VAL 111 HG23 0.11 0.03 -0.09 -0.04 0.95 0.96 2rlpA11 TYR 112 H 0.28 0.62 0.51 -0.55 8.29 9.14 2rlpA11 TYR 112 HA 0.12 0.18 0.70 -0.75 4.56 4.80 2rlpA11 TYR 112 HB2 0.04 -0.02 0.01 -0.04 3.06 3.04 2rlpA11 TYR 112 HB3 0.05 -0.02 -0.01 -0.04 2.98 2.96 2rlpA11 TYR 112 HD2 0.03 -0.06 -0.24 -0.04 7.15 6.84 2rlpA11 TYR 112 HE2 0.03 -0.11 -0.11 -0.04 6.85 6.62 2rlpA11 THR 113 H -0.29 0.87 0.46 -0.55 8.28 8.77 2rlpA11 THR 113 HA 0.10 0.14 0.68 -0.75 4.39 4.56 2rlpA11 THR 113 HB -0.06 -0.02 -0.15 -0.04 4.32 4.05 2rlpA11 THR 113 HG23 0.02 -0.03 0.01 -0.04 1.22 1.19 2rlpA11 CYS 114 H 0.05 0.18 0.08 -0.55 8.50 8.27 2rlpA11 CYS 114 HA -0.05 0.04 0.57 -0.75 4.58 4.39 2rlpA11 CYS 114 HB2 0.12 0.12 -0.13 -0.04 2.97 3.03 2rlpA11 CYS 114 HB3 0.15 0.03 -0.03 -0.04 2.97 3.08 2rlpA11 ASN 115 H 0.10 0.31 0.21 -0.55 8.53 8.60 2rlpA11 ASN 115 HA 0.07 0.20 0.82 -0.75 4.76 5.10 2rlpA11 ASN 115 HB2 0.09 0.07 -0.25 -0.04 2.88 2.75 2rlpA11 ASN 115 HB3 0.28 0.01 -0.05 -0.04 2.79 2.99 2rlpA11 ASN 115 HD21 0.07 0.11 -0.00 -0.04 7.03 7.16 2rlpA11 ASN 115 HD22 0.13 0.01 0.03 -0.04 7.74 7.87 2rlpA11 GLU 116 H 0.11 0.07 0.18 -0.55 8.60 8.42 2rlpA11 GLU 116 HA 0.05 0.23 0.81 -0.75 4.29 4.64 2rlpA11 GLU 116 HB2 0.04 0.03 0.08 -0.04 2.09 2.20 2rlpA11 GLU 116 HB3 0.05 -0.08 0.20 -0.04 1.99 2.12 2rlpA11 GLU 116 HG2 0.02 0.03 -0.17 -0.04 2.34 2.17 2rlpA11 GLU 116 HG3 0.02 0.03 0.04 -0.04 2.34 2.39 2rlpA11 GLY 117 H 0.09 0.01 0.13 -0.55 8.43 8.11 2rlpA11 GLY 117 HA2 -0.07 0.15 0.36 -0.51 4.01 3.94 2rlpA11 GLY 117 HA3 -0.15 0.01 0.32 -0.51 4.01 3.68 2rlpA11 TYR 118 H 0.16 0.06 -0.82 -0.55 8.29 7.13 2rlpA11 TYR 118 HA 0.02 0.24 0.74 -0.75 4.56 4.81 2rlpA11 TYR 118 HB2 0.04 -0.14 -0.09 -0.04 3.06 2.82 2rlpA11 TYR 118 HB3 0.03 0.04 -0.22 -0.04 2.98 2.80 2rlpA11 TYR 118 HD2 0.01 -0.01 -0.13 -0.04 7.15 6.99 2rlpA11 TYR 118 HE2 -0.00 -0.04 -0.05 -0.04 6.85 6.72 2rlpA11 GLN 119 H 0.09 0.14 -0.06 -0.55 8.47 8.10 2rlpA11 GLN 119 HA 0.11 0.27 0.91 -0.75 4.36 4.89 2rlpA11 GLN 119 HB2 0.04 -0.01 0.13 -0.04 2.15 2.28 2rlpA11 GLN 119 HB3 0.05 -0.01 0.23 -0.04 2.02 2.24 2rlpA11 GLN 119 HG2 0.03 0.01 0.03 -0.04 2.40 2.43 2rlpA11 GLN 119 HG3 0.05 0.07 0.01 -0.04 2.39 2.48 2rlpA11 GLN 119 HE21 0.02 -0.02 -0.01 -0.04 6.97 6.91 2rlpA11 GLN 119 HE22 -0.01 0.05 -0.09 -0.04 7.69 7.59 2rlpA11 LEU 120 H 0.03 0.46 0.18 -0.55 8.37 8.49 2rlpA11 LEU 120 HA 0.03 0.00 0.99 -0.75 4.35 4.62 2rlpA11 LEU 120 HB2 -0.15 0.01 -0.50 -0.04 1.64 0.95 2rlpA11 LEU 120 HB3 0.07 0.02 -0.79 -0.04 1.64 0.91 2rlpA11 LEU 120 HG -0.12 0.10 -0.51 -0.04 1.64 1.07 2rlpA11 LEU 120 HD13 -0.17 0.02 -0.23 -0.04 0.93 0.51 2rlpA11 LEU 120 HD23 0.01 -0.00 -0.14 -0.04 0.89 0.72 2rlpA11 LEU 121 H -0.05 0.83 0.35 -0.55 8.37 8.96 2rlpA11 LEU 121 HA -0.03 0.09 0.94 -0.75 4.35 4.60 2rlpA11 LEU 121 HB2 -0.04 0.02 0.24 -0.04 1.64 1.82 2rlpA11 LEU 121 HB3 -0.04 0.01 0.04 -0.04 1.64 1.61 2rlpA11 LEU 121 HG -0.01 0.02 0.03 -0.04 1.64 1.64 2rlpA11 LEU 121 HD13 -0.01 0.01 0.04 -0.04 0.93 0.93 2rlpA11 LEU 121 HD23 0.01 0.00 -0.07 -0.04 0.89 0.78 2rlpA11 GLY 122 H -0.04 0.13 0.14 -0.55 8.43 8.12 2rlpA11 GLY 122 HA2 -0.06 -0.02 0.37 -0.51 4.01 3.79 2rlpA11 GLY 122 HA3 -0.09 0.28 0.70 -0.51 4.01 4.38 2rlpA11 GLU 123 H -0.06 0.14 0.17 -0.55 8.60 8.30 2rlpA11 GLU 123 HA -0.02 0.19 0.71 -0.75 4.29 4.41 2rlpA11 GLU 123 HB2 -0.04 -0.00 0.11 -0.04 2.09 2.11 2rlpA11 GLU 123 HB3 -0.02 0.03 0.10 -0.04 1.99 2.06 2rlpA11 GLU 123 HG2 -0.02 0.05 0.01 -0.04 2.34 2.34 2rlpA11 GLU 123 HG3 -0.03 -0.08 0.04 -0.04 2.34 2.24 2rlpA11 ILE 124 H -0.10 0.01 -0.06 -0.55 8.25 7.55 2rlpA11 ILE 124 HA -0.14 0.16 0.78 -0.75 4.18 4.22 2rlpA11 ILE 124 HB -0.25 0.02 0.22 -0.04 1.89 1.85 2rlpA11 ILE 124 HG12 -0.11 -0.14 -0.01 -0.04 1.49 1.18 2rlpA11 ILE 124 HG13 -0.17 0.04 0.02 -0.04 1.21 1.06 2rlpA11 ILE 124 HG23 -0.96 0.03 -0.05 -0.04 0.93 -0.09 2rlpA11 ILE 124 HD13 -0.09 0.04 -0.12 -0.04 0.88 0.67 2rlpA11 ASN 125 H 0.04 0.21 0.09 -0.55 8.53 8.33 2rlpA11 ASN 125 HA -0.02 0.15 0.40 -0.75 4.76 4.54 2rlpA11 ASN 125 HB2 0.13 0.08 0.16 -0.04 2.88 3.21 2rlpA11 ASN 125 HB3 0.07 0.02 0.00 -0.04 2.79 2.84 2rlpA11 ASN 125 HD21 0.11 0.05 0.06 -0.04 7.03 7.21 2rlpA11 ASN 125 HD22 0.11 -0.03 0.02 -0.04 7.74 7.80 2rlpA11 TYR 126 H -0.17 0.44 -0.83 -0.55 8.29 7.18 2rlpA11 TYR 126 HA 0.07 0.21 0.83 -0.75 4.56 4.91 2rlpA11 TYR 126 HB2 0.07 0.03 -0.25 -0.04 3.06 2.86 2rlpA11 TYR 126 HB3 0.06 0.05 -0.32 -0.04 2.98 2.73 2rlpA11 TYR 126 HD2 0.06 -0.04 -0.33 -0.04 7.15 6.80 2rlpA11 TYR 126 HE2 0.03 -0.00 -0.07 -0.04 6.85 6.78 2rlpA11 ARG 127 H 0.24 0.71 0.20 -0.55 8.46 9.05 2rlpA11 ARG 127 HA 0.05 -0.02 0.52 -0.75 4.34 4.14 2rlpA11 ARG 127 HB2 0.08 -0.05 0.06 -0.04 1.90 1.94 2rlpA11 ARG 127 HB3 -0.07 0.26 -0.14 -0.04 1.80 1.82 2rlpA11 ARG 127 HG2 -0.23 0.06 0.08 -0.04 1.67 1.53 2rlpA11 ARG 127 HG3 -0.51 -0.11 0.02 -0.04 1.67 1.04 2rlpA11 ARG 127 HD2 -0.24 0.07 -0.19 -0.04 3.22 2.82 2rlpA11 ARG 127 HD3 -0.68 0.11 0.01 -0.04 3.22 2.62 2rlpA11 GLU 128 H 0.30 0.09 0.14 -0.55 8.60 8.58 2rlpA11 GLU 128 HA 0.37 0.18 1.10 -0.75 4.29 5.18 2rlpA11 GLU 128 HB2 0.24 -0.08 0.12 -0.04 2.09 2.33 2rlpA11 GLU 128 HB3 0.08 0.16 0.07 -0.04 1.99 2.26 2rlpA11 GLU 128 HG2 0.10 0.03 0.06 -0.04 2.34 2.49 2rlpA11 GLU 128 HG3 0.34 -0.08 -0.06 -0.04 2.34 2.51 2rlpA11 CYS 129 H 0.04 0.62 0.34 -0.55 8.50 8.95 2rlpA11 CYS 129 HA -0.69 0.16 0.79 -0.75 4.58 4.09 2rlpA11 CYS 129 HB2 -0.74 0.03 0.15 -0.04 2.97 2.37 2rlpA11 CYS 129 HB3 -0.32 -0.35 0.29 -0.04 2.97 2.54 2rlpA11 ASP 130 H -0.31 0.95 0.25 -0.55 8.40 8.74 2rlpA11 ASP 130 HA 0.15 0.23 0.83 -0.75 4.63 5.09 2rlpA11 ASP 130 HB2 0.04 0.06 -0.31 -0.04 2.71 2.46 2rlpA11 ASP 130 HB3 -0.02 -0.12 -0.42 -0.04 2.70 2.10 2rlpA11 THR 131 H 0.07 0.17 0.07 -0.55 8.28 8.05 2rlpA11 THR 131 HA -0.30 0.09 0.32 -0.75 4.39 3.75 2rlpA11 THR 131 HB -0.14 0.03 0.00 -0.04 4.32 4.16 2rlpA11 THR 131 HG23 -0.22 0.01 -0.15 -0.04 1.22 0.82 2rlpA11 ASP 132 H -0.04 -0.10 -0.38 -0.55 8.40 7.33 2rlpA11 ASP 132 HA -0.06 0.27 0.93 -0.75 4.63 5.02 2rlpA11 ASP 132 HB2 -0.03 -0.02 -0.05 -0.04 2.71 2.57 2rlpA11 ASP 132 HB3 -0.01 -0.04 -0.01 -0.04 2.70 2.59 2rlpA11 GLY 133 H -0.08 -0.18 -0.31 -0.55 8.43 7.32 2rlpA11 GLY 133 HA2 -0.21 0.28 0.54 -0.51 4.01 4.11 2rlpA11 GLY 133 HA3 -0.02 -0.01 0.32 -0.51 4.01 3.79 2rlpA11 TRP 134 H 0.16 0.25 0.14 -0.55 7.97 7.97 2rlpA11 TRP 134 HA 0.01 0.15 1.02 -0.75 4.62 5.05 2rlpA11 TRP 134 HB2 -0.03 0.05 0.04 -0.04 3.23 3.25 2rlpA11 TRP 134 HB3 -0.02 0.00 0.01 -0.04 3.23 3.18 2rlpA11 TRP 134 HD1 -0.06 -0.01 -0.18 -0.04 7.22 6.93 2rlpA11 TRP 134 HE1 -0.17 -0.07 -0.67 -0.04 10.20 9.25 2rlpA11 TRP 134 HE3 0.01 0.02 -0.76 -0.04 7.59 6.81 2rlpA11 TRP 134 HZ2 -0.35 -0.03 -0.35 -0.04 7.44 6.67 2rlpA11 TRP 134 HZ3 0.04 -0.03 -0.09 -0.04 7.13 7.01 2rlpA11 TRP 134 HH2 0.22 0.00 -0.14 -0.04 7.19 7.23 2rlpA11 THR 135 H 0.23 0.83 0.24 -0.55 8.28 9.03 2rlpA11 THR 135 HA 0.08 0.02 0.36 -0.75 4.39 4.10 2rlpA11 THR 135 HB 0.06 -0.01 0.05 -0.04 4.32 4.38 2rlpA11 THR 135 HG23 0.07 0.01 -0.15 -0.04 1.22 1.11 2rlpA11 ASN 136 H 0.15 0.15 -0.06 -0.55 8.53 8.23 2rlpA11 ASN 136 HA -0.01 0.18 0.97 -0.75 4.76 5.14 2rlpA11 ASN 136 HB2 -0.06 0.05 0.23 -0.04 2.88 3.06 2rlpA11 ASN 136 HB3 -0.11 -0.01 0.21 -0.04 2.79 2.84 2rlpA11 ASN 136 HD21 -0.10 -0.01 0.06 -0.04 7.03 6.94 2rlpA11 ASN 136 HD22 -0.10 -0.03 -0.03 -0.04 7.74 7.53 2rlpA11 ASP 137 H -0.05 0.06 0.13 -0.55 8.40 7.99 2rlpA11 ASP 137 HA -0.03 0.20 0.66 -0.75 4.63 4.70 2rlpA11 ASP 137 HB2 -0.04 -0.05 0.14 -0.04 2.71 2.72 2rlpA11 ASP 137 HB3 -0.02 0.00 0.02 -0.04 2.70 2.65 2rlpA11 ILE 138 H -0.07 0.07 0.09 -0.55 8.25 7.79 2rlpA11 ILE 138 HA -0.12 0.24 0.65 -0.75 4.18 4.19 2rlpA11 ILE 138 HB -0.05 -0.09 0.14 -0.04 1.89 1.85 2rlpA11 ILE 138 HG12 -0.12 0.27 -0.01 -0.04 1.49 1.60 2rlpA11 ILE 138 HG13 -0.09 -0.11 -0.04 -0.04 1.21 0.93 2rlpA11 ILE 138 HG23 0.02 0.04 -0.08 -0.04 0.93 0.87 2rlpA11 ILE 138 HD13 -0.04 -0.04 -0.01 -0.04 0.88 0.75 2rlpA11 PRO 139 HA -0.21 0.17 0.63 -0.51 4.44 4.52 2rlpA11 PRO 139 HB2 -0.57 -0.08 -0.19 -0.04 2.28 1.40 2rlpA11 PRO 139 HB3 -0.25 0.07 -0.02 -0.04 2.02 1.78 2rlpA11 PRO 139 HG2 -0.83 -0.03 -0.04 -0.04 2.03 1.09 2rlpA11 PRO 139 HG3 -0.22 0.09 -0.00 -0.04 2.03 1.86 2rlpA11 PRO 139 HD2 -0.21 0.05 0.21 -0.04 3.68 3.69 2rlpA11 PRO 139 HD3 -0.17 0.46 0.22 -0.04 3.65 4.12 2rlpA11 ILE 140 H -0.17 0.31 0.25 -0.55 8.25 8.09 2rlpA11 ILE 140 HA -0.05 0.24 0.87 -0.75 4.18 4.49 2rlpA11 ILE 140 HB -0.05 -0.12 0.13 -0.04 1.89 1.82 2rlpA11 ILE 140 HG12 -0.02 -0.03 -0.03 -0.04 1.49 1.37 2rlpA11 ILE 140 HG13 -0.03 0.10 -0.14 -0.04 1.21 1.09 2rlpA11 ILE 140 HG23 -0.00 0.01 -0.20 -0.04 0.93 0.70 2rlpA11 ILE 140 HD13 -0.07 -0.02 -0.01 -0.04 0.88 0.74 2rlpA11 CYS 141 H 0.14 0.26 0.07 -0.55 8.50 8.42 2rlpA11 CYS 141 HA 0.08 0.10 0.79 -0.75 4.58 4.80 2rlpA11 CYS 141 HB2 0.12 0.03 -0.09 -0.04 2.97 2.99 2rlpA11 CYS 141 HB3 0.33 -0.00 -0.10 -0.04 2.97 3.15 2rlpA11 GLU 142 H 0.09 0.16 0.04 -0.55 8.60 8.34 2rlpA11 GLU 142 HA 0.21 0.16 0.37 -0.75 4.29 4.27 2rlpA11 GLU 142 HB2 0.04 -0.00 -0.13 -0.04 2.09 1.95 2rlpA11 GLU 142 HB3 0.06 -0.01 -0.02 -0.04 1.99 1.98 2rlpA11 GLU 142 HG2 -0.01 0.09 -0.02 -0.04 2.34 2.36 2rlpA11 GLU 142 HG3 -0.00 -0.03 -0.52 -0.04 2.34 1.74