============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 5 1.000 62.151 75.463 26.326 -99.200 -91.000 HIS 9 0.900 62.708 68.839 17.018 -99.200 -91.000 HIS 13 0.900 62.764 67.023 26.713 -99.200 -91.000 HIS 18 0.900 56.382 63.392 35.031 -99.200 -91.000 PHE 28 1.000 58.781 85.431 42.921 -99.200 -91.000 PHE 30 1.000 53.013 77.005 37.520 -99.200 -91.000 PHE 41 1.000 53.557 76.848 47.439 -99.200 -91.000 TRP 48 1.040 46.758 80.953 39.690 -99.200 -91.000 TRP6 48 1.020 47.118 78.827 38.892 -99.200 -91.000 TRP 79 1.040 43.110 74.069 36.114 -99.200 -91.000 TRP6 79 1.020 44.784 75.101 34.797 -99.200 -91.000 TYR 90 0.840 51.875 78.510 22.135 -99.200 -91.000 TYR 103 0.840 55.701 85.406 27.033 -99.200 -91.000 TRP 108 1.040 65.163 85.426 13.718 -99.200 -91.000 TRP6 108 1.020 66.479 85.201 15.534 -99.200 -91.000 TYR 129 0.840 57.900 92.959 28.464 -99.200 -91.000 HIS 135 0.900 63.714 94.938 35.187 -99.200 -91.000 HIS 140 0.900 72.576 98.334 28.696 -99.200 -91.000 TYR 150 0.840 74.538 75.040 24.759 -99.200 -91.000 PHE 163 1.000 81.798 83.898 22.890 -99.200 -91.000 TRP 170 1.040 73.571 83.414 14.886 -99.200 -91.000 TRP6 170 1.020 72.939 85.018 16.496 -99.200 -91.000 TRP 202 1.040 70.822 90.876 13.412 -99.200 -91.000 TRP6 202 1.020 69.506 90.191 15.139 -99.200 -91.000 TYR 213 0.840 55.852 89.554 20.429 -99.200 -91.000 PHE 215 1.000 67.076 86.302 22.113 -99.200 -91.000 TYR 226 0.840 59.657 80.201 21.709 -99.200 -91.000 TRP 231 1.040 46.224 81.431 31.338 -99.200 -91.000 TRP6 231 1.020 47.459 80.703 33.148 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1dlpA1 ASN 1 HA 0.07 -0.04 0.16 -0.75 4.76 4.20 1dlpA1 ASN 1 HB2 0.11 0.12 0.09 -0.04 2.88 3.15 1dlpA1 ASN 1 HB3 0.09 -0.29 0.18 -0.04 2.79 2.73 1dlpA1 ASN 1 HD21 0.14 -0.00 0.00 -0.04 7.03 7.13 1dlpA1 ASN 1 HD22 0.21 0.06 0.01 -0.04 7.74 7.97 1dlpA1 ASN 2 H 0.06 -0.12 0.16 -0.55 8.53 8.08 1dlpA1 ASN 2 HA 0.05 0.04 0.68 -0.75 4.76 4.78 1dlpA1 ASN 2 HB2 0.05 -0.01 -0.14 -0.04 2.88 2.75 1dlpA1 ASN 2 HB3 0.05 0.17 -0.92 -0.04 2.79 2.05 1dlpA1 ASN 2 HD21 0.03 -0.02 -0.14 -0.04 7.03 6.86 1dlpA1 ASN 2 HD22 0.04 -0.16 -0.06 -0.04 7.74 7.52 1dlpA1 ILE 3 H 0.01 0.00 0.10 -0.55 8.25 7.82 1dlpA1 ILE 3 HA -0.08 0.39 0.21 -0.75 4.18 3.94 1dlpA1 ILE 3 HB -0.07 -0.02 0.02 -0.04 1.89 1.78 1dlpA1 ILE 3 HG12 -0.82 0.03 -0.18 -0.04 1.49 0.48 1dlpA1 ILE 3 HG13 -0.25 -0.03 -0.12 -0.04 1.21 0.77 1dlpA1 ILE 3 HG23 0.06 0.06 -0.00 -0.04 0.93 1.01 1dlpA1 ILE 3 HD13 -0.12 -0.00 -0.09 -0.04 0.88 0.63 1dlpA1 LEU 4 H -0.20 0.20 -0.04 -0.55 8.37 7.78 1dlpA1 LEU 4 HA 0.07 -0.06 0.27 -0.75 4.35 3.88 1dlpA1 LEU 4 HB2 0.07 0.18 -0.02 -0.04 1.64 1.83 1dlpA1 LEU 4 HB3 0.03 0.05 -0.36 -0.04 1.64 1.32 1dlpA1 LEU 4 HG 0.07 -0.09 -0.23 -0.04 1.64 1.35 1dlpA1 LEU 4 HD13 0.07 -0.03 -0.28 -0.04 0.93 0.65 1dlpA1 LEU 4 HD23 0.04 -0.02 -0.57 -0.04 0.89 0.29 1dlpA1 PHE 5 H 0.28 0.22 -0.14 -0.55 8.34 8.15 1dlpA1 PHE 5 HA -0.02 0.07 0.16 -0.75 4.62 4.07 1dlpA1 PHE 5 HB2 -0.08 0.20 0.08 -0.04 3.15 3.31 1dlpA1 PHE 5 HB3 -0.07 0.04 0.19 -0.04 3.06 3.18 1dlpA1 PHE 5 HD2 -0.01 0.02 -0.15 -0.04 7.28 7.09 1dlpA1 PHE 5 HE2 0.07 0.02 -0.14 -0.04 7.38 7.29 1dlpA1 PHE 5 HZ 0.04 -0.01 -0.07 -0.04 7.32 7.23 1dlpA1 GLY 6 H 0.07 0.06 0.16 -0.55 8.43 8.17 1dlpA1 GLY 6 HA2 0.03 0.16 1.16 -0.51 4.01 4.84 1dlpA1 GLY 6 HA3 0.01 0.11 0.40 -0.51 4.01 4.02 1dlpA1 LEU 7 H 0.00 0.52 0.23 -0.55 8.37 8.58 1dlpA1 LEU 7 HA 0.02 -0.05 0.41 -0.75 4.35 3.98 1dlpA1 LEU 7 HB2 -0.00 0.04 0.02 -0.04 1.64 1.65 1dlpA1 LEU 7 HB3 0.01 -0.07 0.00 -0.04 1.64 1.54 1dlpA1 LEU 7 HG 0.00 0.12 0.17 -0.04 1.64 1.89 1dlpA1 LEU 7 HD13 -0.01 -0.03 -0.15 -0.04 0.93 0.69 1dlpA1 LEU 7 HD23 0.02 -0.01 -0.03 -0.04 0.89 0.82 1dlpA1 SER 8 H 0.04 0.10 -0.00 -0.55 8.46 8.05 1dlpA1 SER 8 HA 0.05 -0.08 0.70 -0.75 4.49 4.41 1dlpA1 SER 8 HB2 0.05 -0.02 0.02 -0.04 3.95 3.95 1dlpA1 SER 8 HB3 0.04 -0.04 0.07 -0.04 3.93 3.96 1dlpA1 HIS 9 H 0.11 0.14 0.22 -0.55 8.41 8.33 1dlpA1 HIS 9 HA -0.09 0.20 0.39 -0.75 4.63 4.38 1dlpA1 HIS 9 HB2 -0.02 0.01 0.15 -0.04 3.26 3.36 1dlpA1 HIS 9 HB3 -0.03 -0.02 -0.04 -0.04 3.20 3.07 1dlpA1 HIS 9 HD2 -0.05 -0.23 0.08 -0.04 6.97 6.72 1dlpA1 HIS 9 HE1 -0.02 0.01 -0.06 -0.04 7.75 7.64 1dlpA1 GLU 10 H 0.45 0.14 0.06 -0.55 8.60 8.71 1dlpA1 GLU 10 HA -0.44 0.00 0.34 -0.75 4.29 3.44 1dlpA1 GLU 10 HB2 -0.12 0.03 0.16 -0.04 2.09 2.12 1dlpA1 GLU 10 HB3 -0.06 -0.00 0.03 -0.04 1.99 1.93 1dlpA1 GLU 10 HG2 0.20 -0.02 0.09 -0.04 2.34 2.56 1dlpA1 GLU 10 HG3 -0.00 -0.02 0.01 -0.04 2.34 2.29 1dlpA1 GLY 11 H -0.29 0.71 0.44 -0.55 8.43 8.74 1dlpA1 GLY 11 HA2 -0.41 0.03 0.13 -0.51 4.01 3.24 1dlpA1 GLY 11 HA3 -0.00 -0.10 0.30 -0.51 4.01 3.70 1dlpA1 SER 12 H -0.43 0.04 -0.33 -0.55 8.46 7.19 1dlpA1 SER 12 HA -0.30 0.10 0.68 -0.75 4.49 4.22 1dlpA1 SER 12 HB2 -1.66 -0.04 0.11 -0.04 3.95 2.33 1dlpA1 SER 12 HB3 -0.89 -0.09 0.12 -0.04 3.93 3.03 1dlpA1 HIS 13 H -0.04 0.23 0.23 -0.55 8.41 8.28 1dlpA1 HIS 13 HA 0.08 0.58 0.54 -0.75 4.63 5.07 1dlpA1 HIS 13 HB2 -0.00 0.04 -0.17 -0.04 3.26 3.09 1dlpA1 HIS 13 HB3 0.04 -0.10 -0.22 -0.04 3.20 2.88 1dlpA1 HIS 13 HD2 -0.05 0.17 -0.42 -0.04 6.97 6.62 1dlpA1 HIS 13 HE1 -0.01 -0.03 -0.06 -0.04 7.75 7.60 1dlpA1 PRO 14 HA 0.20 0.08 0.27 -0.51 4.44 4.47 1dlpA1 PRO 14 HB2 0.15 0.00 0.01 -0.04 2.28 2.40 1dlpA1 PRO 14 HB3 0.12 -0.06 0.01 -0.04 2.02 2.05 1dlpA1 PRO 14 HG2 0.12 0.13 0.11 -0.04 2.03 2.34 1dlpA1 PRO 14 HG3 0.13 0.02 0.18 -0.04 2.03 2.32 1dlpA1 PRO 14 HD2 0.18 0.16 0.12 -0.04 3.68 4.10 1dlpA1 PRO 14 HD3 0.15 0.16 0.38 -0.04 3.65 4.30 1dlpA1 GLN 15 H 0.15 -0.76 0.40 -0.55 8.47 7.71 1dlpA1 GLN 15 HA 0.07 0.28 0.24 -0.75 4.36 4.19 1dlpA1 GLN 15 HB2 0.26 -0.15 -0.05 -0.04 2.15 2.17 1dlpA1 GLN 15 HB3 0.05 -0.03 0.05 -0.04 2.02 2.05 1dlpA1 GLN 15 HG2 -0.12 0.07 0.04 -0.04 2.40 2.34 1dlpA1 GLN 15 HG3 -0.86 0.01 -0.01 -0.04 2.39 1.49 1dlpA1 GLN 15 HE21 -0.02 0.06 0.04 -0.04 6.97 7.01 1dlpA1 GLN 15 HE22 -0.16 -0.11 -0.08 -0.04 7.69 7.30 1dlpA1 THR 16 H 0.10 -0.67 0.32 -0.55 8.28 7.49 1dlpA1 THR 16 HA -0.01 0.04 0.63 -0.75 4.39 4.30 1dlpA1 THR 16 HB 0.01 0.01 0.01 -0.04 4.32 4.31 1dlpA1 THR 16 HG23 -0.56 -0.03 -0.29 -0.04 1.22 0.30 1dlpA1 LEU 17 H -0.08 0.01 0.25 -0.55 8.37 7.99 1dlpA1 LEU 17 HA 0.03 0.38 1.17 -0.75 4.35 5.18 1dlpA1 LEU 17 HB2 -0.03 -0.06 0.13 -0.04 1.64 1.63 1dlpA1 LEU 17 HB3 0.03 0.27 0.25 -0.04 1.64 2.16 1dlpA1 LEU 17 HG 0.02 -0.07 -0.03 -0.04 1.64 1.52 1dlpA1 LEU 17 HD13 0.07 0.03 -0.06 -0.04 0.93 0.92 1dlpA1 LEU 17 HD23 0.07 -0.01 -0.27 -0.04 0.89 0.64 1dlpA1 HIS 18 H 0.11 0.33 0.13 -0.55 8.41 8.44 1dlpA1 HIS 18 HA -0.00 0.20 0.97 -0.75 4.63 5.04 1dlpA1 HIS 18 HB2 0.00 0.04 -0.05 -0.04 3.26 3.21 1dlpA1 HIS 18 HB3 -0.00 -0.02 0.11 -0.04 3.20 3.24 1dlpA1 HIS 18 HD2 0.02 0.06 -0.10 -0.04 6.97 6.90 1dlpA1 HIS 18 HE1 0.01 0.03 -0.06 -0.04 7.75 7.68 1dlpA1 ALA 19 H 0.17 0.19 0.18 -0.55 8.40 8.39 1dlpA1 ALA 19 HA 0.03 0.01 0.31 -0.75 4.34 3.93 1dlpA1 ALA 19 HB3 0.09 0.04 0.15 -0.04 1.41 1.64 1dlpA1 ALA 20 H 0.04 0.36 0.60 -0.55 8.40 8.86 1dlpA1 ALA 20 HA 0.00 -0.02 0.17 -0.75 4.34 3.74 1dlpA1 ALA 20 HB3 0.00 -0.05 0.24 -0.04 1.41 1.56 1dlpA1 GLN 21 H 0.02 0.61 0.38 -0.55 8.47 8.94 1dlpA1 GLN 21 HA 0.03 0.11 0.30 -0.75 4.36 4.05 1dlpA1 GLN 21 HB2 0.07 0.14 0.36 -0.04 2.15 2.69 1dlpA1 GLN 21 HB3 0.05 -0.06 0.28 -0.04 2.02 2.26 1dlpA1 GLN 21 HG2 0.07 0.17 0.01 -0.04 2.40 2.61 1dlpA1 GLN 21 HG3 0.06 0.03 -0.02 -0.04 2.39 2.42 1dlpA1 GLN 21 HE21 0.25 0.00 0.02 -0.04 6.97 7.21 1dlpA1 GLN 21 HE22 0.11 0.17 0.14 -0.04 7.69 8.07 1dlpA1 SER 22 H 0.03 0.16 0.23 -0.55 8.46 8.33 1dlpA1 SER 22 HA 0.05 0.00 0.65 -0.75 4.49 4.44 1dlpA1 SER 22 HB2 0.07 0.17 -0.14 -0.04 3.95 4.01 1dlpA1 SER 22 HB3 0.03 -0.09 -0.01 -0.04 3.93 3.82 1dlpA1 LEU 23 H 0.17 0.84 0.41 -0.55 8.37 9.24 1dlpA1 LEU 23 HA 0.11 0.17 0.64 -0.75 4.35 4.52 1dlpA1 LEU 23 HB2 0.29 0.07 0.23 -0.04 1.64 2.18 1dlpA1 LEU 23 HB3 0.12 0.01 0.06 -0.04 1.64 1.79 1dlpA1 LEU 23 HG 0.19 -0.12 -0.07 -0.04 1.64 1.60 1dlpA1 LEU 23 HD13 0.08 -0.00 -0.35 -0.04 0.93 0.62 1dlpA1 LEU 23 HD23 0.09 0.04 -0.00 -0.04 0.89 0.97 1dlpA1 GLU 24 H 0.08 0.55 0.19 -0.55 8.60 8.88 1dlpA1 GLU 24 HA 0.12 0.08 0.91 -0.75 4.29 4.64 1dlpA1 GLU 24 HB2 0.06 0.05 0.11 -0.04 2.09 2.27 1dlpA1 GLU 24 HB3 0.05 -0.06 -0.07 -0.04 1.99 1.86 1dlpA1 GLU 24 HG2 0.04 -0.04 -0.03 -0.04 2.34 2.28 1dlpA1 GLU 24 HG3 0.06 -0.00 0.02 -0.04 2.34 2.38 1dlpA1 LEU 25 H 0.14 0.25 -0.15 -0.55 8.37 8.07 1dlpA1 LEU 25 HA 0.03 0.13 0.61 -0.75 4.35 4.36 1dlpA1 LEU 25 HB2 0.12 0.00 -0.18 -0.04 1.64 1.54 1dlpA1 LEU 25 HB3 -0.08 -0.01 -0.60 -0.04 1.64 0.91 1dlpA1 LEU 25 HG -0.02 -0.04 -0.12 -0.04 1.64 1.42 1dlpA1 LEU 25 HD13 -0.00 -0.05 0.04 -0.04 0.93 0.88 1dlpA1 LEU 25 HD23 0.09 0.00 -0.27 -0.04 0.89 0.67 1dlpA1 SER 26 H -0.06 0.07 0.04 -0.55 8.46 7.96 1dlpA1 SER 26 HA -0.05 0.01 0.22 -0.75 4.49 3.92 1dlpA1 SER 26 HB2 -0.13 -0.02 0.19 -0.04 3.95 3.94 1dlpA1 SER 26 HB3 -0.34 0.04 0.30 -0.04 3.93 3.89 1dlpA1 SER 27 H -0.00 0.07 0.00 -0.55 8.46 7.98 1dlpA1 SER 27 HA 0.04 -0.10 0.49 -0.75 4.49 4.16 1dlpA1 SER 27 HB2 0.02 -0.13 0.05 -0.04 3.95 3.85 1dlpA1 SER 27 HB3 -0.10 0.00 -0.43 -0.04 3.93 3.36 1dlpA1 PHE 28 H -0.11 0.51 0.10 -0.55 8.34 8.28 1dlpA1 PHE 28 HA 0.09 0.13 0.91 -0.75 4.62 4.99 1dlpA1 PHE 28 HB2 0.04 -0.04 0.09 -0.04 3.15 3.21 1dlpA1 PHE 28 HB3 0.06 -0.13 0.12 -0.04 3.06 3.08 1dlpA1 PHE 28 HD2 0.04 0.01 -0.10 -0.04 7.28 7.18 1dlpA1 PHE 28 HE2 0.03 -0.09 0.04 -0.04 7.38 7.31 1dlpA1 PHE 28 HZ 0.02 0.01 0.03 -0.04 7.32 7.34 1dlpA1 ARG 29 H 0.27 0.16 0.08 -0.55 8.46 8.42 1dlpA1 ARG 29 HA 0.17 0.15 0.63 -0.75 4.34 4.53 1dlpA1 ARG 29 HB2 0.21 -0.06 0.17 -0.04 1.90 2.17 1dlpA1 ARG 29 HB3 0.11 -0.02 0.06 -0.04 1.80 1.91 1dlpA1 ARG 29 HG2 0.06 0.05 -0.11 -0.04 1.67 1.63 1dlpA1 ARG 29 HG3 0.06 0.07 -0.07 -0.04 1.67 1.69 1dlpA1 ARG 29 HD2 -0.01 -0.04 -0.06 -0.04 3.22 3.07 1dlpA1 ARG 29 HD3 -0.08 -0.01 -0.04 -0.04 3.22 3.04 1dlpA1 PHE 30 H 0.27 0.66 0.15 -0.55 8.34 8.87 1dlpA1 PHE 30 HA 0.15 0.43 0.85 -0.75 4.62 5.30 1dlpA1 PHE 30 HB2 0.04 0.00 -0.02 -0.04 3.15 3.13 1dlpA1 PHE 30 HB3 0.03 -0.02 0.03 -0.04 3.06 3.06 1dlpA1 PHE 30 HD2 -0.04 -0.01 -0.16 -0.04 7.28 7.03 1dlpA1 PHE 30 HE2 -0.19 0.01 -0.22 -0.04 7.38 6.94 1dlpA1 PHE 30 HZ -0.08 0.01 -0.21 -0.04 7.32 6.99 1dlpA1 THR 31 H 0.15 0.39 0.00 -0.55 8.28 8.27 1dlpA1 THR 31 HA 0.01 0.05 0.43 -0.75 4.39 4.13 1dlpA1 THR 31 HB 0.02 -0.03 -0.20 -0.04 4.32 4.07 1dlpA1 THR 31 HG23 0.03 0.05 -0.12 -0.04 1.22 1.14 1dlpA1 MET 32 H -0.08 0.35 -0.14 -0.55 8.47 8.05 1dlpA1 MET 32 HA -0.17 0.03 0.41 -0.75 4.52 4.03 1dlpA1 MET 32 HB2 -0.08 -0.04 -0.13 -0.04 2.15 1.86 1dlpA1 MET 32 HB3 -0.03 -0.00 -0.38 -0.04 2.03 1.58 1dlpA1 MET 32 HG2 -0.10 0.00 -0.22 -0.04 2.63 2.26 1dlpA1 MET 32 HG3 -0.05 0.04 -0.41 -0.04 2.56 2.10 1dlpA1 MET 32 HE3 -0.11 0.00 -0.44 -0.04 2.10 1.51 1dlpA1 GLN 33 H -0.05 0.54 0.05 -0.55 8.47 8.47 1dlpA1 GLN 33 HA -0.01 0.40 0.40 -0.75 4.36 4.39 1dlpA1 GLN 33 HB2 0.01 -0.07 0.13 -0.04 2.15 2.18 1dlpA1 GLN 33 HB3 0.01 0.10 -0.16 -0.04 2.02 1.93 1dlpA1 GLN 33 HG2 0.08 0.06 -0.13 -0.04 2.40 2.36 1dlpA1 GLN 33 HG3 0.03 0.15 -0.10 -0.04 2.39 2.43 1dlpA1 GLN 33 HE21 0.09 -0.02 -0.06 -0.04 6.97 6.94 1dlpA1 GLN 33 HE22 0.18 0.08 -0.08 -0.04 7.69 7.83 1dlpA1 SER 34 H -0.00 0.21 0.11 -0.55 8.46 8.24 1dlpA1 SER 34 HA -0.00 0.12 0.44 -0.75 4.49 4.29 1dlpA1 SER 34 HB2 0.00 -0.01 0.17 -0.04 3.95 4.07 1dlpA1 SER 34 HB3 -0.00 0.06 0.20 -0.04 3.93 4.15 1dlpA1 ASP 35 H -0.01 -0.01 -0.55 -0.55 8.40 7.28 1dlpA1 ASP 35 HA -0.01 0.33 0.63 -0.75 4.63 4.82 1dlpA1 ASP 35 HB2 -0.01 -0.19 0.32 -0.04 2.71 2.79 1dlpA1 ASP 35 HB3 -0.01 0.08 0.00 -0.04 2.70 2.73 1dlpA1 CYS 36 H -0.03 0.47 0.09 -0.55 8.50 8.49 1dlpA1 CYS 36 HA -0.04 0.03 0.18 -0.75 4.58 3.99 1dlpA1 CYS 36 HB2 -0.03 0.38 0.15 -0.04 2.97 3.43 1dlpA1 CYS 36 HB3 -0.04 -0.02 0.10 -0.04 2.97 2.97 1dlpA1 ASN 37 H -0.05 -0.07 -0.46 -0.55 8.53 7.41 1dlpA1 ASN 37 HA -0.14 0.02 0.32 -0.75 4.76 4.19 1dlpA1 ASN 37 HB2 -0.06 0.06 -0.22 -0.04 2.88 2.61 1dlpA1 ASN 37 HB3 -0.05 0.04 -0.03 -0.04 2.79 2.70 1dlpA1 ASN 37 HD21 -0.12 0.01 0.02 -0.04 7.03 6.90 1dlpA1 ASN 37 HD22 -0.06 0.08 -0.06 -0.04 7.74 7.66 1dlpA1 LEU 38 H -0.21 0.07 -0.04 -0.55 8.37 7.64 1dlpA1 LEU 38 HA -0.23 0.14 0.62 -0.75 4.35 4.13 1dlpA1 LEU 38 HB2 -0.40 0.08 0.00 -0.04 1.64 1.28 1dlpA1 LEU 38 HB3 -0.21 -0.03 0.13 -0.04 1.64 1.48 1dlpA1 LEU 38 HG -0.30 0.02 -0.21 -0.04 1.64 1.11 1dlpA1 LEU 38 HD13 -0.58 0.01 -0.15 -0.04 0.93 0.17 1dlpA1 LEU 38 HD23 -0.32 0.02 -0.16 -0.04 0.89 0.38 1dlpA1 VAL 39 H -0.07 0.43 -0.02 -0.55 8.24 8.03 1dlpA1 VAL 39 HA 0.24 0.19 0.65 -0.75 4.13 4.45 1dlpA1 VAL 39 HB 0.15 0.05 0.06 -0.04 2.12 2.34 1dlpA1 VAL 39 HG13 -0.36 0.01 -0.24 -0.04 0.97 0.35 1dlpA1 VAL 39 HG23 -0.04 -0.07 -0.35 -0.04 0.95 0.44 1dlpA1 LEU 40 H 0.26 0.86 0.40 -0.55 8.37 9.34 1dlpA1 LEU 40 HA 0.31 0.29 1.24 -0.75 4.35 5.44 1dlpA1 LEU 40 HB2 0.20 -0.03 0.10 -0.04 1.64 1.87 1dlpA1 LEU 40 HB3 0.07 -0.18 -0.12 -0.04 1.64 1.37 1dlpA1 LEU 40 HG -0.02 0.01 -0.22 -0.04 1.64 1.38 1dlpA1 LEU 40 HD13 -0.09 -0.00 -0.21 -0.04 0.93 0.60 1dlpA1 LEU 40 HD23 -0.12 0.00 -0.10 -0.04 0.89 0.63 1dlpA1 PHE 41 H 0.34 0.78 0.46 -0.55 8.34 9.36 1dlpA1 PHE 41 HA 0.06 0.01 1.24 -0.75 4.62 5.17 1dlpA1 PHE 41 HB2 0.08 -0.00 0.05 -0.04 3.15 3.24 1dlpA1 PHE 41 HB3 0.07 0.29 -0.36 -0.04 3.06 3.01 1dlpA1 PHE 41 HD2 0.06 0.25 -0.23 -0.04 7.28 7.32 1dlpA1 PHE 41 HE2 0.02 -0.08 -0.15 -0.04 7.38 7.13 1dlpA1 PHE 41 HZ 0.01 -0.10 -0.12 -0.04 7.32 7.08 1dlpA1 ASP 42 H 0.15 0.32 0.16 -0.55 8.40 8.48 1dlpA1 ASP 42 HA 0.30 0.11 0.59 -0.75 4.63 4.88 1dlpA1 ASP 42 HB2 0.03 -0.07 0.07 -0.04 2.71 2.70 1dlpA1 ASP 42 HB3 0.12 -0.03 0.22 -0.04 2.70 2.96 1dlpA1 SER 43 H 0.17 0.48 0.17 -0.55 8.46 8.74 1dlpA1 SER 43 HA 0.07 -0.12 0.41 -0.75 4.49 4.09 1dlpA1 SER 43 HB2 0.09 -0.45 0.26 -0.04 3.95 3.80 1dlpA1 SER 43 HB3 0.07 -0.12 0.07 -0.04 3.93 3.92 1dlpA1 ASP 44 H 0.10 -0.11 0.02 -0.55 8.40 7.86 1dlpA1 ASP 44 HA 0.13 0.17 0.86 -0.75 4.63 5.04 1dlpA1 ASP 44 HB2 0.06 -0.00 0.13 -0.04 2.71 2.85 1dlpA1 ASP 44 HB3 0.08 -0.07 0.20 -0.04 2.70 2.87 1dlpA1 VAL 45 H 0.08 0.02 0.08 -0.55 8.24 7.87 1dlpA1 VAL 45 HA 0.05 -0.17 0.41 -0.75 4.13 3.66 1dlpA1 VAL 45 HB 0.08 0.14 0.14 -0.04 2.12 2.44 1dlpA1 VAL 45 HG13 0.03 -0.00 -0.04 -0.04 0.97 0.92 1dlpA1 VAL 45 HG23 0.04 -0.02 0.10 -0.04 0.95 1.03 1dlpA1 ARG 46 H -0.00 0.11 0.07 -0.55 8.46 8.08 1dlpA1 ARG 46 HA -0.36 0.18 0.80 -0.75 4.34 4.21 1dlpA1 ARG 46 HB2 -0.06 -0.06 -0.10 -0.04 1.90 1.64 1dlpA1 ARG 46 HB3 -0.07 -0.01 0.16 -0.04 1.80 1.84 1dlpA1 ARG 46 HG2 -0.18 0.01 -0.13 -0.04 1.67 1.32 1dlpA1 ARG 46 HG3 -0.51 0.09 -0.07 -0.04 1.67 1.13 1dlpA1 ARG 46 HD2 -0.07 -0.02 -0.05 -0.04 3.22 3.04 1dlpA1 ARG 46 HD3 -0.14 -0.05 -0.09 -0.04 3.22 2.89 1dlpA1 VAL 47 H -0.10 0.24 0.21 -0.55 8.24 8.04 1dlpA1 VAL 47 HA -0.02 0.58 2.43 -0.75 4.13 6.37 1dlpA1 VAL 47 HB -0.01 0.02 -0.09 -0.04 2.12 2.00 1dlpA1 VAL 47 HG13 0.01 0.00 0.07 -0.04 0.97 1.00 1dlpA1 VAL 47 HG23 -0.05 -0.01 -0.15 -0.04 0.95 0.70 1dlpA1 TRP 48 H 0.25 0.21 0.30 -0.55 7.97 8.19 1dlpA1 TRP 48 HA -0.03 0.14 0.50 -0.75 4.62 4.47 1dlpA1 TRP 48 HB2 -0.02 0.07 0.12 -0.04 3.23 3.37 1dlpA1 TRP 48 HB3 0.02 -0.09 0.12 -0.04 3.23 3.23 1dlpA1 TRP 48 HD1 0.02 0.00 0.11 -0.04 7.22 7.32 1dlpA1 TRP 48 HE1 0.18 0.01 0.07 -0.04 10.20 10.41 1dlpA1 TRP 48 HE3 0.08 -0.23 -0.58 -0.04 7.59 6.82 1dlpA1 TRP 48 HZ2 0.80 0.02 -0.01 -0.04 7.44 8.20 1dlpA1 TRP 48 HZ3 -0.14 0.03 -0.32 -0.04 7.13 6.65 1dlpA1 TRP 48 HH2 -0.13 -0.04 -0.11 -0.04 7.19 6.87 1dlpA1 ALA 49 H -1.05 0.24 0.21 -0.55 8.40 7.26 1dlpA1 ALA 49 HA -0.23 0.39 0.31 -0.75 4.34 4.05 1dlpA1 ALA 49 HB3 -0.14 0.02 0.14 -0.04 1.41 1.39 1dlpA1 SER 50 H -0.37 -0.13 0.27 -0.55 8.46 7.68 1dlpA1 SER 50 HA -0.48 0.21 0.61 -0.75 4.49 4.07 1dlpA1 SER 50 HB2 -1.23 0.09 0.08 -0.04 3.95 2.84 1dlpA1 SER 50 HB3 -1.01 0.09 0.09 -0.04 3.93 3.06 1dlpA1 ASN 51 H -0.29 -0.38 0.22 -0.55 8.53 7.54 1dlpA1 ASN 51 HA -0.13 -0.06 0.34 -0.75 4.76 4.16 1dlpA1 ASN 51 HB2 -0.06 0.27 0.43 -0.04 2.88 3.48 1dlpA1 ASN 51 HB3 -0.08 -0.05 0.19 -0.04 2.79 2.80 1dlpA1 ASN 51 HD21 -0.13 -0.01 -0.11 -0.04 7.03 6.73 1dlpA1 ASN 51 HD22 -0.07 0.02 -0.04 -0.04 7.74 7.61 1dlpA1 THR 52 H -0.15 -0.09 -0.20 -0.55 8.28 7.29 1dlpA1 THR 52 HA 0.00 0.34 0.72 -0.75 4.39 4.70 1dlpA1 THR 52 HB -0.02 0.04 0.16 -0.04 4.32 4.46 1dlpA1 THR 52 HG23 0.13 0.04 -0.06 -0.04 1.22 1.29 1dlpA1 ALA 53 H -0.04 0.08 -0.41 -0.55 8.40 7.48 1dlpA1 ALA 53 HA -0.03 0.48 1.11 -0.75 4.34 5.15 1dlpA1 ALA 53 HB3 -0.04 -0.09 0.03 -0.04 1.41 1.27 1dlpA1 GLY 54 H -0.02 0.27 0.26 -0.55 8.43 8.40 1dlpA1 GLY 54 HA2 -0.01 -0.05 0.38 -0.51 4.01 3.83 1dlpA1 GLY 54 HA3 -0.01 -0.01 0.24 -0.51 4.01 3.73 1dlpA1 ALA 55 H -0.01 0.15 -0.01 -0.55 8.40 7.98 1dlpA1 ALA 55 HA -0.00 0.05 0.32 -0.75 4.34 3.95 1dlpA1 ALA 55 HB3 -0.00 0.09 -0.10 -0.04 1.41 1.36 1dlpA1 THR 56 H 0.00 0.20 0.11 -0.55 8.28 8.05 1dlpA1 THR 56 HA -0.00 -0.05 -0.46 -0.75 4.39 3.12 1dlpA1 THR 56 HB 0.00 0.02 0.15 -0.04 4.32 4.45 1dlpA1 THR 56 HG23 0.00 -0.03 0.28 -0.04 1.22 1.43 1dlpA1 GLY 57 H 0.01 0.23 0.16 -0.55 8.43 8.27 1dlpA1 GLY 57 HA2 0.02 0.09 0.33 -0.51 4.01 3.94 1dlpA1 GLY 57 HA3 0.02 0.02 0.25 -0.51 4.01 3.80 1dlpA1 CYS 58 H -0.00 0.00 -0.07 -0.55 8.50 7.88 1dlpA1 CYS 58 HA -0.00 0.43 0.56 -0.75 4.58 4.81 1dlpA1 CYS 58 HB2 -0.01 0.00 0.10 -0.04 2.97 3.02 1dlpA1 CYS 58 HB3 -0.03 0.09 -0.03 -0.04 2.97 2.96 1dlpA1 ARG 59 H -0.02 0.44 0.36 -0.55 8.46 8.68 1dlpA1 ARG 59 HA -0.05 0.28 1.04 -0.75 4.34 4.86 1dlpA1 ARG 59 HB2 -0.22 0.24 0.37 -0.04 1.90 2.26 1dlpA1 ARG 59 HB3 -0.16 -0.09 0.26 -0.04 1.80 1.78 1dlpA1 ARG 59 HG2 -0.12 0.00 -0.21 -0.04 1.67 1.30 1dlpA1 ARG 59 HG3 -0.38 -0.07 -0.08 -0.04 1.67 1.10 1dlpA1 ARG 59 HD2 -0.02 -0.01 -0.07 -0.04 3.22 3.08 1dlpA1 ARG 59 HD3 -0.02 0.07 -0.07 -0.04 3.22 3.16 1dlpA1 ALA 60 H -0.10 0.57 0.24 -0.55 8.40 8.57 1dlpA1 ALA 60 HA -0.04 0.19 0.87 -0.75 4.34 4.60 1dlpA1 ALA 60 HB3 -0.10 0.01 -0.01 -0.04 1.41 1.27 1dlpA1 VAL 61 H -0.06 -0.19 0.20 -0.55 8.24 7.63 1dlpA1 VAL 61 HA -0.01 -0.03 0.54 -0.75 4.13 3.88 1dlpA1 VAL 61 HB -0.03 -0.01 -0.33 -0.04 2.12 1.71 1dlpA1 VAL 61 HG13 -0.01 -0.01 -0.17 -0.04 0.97 0.73 1dlpA1 VAL 61 HG23 -0.03 -0.04 0.12 -0.04 0.95 0.97 1dlpA1 LEU 62 H -0.00 0.27 0.18 -0.55 8.37 8.27 1dlpA1 LEU 62 HA -0.03 0.46 1.39 -0.75 4.35 5.41 1dlpA1 LEU 62 HB2 -0.02 -0.04 -0.37 -0.04 1.64 1.17 1dlpA1 LEU 62 HB3 -0.02 0.01 -0.15 -0.04 1.64 1.45 1dlpA1 LEU 62 HG -0.09 0.05 -0.40 -0.04 1.64 1.15 1dlpA1 LEU 62 HD13 -0.11 0.00 -0.46 -0.04 0.93 0.31 1dlpA1 LEU 62 HD23 0.02 0.01 -0.56 -0.04 0.89 0.32 1dlpA1 GLN 63 H -0.11 0.69 0.19 -0.55 8.47 8.68 1dlpA1 GLN 63 HA -0.06 0.08 -1.18 -0.75 4.36 2.45 1dlpA1 GLN 63 HB2 -0.14 0.40 0.27 -0.04 2.15 2.63 1dlpA1 GLN 63 HB3 -0.17 -0.52 0.25 -0.04 2.02 1.53 1dlpA1 GLN 63 HG2 -0.07 -0.08 0.02 -0.04 2.40 2.24 1dlpA1 GLN 63 HG3 -0.06 0.04 -0.11 -0.04 2.39 2.22 1dlpA1 GLN 63 HE21 -0.06 -0.00 -0.04 -0.04 6.97 6.83 1dlpA1 GLN 63 HE22 -0.04 0.02 -0.06 -0.04 7.69 7.57 1dlpA1 SER 64 H -0.10 0.13 0.06 -0.55 8.46 8.00 1dlpA1 SER 64 HA -0.02 0.43 0.98 -0.75 4.49 5.13 1dlpA1 SER 64 HB2 -0.01 -0.07 -0.02 -0.04 3.95 3.80 1dlpA1 SER 64 HB3 -0.02 0.01 -0.12 -0.04 3.93 3.76 1dlpA1 ASP 65 H -0.25 -0.06 -0.19 -0.55 8.40 7.36 1dlpA1 ASP 65 HA -0.06 0.28 0.36 -0.75 4.63 4.46 1dlpA1 ASP 65 HB2 -0.04 0.18 0.13 -0.04 2.71 2.94 1dlpA1 ASP 65 HB3 -0.04 0.08 -0.34 -0.04 2.70 2.36 1dlpA1 GLY 66 H -0.84 0.21 -0.32 -0.55 8.43 6.93 1dlpA1 GLY 66 HA2 -1.11 0.11 0.10 -0.51 4.01 2.60 1dlpA1 GLY 66 HA3 -0.54 0.07 -0.10 -0.51 4.01 2.92 1dlpA1 LEU 67 H -0.21 -0.18 -0.24 -0.55 8.37 7.19 1dlpA1 LEU 67 HA -0.23 0.40 1.20 -0.75 4.35 4.97 1dlpA1 LEU 67 HB2 -0.13 -0.11 -0.07 -0.04 1.64 1.29 1dlpA1 LEU 67 HB3 -0.18 0.06 -0.10 -0.04 1.64 1.39 1dlpA1 LEU 67 HG -0.16 0.29 0.00 -0.04 1.64 1.74 1dlpA1 LEU 67 HD13 -0.12 -0.00 -0.03 -0.04 0.93 0.73 1dlpA1 LEU 67 HD23 -0.17 -0.07 0.07 -0.04 0.89 0.68 1dlpA1 LEU 68 H -0.26 0.08 0.21 -0.55 8.37 7.85 1dlpA1 LEU 68 HA -0.05 0.20 0.51 -0.75 4.35 4.25 1dlpA1 LEU 68 HB2 -0.08 0.03 -0.18 -0.04 1.64 1.37 1dlpA1 LEU 68 HB3 -0.25 -0.03 0.03 -0.04 1.64 1.35 1dlpA1 LEU 68 HG 0.14 0.05 -0.15 -0.04 1.64 1.64 1dlpA1 LEU 68 HD13 0.06 0.03 -0.23 -0.04 0.93 0.74 1dlpA1 LEU 68 HD23 0.06 -0.01 -0.18 -0.04 0.89 0.72 1dlpA1 VAL 69 H 0.05 0.62 0.32 -0.55 8.24 8.67 1dlpA1 VAL 69 HA 0.25 0.07 0.55 -0.75 4.13 4.24 1dlpA1 VAL 69 HB 0.06 -0.05 -0.10 -0.04 2.12 1.99 1dlpA1 VAL 69 HG13 -0.04 -0.02 -0.09 -0.04 0.97 0.78 1dlpA1 VAL 69 HG23 0.01 0.01 -0.10 -0.04 0.95 0.83 1dlpA1 ILE 70 H 0.31 0.43 0.15 -0.55 8.25 8.59 1dlpA1 ILE 70 HA 0.01 0.24 0.83 -0.75 4.18 4.52 1dlpA1 ILE 70 HB 0.11 -0.05 0.10 -0.04 1.89 2.00 1dlpA1 ILE 70 HG12 -0.10 -0.01 -0.10 -0.04 1.49 1.24 1dlpA1 ILE 70 HG13 0.28 0.06 -0.02 -0.04 1.21 1.48 1dlpA1 ILE 70 HG23 -0.04 -0.00 -0.21 -0.04 0.93 0.63 1dlpA1 ILE 70 HD13 -0.56 0.01 -0.10 -0.04 0.88 0.19 1dlpA1 LEU 71 H 0.01 0.62 0.25 -0.55 8.37 8.70 1dlpA1 LEU 71 HA 0.02 -0.24 0.30 -0.75 4.35 3.68 1dlpA1 LEU 71 HB2 -0.01 0.21 0.11 -0.04 1.64 1.91 1dlpA1 LEU 71 HB3 -0.00 -0.04 -0.02 -0.04 1.64 1.54 1dlpA1 LEU 71 HG 0.01 0.11 -0.15 -0.04 1.64 1.56 1dlpA1 LEU 71 HD13 -0.00 -0.00 -0.07 -0.04 0.93 0.81 1dlpA1 LEU 71 HD23 0.01 -0.02 -0.09 -0.04 0.89 0.74 1dlpA1 THR 72 H 0.01 0.05 -0.03 -0.55 8.28 7.76 1dlpA1 THR 72 HA 0.01 0.39 1.30 -0.75 4.39 5.34 1dlpA1 THR 72 HB 0.02 0.28 -0.03 -0.04 4.32 4.55 1dlpA1 THR 72 HG23 0.01 -0.84 -0.09 -0.04 1.22 0.25 1dlpA1 ALA 73 H 0.01 0.40 0.01 -0.55 8.40 8.27 1dlpA1 ALA 73 HA 0.02 0.07 0.32 -0.75 4.34 3.99 1dlpA1 ALA 73 HB3 0.01 0.19 0.17 -0.04 1.41 1.74 1dlpA1 GLN 74 H 0.01 -0.00 -0.35 -0.55 8.47 7.58 1dlpA1 GLN 74 HA 0.01 0.31 1.27 -0.75 4.36 5.20 1dlpA1 GLN 74 HB2 0.01 -0.08 -0.00 -0.04 2.15 2.04 1dlpA1 GLN 74 HB3 0.01 -0.03 0.00 -0.04 2.02 1.96 1dlpA1 GLN 74 HG2 0.00 -0.01 0.10 -0.04 2.40 2.45 1dlpA1 GLN 74 HG3 0.01 0.05 0.06 -0.04 2.39 2.47 1dlpA1 GLN 74 HE21 0.00 -0.00 -0.05 -0.04 6.97 6.88 1dlpA1 GLN 74 HE22 0.01 0.02 -0.19 -0.04 7.69 7.48 1dlpA1 ASN 75 H 0.01 1.36 0.27 -0.55 8.53 9.63 1dlpA1 ASN 75 HA 0.01 -0.02 0.22 -0.75 4.76 4.22 1dlpA1 ASN 75 HB2 0.01 0.07 -0.26 -0.04 2.88 2.66 1dlpA1 ASN 75 HB3 0.00 -0.02 0.16 -0.04 2.79 2.88 1dlpA1 ASN 75 HD21 0.01 -0.00 -0.05 -0.04 7.03 6.94 1dlpA1 ASN 75 HD22 0.01 0.00 -0.02 -0.04 7.74 7.68 1dlpA1 THR 76 H 0.01 0.06 -0.16 -0.55 8.28 7.63 1dlpA1 THR 76 HA 0.00 0.49 1.11 -0.75 4.39 5.24 1dlpA1 THR 76 HB 0.01 0.06 -0.16 -0.04 4.32 4.18 1dlpA1 THR 76 HG23 0.00 0.04 -0.18 -0.04 1.22 1.05 1dlpA1 ILE 77 H 0.01 0.20 0.13 -0.55 8.25 8.04 1dlpA1 ILE 77 HA 0.04 0.06 0.05 -0.75 4.18 3.57 1dlpA1 ILE 77 HB 0.00 0.02 0.12 -0.04 1.89 2.00 1dlpA1 ILE 77 HG12 -0.01 -0.01 -0.04 -0.04 1.49 1.39 1dlpA1 ILE 77 HG13 0.01 -0.03 0.04 -0.04 1.21 1.18 1dlpA1 ILE 77 HG23 0.00 0.00 -0.08 -0.04 0.93 0.82 1dlpA1 ILE 77 HD13 -0.02 0.01 0.02 -0.04 0.88 0.85 1dlpA1 ARG 78 H 0.07 0.64 0.18 -0.55 8.46 8.80 1dlpA1 ARG 78 HA 0.06 0.01 0.04 -0.75 4.34 3.69 1dlpA1 ARG 78 HB2 0.09 0.06 0.01 -0.04 1.90 2.02 1dlpA1 ARG 78 HB3 0.09 0.00 0.15 -0.04 1.80 2.00 1dlpA1 ARG 78 HG2 0.02 -0.12 -0.07 -0.04 1.67 1.45 1dlpA1 ARG 78 HG3 0.02 0.03 -0.05 -0.04 1.67 1.62 1dlpA1 ARG 78 HD2 -0.00 -0.11 -0.06 -0.04 3.22 3.00 1dlpA1 ARG 78 HD3 0.01 0.12 -0.01 -0.04 3.22 3.30 1dlpA1 TRP 79 H 0.19 0.11 -0.57 -0.55 7.97 7.15 1dlpA1 TRP 79 HA -0.02 0.02 0.50 -0.75 4.62 4.37 1dlpA1 TRP 79 HB2 -0.02 0.18 -0.31 -0.04 3.23 3.04 1dlpA1 TRP 79 HB3 -0.02 -0.18 -0.07 -0.04 3.23 2.92 1dlpA1 TRP 79 HD1 -0.03 0.07 0.05 -0.04 7.22 7.27 1dlpA1 TRP 79 HE1 -0.02 -0.02 0.09 -0.04 10.20 10.21 1dlpA1 TRP 79 HE3 -0.04 -0.29 -0.38 -0.04 7.59 6.85 1dlpA1 TRP 79 HZ2 0.49 -0.05 0.03 -0.04 7.44 7.88 1dlpA1 TRP 79 HZ3 -0.17 -0.07 -0.48 -0.04 7.13 6.37 1dlpA1 TRP 79 HH2 -0.20 -0.07 -0.09 -0.04 7.19 6.79 1dlpA1 SER 80 H -0.67 0.18 0.15 -0.55 8.46 7.58 1dlpA1 SER 80 HA -0.20 0.12 0.66 -0.75 4.49 4.32 1dlpA1 SER 80 HB2 -0.27 0.01 0.08 -0.04 3.95 3.72 1dlpA1 SER 80 HB3 -0.45 0.08 -0.06 -0.04 3.93 3.45 1dlpA1 SER 81 H -0.46 0.09 0.29 -0.55 8.46 7.84 1dlpA1 SER 81 HA -0.68 0.16 0.71 -0.75 4.49 3.92 1dlpA1 SER 81 HB2 -1.15 0.03 0.13 -0.04 3.95 2.92 1dlpA1 SER 81 HB3 -0.55 0.09 0.04 -0.04 3.93 3.48 1dlpA1 GLY 82 H -0.22 0.15 0.30 -0.55 8.43 8.11 1dlpA1 GLY 82 HA2 -0.14 -0.09 0.16 -0.51 4.01 3.43 1dlpA1 GLY 82 HA3 -0.11 0.14 0.14 -0.51 4.01 3.67 1dlpA1 THR 83 H -0.14 -0.19 0.09 -0.55 8.28 7.49 1dlpA1 THR 83 HA -0.01 0.28 1.06 -0.75 4.39 4.97 1dlpA1 THR 83 HB 0.10 0.08 -0.06 -0.04 4.32 4.40 1dlpA1 THR 83 HG23 0.06 0.05 -0.00 -0.04 1.22 1.28 1dlpA1 LYS 84 H -0.01 0.43 0.32 -0.55 8.42 8.61 1dlpA1 LYS 84 HA -0.09 0.33 0.60 -0.75 4.32 4.41 1dlpA1 LYS 84 HB2 -0.08 -0.01 -0.31 -0.04 1.87 1.43 1dlpA1 LYS 84 HB3 -0.05 -0.02 -0.29 -0.04 1.79 1.39 1dlpA1 LYS 84 HG2 -0.02 0.09 -0.24 -0.04 1.46 1.24 1dlpA1 LYS 84 HG3 -0.05 -0.01 0.04 -0.04 1.46 1.39 1dlpA1 LYS 84 HD2 -0.04 -0.05 -0.06 -0.04 1.69 1.50 1dlpA1 LYS 84 HD3 -0.02 -0.01 -0.04 -0.04 1.68 1.57 1dlpA1 LYS 84 HE2 -0.04 -0.06 -0.01 -0.04 2.99 2.85 1dlpA1 LYS 84 HE3 -0.02 -0.05 -0.01 -0.04 2.99 2.87 1dlpA1 GLY 85 H -0.04 0.13 -0.04 -0.55 8.43 7.93 1dlpA1 GLY 85 HA2 0.04 0.20 0.96 -0.51 4.01 4.70 1dlpA1 GLY 85 HA3 0.10 -0.06 0.33 -0.51 4.01 3.88 1dlpA1 SER 86 H 0.18 0.12 0.08 -0.55 8.46 8.29 1dlpA1 SER 86 HA 0.06 0.22 0.81 -0.75 4.49 4.82 1dlpA1 SER 86 HB2 0.09 0.09 0.19 -0.04 3.95 4.29 1dlpA1 SER 86 HB3 0.06 -0.05 0.22 -0.04 3.93 4.12 1dlpA1 ILE 87 H 0.06 0.06 0.13 -0.55 8.25 7.94 1dlpA1 ILE 87 HA 0.06 0.02 0.71 -0.75 4.18 4.21 1dlpA1 ILE 87 HB 0.03 -0.08 -0.09 -0.04 1.89 1.71 1dlpA1 ILE 87 HG12 0.03 -0.10 0.23 -0.04 1.49 1.61 1dlpA1 ILE 87 HG13 0.04 0.58 0.59 -0.04 1.21 2.38 1dlpA1 ILE 87 HG23 0.03 -0.03 0.12 -0.04 0.93 1.01 1dlpA1 ILE 87 HD13 0.01 -0.07 0.03 -0.04 0.88 0.81 1dlpA1 GLY 88 H 0.06 0.02 0.16 -0.55 8.43 8.12 1dlpA1 GLY 88 HA2 0.07 -0.14 0.21 -0.51 4.01 3.64 1dlpA1 GLY 88 HA3 0.06 -0.30 0.63 -0.51 4.01 3.90 1dlpA1 ASN 89 H 0.02 -0.11 0.23 -0.55 8.53 8.12 1dlpA1 ASN 89 HA 0.06 0.14 0.73 -0.75 4.76 4.92 1dlpA1 ASN 89 HB2 0.03 -0.20 0.28 -0.04 2.88 2.95 1dlpA1 ASN 89 HB3 -0.07 0.07 0.09 -0.04 2.79 2.85 1dlpA1 ASN 89 HD21 0.05 -0.04 -0.05 -0.04 7.03 6.95 1dlpA1 ASN 89 HD22 0.14 -0.01 -0.01 -0.04 7.74 7.82 1dlpA1 TYR 90 H 0.20 0.20 0.15 -0.55 8.29 8.28 1dlpA1 TYR 90 HA -0.21 0.29 -0.01 -0.75 4.56 3.88 1dlpA1 TYR 90 HB2 -0.10 -0.09 -0.18 -0.04 3.06 2.65 1dlpA1 TYR 90 HB3 -0.09 0.37 0.01 -0.04 2.98 3.22 1dlpA1 TYR 90 HD2 -0.05 0.05 -0.77 -0.04 7.15 6.34 1dlpA1 TYR 90 HE2 -0.02 0.12 -0.43 -0.04 6.85 6.48 1dlpA1 VAL 91 H -0.22 0.17 0.08 -0.55 8.24 7.71 1dlpA1 VAL 91 HA -0.31 0.14 0.27 -0.75 4.13 3.48 1dlpA1 VAL 91 HB -0.14 -0.03 0.00 -0.04 2.12 1.91 1dlpA1 VAL 91 HG13 -0.56 -0.00 -0.13 -0.04 0.97 0.23 1dlpA1 VAL 91 HG23 -0.03 -0.02 -0.07 -0.04 0.95 0.79 1dlpA1 LEU 92 H -0.12 0.25 -0.02 -0.55 8.37 7.93 1dlpA1 LEU 92 HA -0.01 0.17 0.60 -0.75 4.35 4.36 1dlpA1 LEU 92 HB2 -0.01 -0.02 -0.12 -0.04 1.64 1.45 1dlpA1 LEU 92 HB3 -0.02 -0.02 -0.05 -0.04 1.64 1.51 1dlpA1 LEU 92 HG -0.16 0.03 -0.35 -0.04 1.64 1.12 1dlpA1 LEU 92 HD13 0.05 -0.02 -0.24 -0.04 0.93 0.68 1dlpA1 LEU 92 HD23 -0.06 -0.02 -0.31 -0.04 0.89 0.46 1dlpA1 VAL 93 H 0.02 0.22 0.10 -0.55 8.24 8.03 1dlpA1 VAL 93 HA -0.04 0.29 1.01 -0.75 4.13 4.64 1dlpA1 VAL 93 HB 0.01 -0.11 -0.00 -0.04 2.12 1.97 1dlpA1 VAL 93 HG13 0.20 -0.01 -0.06 -0.04 0.97 1.06 1dlpA1 VAL 93 HG23 0.02 0.00 -0.30 -0.04 0.95 0.63 1dlpA1 LEU 94 H -0.02 0.57 0.18 -0.55 8.37 8.56 1dlpA1 LEU 94 HA -0.15 0.18 0.62 -0.75 4.35 4.24 1dlpA1 LEU 94 HB2 -0.10 -0.03 0.01 -0.04 1.64 1.49 1dlpA1 LEU 94 HB3 0.01 0.08 0.17 -0.04 1.64 1.86 1dlpA1 LEU 94 HG 0.12 -0.01 -0.34 -0.04 1.64 1.38 1dlpA1 LEU 94 HD13 -0.02 -0.00 -0.15 -0.04 0.93 0.72 1dlpA1 LEU 94 HD23 0.17 0.00 -0.42 -0.04 0.89 0.60 1dlpA1 GLN 95 H 0.00 0.43 0.10 -0.55 8.47 8.45 1dlpA1 GLN 95 HA 0.03 0.06 0.41 -0.75 4.36 4.11 1dlpA1 GLN 95 HB2 -0.02 0.20 -0.11 -0.04 2.15 2.18 1dlpA1 GLN 95 HB3 0.01 -0.11 -0.38 -0.04 2.02 1.50 1dlpA1 GLN 95 HG2 0.01 0.02 -0.19 -0.04 2.40 2.21 1dlpA1 GLN 95 HG3 0.02 -0.07 -0.39 -0.04 2.39 1.91 1dlpA1 GLN 95 HE21 0.11 0.08 -0.21 -0.04 6.97 6.90 1dlpA1 GLN 95 HE22 -0.00 -0.06 -0.29 -0.04 7.69 7.30 1dlpA1 PRO 96 HA 0.18 0.08 0.23 -0.51 4.44 4.42 1dlpA1 PRO 96 HB2 0.06 0.13 0.14 -0.04 2.28 2.57 1dlpA1 PRO 96 HB3 0.04 0.01 0.11 -0.04 2.02 2.14 1dlpA1 PRO 96 HG2 0.01 -0.03 0.18 -0.04 2.03 2.15 1dlpA1 PRO 96 HG3 0.03 0.08 0.10 -0.04 2.03 2.20 1dlpA1 PRO 96 HD2 0.00 0.11 0.07 -0.04 3.68 3.83 1dlpA1 PRO 96 HD3 0.02 0.16 0.19 -0.04 3.65 3.99 1dlpA1 ASP 97 H 0.03 0.13 -0.23 -0.55 8.40 7.79 1dlpA1 ASP 97 HA 0.08 0.11 0.58 -0.75 4.63 4.64 1dlpA1 ASP 97 HB2 0.01 0.05 0.14 -0.04 2.71 2.87 1dlpA1 ASP 97 HB3 0.02 -0.06 -0.03 -0.04 2.70 2.60 1dlpA1 ARG 98 H 0.39 0.24 -0.27 -0.55 8.46 8.27 1dlpA1 ARG 98 HA -0.38 0.00 0.12 -0.75 4.34 3.33 1dlpA1 ARG 98 HB2 -0.12 -0.03 -0.46 -0.04 1.90 1.25 1dlpA1 ARG 98 HB3 -0.21 -0.00 0.24 -0.04 1.80 1.79 1dlpA1 ARG 98 HG2 -0.68 -0.05 -0.01 -0.04 1.67 0.88 1dlpA1 ARG 98 HG3 -1.48 0.01 0.00 -0.04 1.67 0.17 1dlpA1 ARG 98 HD2 -0.29 -0.05 -0.04 -0.04 3.22 2.81 1dlpA1 ARG 98 HD3 -0.11 0.01 -0.05 -0.04 3.22 3.03 1dlpA1 THR 99 H -0.06 0.03 -0.48 -0.55 8.28 7.22 1dlpA1 THR 99 HA -0.21 0.29 1.30 -0.75 4.39 5.02 1dlpA1 THR 99 HB -0.09 0.07 -0.23 -0.04 4.32 4.03 1dlpA1 THR 99 HG23 -0.10 0.01 -0.24 -0.04 1.22 0.85 1dlpA1 VAL 100 H -0.35 0.13 0.25 -0.55 8.24 7.72 1dlpA1 VAL 100 HA -0.26 0.21 1.02 -0.75 4.13 4.35 1dlpA1 VAL 100 HB -0.42 -0.10 -0.11 -0.04 2.12 1.45 1dlpA1 VAL 100 HG13 -0.72 0.02 -0.11 -0.04 0.97 0.12 1dlpA1 VAL 100 HG23 -1.00 -0.02 -0.18 -0.04 0.95 -0.29 1dlpA1 THR 101 H -0.11 0.55 0.19 -0.55 8.28 8.36 1dlpA1 THR 101 HA -0.06 0.41 0.79 -0.75 4.39 4.77 1dlpA1 THR 101 HB -0.11 -0.09 -0.18 -0.04 4.32 3.89 1dlpA1 THR 101 HG23 -0.62 -0.01 -0.31 -0.04 1.22 0.24 1dlpA1 ILE 102 H -0.09 0.18 0.15 -0.55 8.25 7.94 1dlpA1 ILE 102 HA -0.07 0.14 0.75 -0.75 4.18 4.25 1dlpA1 ILE 102 HB 0.09 -0.11 -0.02 -0.04 1.89 1.81 1dlpA1 ILE 102 HG12 0.04 0.11 -0.30 -0.04 1.49 1.30 1dlpA1 ILE 102 HG13 0.16 -0.23 -0.38 -0.04 1.21 0.72 1dlpA1 ILE 102 HG23 0.09 0.05 -0.19 -0.04 0.93 0.84 1dlpA1 ILE 102 HD13 0.06 -0.01 -0.20 -0.04 0.88 0.70 1dlpA1 TYR 103 H 0.16 0.13 0.03 -0.55 8.29 8.06 1dlpA1 TYR 103 HA 0.00 0.34 0.89 -0.75 4.56 5.04 1dlpA1 TYR 103 HB2 0.04 -0.21 -0.49 -0.04 3.06 2.36 1dlpA1 TYR 103 HB3 -0.07 0.31 -0.34 -0.04 2.98 2.84 1dlpA1 TYR 103 HD2 0.01 0.15 -0.03 -0.04 7.15 7.24 1dlpA1 TYR 103 HE2 0.04 -0.04 -0.17 -0.04 6.85 6.64 1dlpA1 GLY 104 H -0.09 0.38 -0.06 -0.55 8.43 8.11 1dlpA1 GLY 104 HA2 -0.44 0.01 0.51 -0.51 4.01 3.58 1dlpA1 GLY 104 HA3 -1.89 -0.08 -0.68 -0.51 4.01 0.85 1dlpA1 PRO 105 HA -0.21 -0.06 0.32 -0.51 4.44 3.98 1dlpA1 PRO 105 HB2 -0.04 0.20 -0.32 -0.04 2.28 2.07 1dlpA1 PRO 105 HB3 -0.01 -0.06 0.06 -0.04 2.02 1.96 1dlpA1 PRO 105 HG2 0.00 0.07 0.02 -0.04 2.03 2.08 1dlpA1 PRO 105 HG3 0.01 -0.20 0.07 -0.04 2.03 1.88 1dlpA1 PRO 105 HD2 -0.07 0.39 -0.24 -0.04 3.68 3.72 1dlpA1 PRO 105 HD3 -0.03 -0.02 0.39 -0.04 3.65 3.95 1dlpA1 GLY 106 H 0.04 -0.09 0.17 -0.55 8.43 8.01 1dlpA1 GLY 106 HA2 0.27 0.22 0.99 -0.51 4.01 4.97 1dlpA1 GLY 106 HA3 0.31 -0.05 0.33 -0.51 4.01 4.09 1dlpA1 LEU 107 H 0.01 0.75 0.55 -0.55 8.37 9.13 1dlpA1 LEU 107 HA 0.08 0.04 0.95 -0.75 4.35 4.67 1dlpA1 LEU 107 HB2 0.08 0.15 -0.46 -0.04 1.64 1.37 1dlpA1 LEU 107 HB3 0.10 -0.02 -0.34 -0.04 1.64 1.34 1dlpA1 LEU 107 HG 0.17 0.03 -0.36 -0.04 1.64 1.44 1dlpA1 LEU 107 HD13 0.10 -0.04 -0.16 -0.04 0.93 0.79 1dlpA1 LEU 107 HD23 0.25 0.00 -0.17 -0.04 0.89 0.93 1dlpA1 TRP 108 H 0.22 0.16 0.40 -0.55 7.97 8.21 1dlpA1 TRP 108 HA -0.01 0.13 0.29 -0.75 4.62 4.29 1dlpA1 TRP 108 HB2 0.01 0.13 0.39 -0.04 3.23 3.72 1dlpA1 TRP 108 HB3 0.02 0.02 0.17 -0.04 3.23 3.40 1dlpA1 TRP 108 HD1 0.03 0.06 0.20 -0.04 7.22 7.47 1dlpA1 TRP 108 HE1 0.19 0.00 0.06 -0.04 10.20 10.42 1dlpA1 TRP 108 HE3 0.02 -0.11 -0.09 -0.04 7.59 7.38 1dlpA1 TRP 108 HZ2 0.46 0.03 -0.08 -0.04 7.44 7.81 1dlpA1 TRP 108 HZ3 0.12 -0.06 -0.31 -0.04 7.13 6.83 1dlpA1 TRP 108 HH2 -0.04 -0.03 -0.16 -0.04 7.19 6.91 1dlpA1 ASP 109 H -0.59 0.21 0.18 -0.55 8.40 7.65 1dlpA1 ASP 109 HA -0.53 0.25 0.84 -0.75 4.63 4.44 1dlpA1 ASP 109 HB2 -0.48 -0.47 0.23 -0.04 2.71 1.94 1dlpA1 ASP 109 HB3 -0.33 0.08 0.25 -0.04 2.70 2.66 1dlpA1 SER 110 H -0.69 0.21 0.28 -0.55 8.46 7.71 1dlpA1 SER 110 HA -0.97 0.15 0.04 -0.75 4.49 2.95 1dlpA1 SER 110 HB2 -0.62 -0.03 -0.07 -0.04 3.95 3.19 1dlpA1 SER 110 HB3 -1.24 0.10 0.01 -0.04 3.93 2.75 1dlpA1 GLY 111 H -0.50 -0.07 -0.12 -0.55 8.43 7.20 1dlpA1 GLY 111 HA2 -0.25 -0.06 0.30 -0.51 4.01 3.49 1dlpA1 GLY 111 HA3 -0.18 0.12 0.55 -0.51 4.01 3.99 1dlpA1 THR 112 H -0.28 0.00 0.09 -0.55 8.28 7.55 1dlpA1 THR 112 HA -0.09 0.27 0.71 -0.75 4.39 4.52 1dlpA1 THR 112 HB -0.08 0.03 0.17 -0.04 4.32 4.40 1dlpA1 THR 112 HG23 -0.36 -0.03 -0.30 -0.04 1.22 0.49 1dlpA1 SER 113 H -0.10 0.08 -0.06 -0.55 8.46 7.84 1dlpA1 SER 113 HA -0.13 0.32 0.78 -0.75 4.49 4.70 1dlpA1 SER 113 HB2 -0.08 -0.02 0.03 -0.04 3.95 3.84 1dlpA1 SER 113 HB3 -0.14 0.00 -0.14 -0.04 3.93 3.62 1dlpA1 ASN 114 H -0.07 0.27 0.08 -0.55 8.53 8.26 1dlpA1 ASN 114 HA -0.01 0.16 0.97 -0.75 4.76 5.13 1dlpA1 ASN 114 HB2 -0.07 0.02 -0.10 -0.04 2.88 2.70 1dlpA1 ASN 114 HB3 0.06 -0.09 0.04 -0.04 2.79 2.75 1dlpA1 ASN 114 HD21 0.10 0.03 -0.09 -0.04 7.03 7.03 1dlpA1 ASN 114 HD22 0.24 -0.15 -0.12 -0.04 7.74 7.67 1dlpA1 LYS 115 H -0.01 0.18 0.09 -0.55 8.42 8.12 1dlpA1 LYS 115 HA -0.00 0.14 0.68 -0.75 4.32 4.38 1dlpA1 LYS 115 HB2 -0.01 0.02 0.12 -0.04 1.87 1.95 1dlpA1 LYS 115 HB3 -0.03 0.05 0.10 -0.04 1.79 1.86 1dlpA1 LYS 115 HG2 -0.01 -0.04 0.12 -0.04 1.46 1.48 1dlpA1 LYS 115 HG3 -0.01 0.01 0.11 -0.04 1.46 1.54 1dlpA1 LYS 115 HD2 -0.05 -0.01 -0.01 -0.04 1.69 1.58 1dlpA1 LYS 115 HD3 -0.01 0.00 0.01 -0.04 1.68 1.65 1dlpA1 LYS 115 HE2 -0.01 -0.01 0.01 -0.04 2.99 2.93 1dlpA1 LYS 115 HE3 -0.01 0.00 0.02 -0.04 2.99 2.96 1dlpA1 GLY 116 H 0.03 0.45 0.22 -0.55 8.43 8.59 1dlpA1 GLY 116 HA2 0.02 0.04 0.26 -0.51 4.01 3.81 1dlpA1 GLY 116 HA3 0.04 0.01 0.42 -0.51 4.01 3.98 1dlpA1 SER 117 H 0.01 0.11 0.11 -0.55 8.46 8.15 1dlpA1 SER 117 HA -0.01 0.12 0.16 -0.75 4.49 4.01 1dlpA1 SER 117 HB2 -0.10 -0.02 -0.05 -0.04 3.95 3.75 1dlpA1 SER 117 HB3 -0.05 0.03 0.11 -0.04 3.93 3.99 1dlpA1 VAL 118 H 0.08 0.04 -0.01 -0.55 8.24 7.79 1dlpA1 VAL 118 HA 0.20 -0.09 0.39 -0.75 4.13 3.88 1dlpA1 VAL 118 HB 0.03 -0.06 -0.52 -0.04 2.12 1.53 1dlpA1 VAL 118 HG13 0.04 0.02 0.17 -0.04 0.97 1.16 1dlpA1 VAL 118 HG23 0.06 0.00 0.09 -0.04 0.95 1.07 1dlpA1 VAL 119 H -0.07 -0.16 0.19 -0.55 8.24 7.65 1dlpA1 VAL 119 HA 0.00 0.16 0.20 -0.75 4.13 3.75 1dlpA1 VAL 119 HB -0.05 -0.14 0.15 -0.04 2.12 2.04 1dlpA1 VAL 119 HG13 -0.05 0.13 0.06 -0.04 0.97 1.07 1dlpA1 VAL 119 HG23 -0.19 -0.03 -0.03 -0.04 0.95 0.66 1dlpA1 VAL 120 H -0.00 -0.05 0.00 -0.55 8.24 7.64 1dlpA1 VAL 120 HA 0.03 0.04 0.27 -0.75 4.13 3.71 1dlpA1 VAL 120 HB 0.05 0.70 1.05 -0.04 2.12 3.87 1dlpA1 VAL 120 HG13 0.05 -0.02 0.13 -0.04 0.97 1.09 1dlpA1 VAL 120 HG23 0.05 -0.02 0.05 -0.04 0.95 0.99 1dlpA1 ALA 121 H 0.01 0.14 0.11 -0.55 8.40 8.12 1dlpA1 ALA 121 HA 0.01 0.27 0.79 -0.75 4.34 4.65 1dlpA1 ALA 121 HB3 0.00 -0.01 0.11 -0.04 1.41 1.47 1dlpA1 ASN 122 H 0.02 0.09 -0.24 -0.55 8.53 7.85 1dlpA1 ASN 122 HA 0.02 0.14 0.40 -0.75 4.76 4.57 1dlpA1 ASN 122 HB2 0.02 -0.06 -0.06 -0.04 2.88 2.73 1dlpA1 ASN 122 HB3 0.02 -0.12 0.31 -0.04 2.79 2.96 1dlpA1 ASN 122 HD21 0.01 -0.06 0.08 -0.04 7.03 7.01 1dlpA1 ASN 122 HD22 0.01 0.22 0.20 -0.04 7.74 8.13 1dlpA1 ASN 123 H 0.03 0.04 0.15 -0.55 8.53 8.21 1dlpA1 ASN 123 HA 0.04 0.24 -0.07 -0.75 4.76 4.21 1dlpA1 ASN 123 HB2 0.03 0.09 0.15 -0.04 2.88 3.11 1dlpA1 ASN 123 HB3 0.03 -0.51 0.34 -0.04 2.79 2.61 1dlpA1 ASN 123 HD21 0.01 -0.00 0.06 -0.04 7.03 7.05 1dlpA1 ASN 123 HD22 0.02 0.08 0.01 -0.04 7.74 7.81 1dlpA1 GLY 124 H 0.04 0.04 0.19 -0.55 8.43 8.16 1dlpA1 GLY 124 HA2 0.05 -0.12 0.48 -0.51 4.01 3.92 1dlpA1 GLY 124 HA3 0.04 0.02 0.46 -0.51 4.01 4.03 1dlpA1 ASN 125 H 0.06 0.12 0.15 -0.55 8.53 8.32 1dlpA1 ASN 125 HA 0.08 -0.05 0.60 -0.75 4.76 4.64 1dlpA1 ASN 125 HB2 0.07 -0.08 0.14 -0.04 2.88 2.97 1dlpA1 ASN 125 HB3 0.08 0.13 0.02 -0.04 2.79 2.98 1dlpA1 ASN 125 HD21 0.12 -0.03 -0.04 -0.04 7.03 7.05 1dlpA1 ASN 125 HD22 0.12 0.14 -0.00 -0.04 7.74 7.96 1dlpA1 SER 126 H 0.05 0.12 0.09 -0.55 8.46 8.18 1dlpA1 SER 126 HA 0.09 0.28 0.48 -0.75 4.49 4.58 1dlpA1 SER 126 HB2 0.02 0.16 -0.04 -0.04 3.95 4.06 1dlpA1 SER 126 HB3 0.03 -0.03 0.03 -0.04 3.93 3.92 1dlpA1 ILE 127 H 0.17 0.49 0.15 -0.55 8.25 8.51 1dlpA1 ILE 127 HA 0.03 0.14 0.75 -0.75 4.18 4.34 1dlpA1 ILE 127 HB 0.03 -0.06 -0.11 -0.04 1.89 1.72 1dlpA1 ILE 127 HG12 -0.06 0.08 -0.23 -0.04 1.49 1.24 1dlpA1 ILE 127 HG13 -0.06 -0.05 -0.25 -0.04 1.21 0.81 1dlpA1 ILE 127 HG23 0.14 0.11 0.06 -0.04 0.93 1.20 1dlpA1 ILE 127 HD13 -0.31 -0.02 -0.23 -0.04 0.88 0.27 1dlpA1 LEU 128 H -0.05 0.71 0.28 -0.55 8.37 8.76 1dlpA1 LEU 128 HA -0.31 0.17 0.31 -0.75 4.35 3.76 1dlpA1 LEU 128 HB2 -0.21 0.02 0.01 -0.04 1.64 1.42 1dlpA1 LEU 128 HB3 -0.57 0.08 0.09 -0.04 1.64 1.20 1dlpA1 LEU 128 HG -0.14 0.01 -0.64 -0.04 1.64 0.83 1dlpA1 LEU 128 HD13 -0.05 -0.04 -0.19 -0.04 0.93 0.61 1dlpA1 LEU 128 HD23 -0.14 -0.01 -0.14 -0.04 0.89 0.56 1dlpA1 TYR 129 H 0.04 -0.19 0.09 -0.55 8.29 7.67 1dlpA1 TYR 129 HA -0.03 -0.08 0.26 -0.75 4.56 3.96 1dlpA1 TYR 129 HB2 0.00 -0.06 0.23 -0.04 3.06 3.19 1dlpA1 TYR 129 HB3 0.05 -0.02 0.25 -0.04 2.98 3.22 1dlpA1 TYR 129 HD2 0.05 -0.01 -0.52 -0.04 7.15 6.62 1dlpA1 TYR 129 HE2 0.02 -0.16 -0.12 -0.04 6.85 6.55 1dlpA1 SER 130 HA 0.17 -0.01 0.39 -0.75 4.49 4.28 1dlpA1 SER 130 HB2 -0.05 0.00 0.05 -0.04 3.95 3.91 1dlpA1 SER 130 HB3 -0.07 0.00 0.00 -0.04 3.93 3.83 1dlpA1 THR 131 H 0.03 0.12 0.05 -0.55 8.28 7.94 1dlpA1 THR 131 HA -0.20 0.07 -0.43 -0.75 4.39 3.07 1dlpA1 THR 131 HB -0.48 0.10 0.23 -0.04 4.32 4.13 1dlpA1 THR 131 HG23 -0.06 -0.03 0.01 -0.04 1.22 1.10 1dlpA1 ASN 134 HA 0.03 0.27 0.32 -0.75 4.76 4.62 1dlpA1 ASN 134 HB2 0.02 0.01 0.07 -0.04 2.88 2.93 1dlpA1 ASN 134 HB3 0.02 0.04 0.21 -0.04 2.79 3.03 1dlpA1 ASN 134 HD21 0.03 0.06 0.02 -0.04 7.03 7.09 1dlpA1 ASN 134 HD22 0.03 0.01 0.03 -0.04 7.74 7.77 1dlpA1 ASP 135 H -0.01 0.15 -0.09 -0.55 8.40 7.91 1dlpA1 ASP 135 HA -0.14 0.08 -0.06 -0.75 4.63 3.75 1dlpA1 ASP 135 HB2 0.03 0.02 0.06 -0.04 2.71 2.78 1dlpA1 ASP 135 HB3 0.07 -0.02 0.15 -0.04 2.70 2.85 1dlpA1 ASN 136 H -0.24 0.68 -0.11 -0.55 8.53 8.32 1dlpA1 ASN 136 HA -0.06 -0.12 0.21 -0.75 4.76 4.04 1dlpA1 ASN 136 HB2 -0.03 0.10 -0.17 -0.04 2.88 2.74 1dlpA1 ASN 136 HB3 -0.14 0.14 -0.00 -0.04 2.79 2.74 1dlpA1 ASN 136 HD21 0.02 -1.39 -0.04 -0.04 7.03 5.58 1dlpA1 ASN 136 HD22 -0.01 0.17 -0.41 -0.04 7.74 7.45 1dlpA1 HIS 137 H -0.02 0.17 -0.11 -0.55 8.41 7.90 1dlpA1 HIS 137 HA -0.02 0.37 0.78 -0.75 4.63 5.01 1dlpA1 HIS 137 HB2 0.02 -0.02 -0.10 -0.04 3.26 3.12 1dlpA1 HIS 137 HB3 0.01 -0.04 -0.99 -0.04 3.20 2.13 1dlpA1 HIS 137 HD2 0.04 -0.05 -0.15 -0.04 6.97 6.77 1dlpA1 HIS 137 HE1 0.04 0.00 -0.13 -0.04 7.75 7.61 1dlpA1 PRO 138 HA 0.06 0.00 0.46 -0.51 4.44 4.45 1dlpA1 PRO 138 HB2 0.02 -0.13 0.17 -0.04 2.28 2.30 1dlpA1 PRO 138 HB3 0.00 0.02 -0.24 -0.04 2.02 1.75 1dlpA1 PRO 138 HG2 0.04 0.18 -0.06 -0.04 2.03 2.15 1dlpA1 PRO 138 HG3 0.03 -0.03 0.03 -0.04 2.03 2.02 1dlpA1 PRO 138 HD2 0.07 0.26 -0.02 -0.04 3.68 3.94 1dlpA1 PRO 138 HD3 0.05 0.00 0.40 -0.04 3.65 4.06 1dlpA1 GLN 139 H 0.05 0.07 0.29 -0.55 8.47 8.33 1dlpA1 GLN 139 HA 0.04 0.12 0.65 -0.75 4.36 4.42 1dlpA1 GLN 139 HB2 0.17 -0.13 -0.62 -0.04 2.15 1.52 1dlpA1 GLN 139 HB3 0.14 -0.04 0.14 -0.04 2.02 2.22 1dlpA1 GLN 139 HG2 0.17 0.05 0.22 -0.04 2.40 2.80 1dlpA1 GLN 139 HG3 0.13 0.13 -0.26 -0.04 2.39 2.36 1dlpA1 GLN 139 HE21 -0.13 -0.03 -0.22 -0.04 6.97 6.56 1dlpA1 GLN 139 HE22 0.03 -0.05 -0.16 -0.04 7.69 7.47 1dlpA1 THR 140 H -0.02 -0.24 0.21 -0.55 8.28 7.68 1dlpA1 THR 140 HA -0.11 0.26 0.84 -0.75 4.39 4.63 1dlpA1 THR 140 HB -0.04 0.10 -0.40 -0.04 4.32 3.94 1dlpA1 THR 140 HG23 -0.02 -0.02 0.03 -0.04 1.22 1.17 1dlpA1 LEU 141 H -0.16 0.84 0.39 -0.55 8.37 8.90 1dlpA1 LEU 141 HA -0.20 0.14 0.92 -0.75 4.35 4.45 1dlpA1 LEU 141 HB2 -0.10 0.08 0.18 -0.04 1.64 1.75 1dlpA1 LEU 141 HB3 -0.08 0.06 -0.28 -0.04 1.64 1.29 1dlpA1 LEU 141 HG -0.01 0.13 -0.45 -0.04 1.64 1.28 1dlpA1 LEU 141 HD13 -0.03 -0.05 -0.03 -0.04 0.93 0.77 1dlpA1 LEU 141 HD23 -0.04 0.02 -0.18 -0.04 0.89 0.65 1dlpA1 HIS 142 H -0.12 0.06 0.05 -0.55 8.41 7.86 1dlpA1 HIS 142 HA -0.00 0.33 1.32 -0.75 4.63 5.53 1dlpA1 HIS 142 HB2 0.00 -0.03 0.16 -0.04 3.26 3.36 1dlpA1 HIS 142 HB3 -0.00 0.08 0.16 -0.04 3.20 3.39 1dlpA1 HIS 142 HD2 -0.00 0.00 0.00 -0.04 6.97 6.93 1dlpA1 HIS 142 HE1 0.00 0.02 -0.10 -0.04 7.75 7.62 1dlpA1 ALA 143 H 0.12 0.34 0.27 -0.55 8.40 8.58 1dlpA1 ALA 143 HA 0.03 0.08 0.67 -0.75 4.34 4.38 1dlpA1 ALA 143 HB3 0.04 0.01 -0.19 -0.04 1.41 1.23 1dlpA1 THR 144 H 0.04 0.44 0.23 -0.55 8.28 8.44 1dlpA1 THR 144 HA 0.04 -0.05 0.35 -0.75 4.39 3.98 1dlpA1 THR 144 HB 0.03 -0.07 0.19 -0.04 4.32 4.43 1dlpA1 THR 144 HG23 0.03 -0.04 -0.28 -0.04 1.22 0.88 1dlpA1 GLN 145 H 0.05 0.20 -0.78 -0.55 8.47 7.39 1dlpA1 GLN 145 HA 0.04 0.06 0.64 -0.75 4.36 4.35 1dlpA1 GLN 145 HB2 0.06 -0.09 -0.02 -0.04 2.15 2.07 1dlpA1 GLN 145 HB3 0.02 -0.01 0.14 -0.04 2.02 2.13 1dlpA1 GLN 145 HG2 0.05 0.06 0.06 -0.04 2.40 2.52 1dlpA1 GLN 145 HG3 0.09 0.06 -0.03 -0.04 2.39 2.47 1dlpA1 GLN 145 HE21 0.06 0.10 0.10 -0.04 6.97 7.19 1dlpA1 GLN 145 HE22 0.09 0.03 0.08 -0.04 7.69 7.84 1dlpA1 SER 146 H 0.04 0.04 0.13 -0.55 8.46 8.13 1dlpA1 SER 146 HA 0.05 0.43 0.96 -0.75 4.49 5.18 1dlpA1 SER 146 HB2 0.05 -0.07 0.16 -0.04 3.95 4.05 1dlpA1 SER 146 HB3 0.06 -0.02 -0.32 -0.04 3.93 3.61 1dlpA1 LEU 147 H 0.05 0.06 0.09 -0.55 8.37 8.02 1dlpA1 LEU 147 HA 0.08 0.11 0.45 -0.75 4.35 4.23 1dlpA1 LEU 147 HB2 0.12 0.36 0.27 -0.04 1.64 2.35 1dlpA1 LEU 147 HB3 0.12 -0.06 0.03 -0.04 1.64 1.69 1dlpA1 LEU 147 HG 0.15 -0.05 -0.33 -0.04 1.64 1.37 1dlpA1 LEU 147 HD13 0.08 -0.01 -0.30 -0.04 0.93 0.66 1dlpA1 LEU 147 HD23 0.36 -0.00 -0.23 -0.04 0.89 0.97 1dlpA1 GLN 148 H 0.07 0.32 0.00 -0.55 8.47 8.32 1dlpA1 GLN 148 HA 0.10 0.08 0.67 -0.75 4.36 4.46 1dlpA1 GLN 148 HB2 0.06 0.04 -0.06 -0.04 2.15 2.15 1dlpA1 GLN 148 HB3 0.07 0.07 -0.09 -0.04 2.02 2.03 1dlpA1 GLN 148 HG2 0.08 0.06 -0.30 -0.04 2.40 2.20 1dlpA1 GLN 148 HG3 0.06 -0.10 -0.19 -0.04 2.39 2.12 1dlpA1 GLN 148 HE21 0.03 -0.01 -0.03 -0.04 6.97 6.93 1dlpA1 GLN 148 HE22 0.04 -0.00 -0.02 -0.04 7.69 7.67 1dlpA1 LEU 149 H 0.13 0.18 -0.01 -0.55 8.37 8.12 1dlpA1 LEU 149 HA 0.09 0.24 0.93 -0.75 4.35 4.85 1dlpA1 LEU 149 HB2 0.23 -0.12 0.18 -0.04 1.64 1.89 1dlpA1 LEU 149 HB3 0.14 -0.11 0.04 -0.04 1.64 1.67 1dlpA1 LEU 149 HG 0.11 0.05 -0.01 -0.04 1.64 1.75 1dlpA1 LEU 149 HD13 0.15 0.00 -0.15 -0.04 0.93 0.89 1dlpA1 LEU 149 HD23 0.09 0.04 -0.03 -0.04 0.89 0.95 1dlpA1 SER 150 H 0.09 -0.14 0.18 -0.55 8.46 8.04 1dlpA1 SER 150 HA 0.03 0.84 1.62 -0.75 4.49 6.22 1dlpA1 SER 150 HB2 -0.01 -0.02 0.05 -0.04 3.95 3.92 1dlpA1 SER 150 HB3 -0.01 0.00 -0.32 -0.04 3.93 3.57 1dlpA1 PRO 151 HA -0.05 0.21 0.44 -0.51 4.44 4.53 1dlpA1 PRO 151 HB2 -0.25 -0.01 0.13 -0.04 2.28 2.10 1dlpA1 PRO 151 HB3 -0.13 0.11 0.17 -0.04 2.02 2.12 1dlpA1 PRO 151 HG2 -0.55 0.06 0.08 -0.04 2.03 1.57 1dlpA1 PRO 151 HG3 -0.23 0.13 0.08 -0.04 2.03 1.97 1dlpA1 PRO 151 HD2 -0.94 -0.33 0.36 -0.04 3.68 2.73 1dlpA1 PRO 151 HD3 -0.39 0.16 0.23 -0.04 3.65 3.61 1dlpA1 TYR 152 H -0.20 0.01 0.17 -0.55 8.29 7.72 1dlpA1 TYR 152 HA 0.07 0.30 0.37 -0.75 4.56 4.55 1dlpA1 TYR 152 HB2 0.03 -0.39 0.28 -0.04 3.06 2.94 1dlpA1 TYR 152 HB3 0.03 0.14 0.04 -0.04 2.98 3.15 1dlpA1 TYR 152 HD2 0.02 0.08 0.11 -0.04 7.15 7.32 1dlpA1 TYR 152 HE2 0.00 0.08 0.03 -0.04 6.85 6.92 1dlpA1 ARG 153 H 0.22 0.67 0.15 -0.55 8.46 8.95 1dlpA1 ARG 153 HA 0.14 0.04 0.08 -0.75 4.34 3.84 1dlpA1 ARG 153 HB2 0.14 0.12 0.15 -0.04 1.90 2.26 1dlpA1 ARG 153 HB3 0.13 0.13 0.20 -0.04 1.80 2.22 1dlpA1 ARG 153 HG2 0.22 0.02 -0.18 -0.04 1.67 1.70 1dlpA1 ARG 153 HG3 0.31 -0.11 -0.09 -0.04 1.67 1.74 1dlpA1 ARG 153 HD2 0.11 0.05 -0.12 -0.04 3.22 3.22 1dlpA1 ARG 153 HD3 0.12 -0.06 -0.11 -0.04 3.22 3.13 1dlpA1 LEU 154 H 0.10 0.67 0.23 -0.55 8.37 8.83 1dlpA1 LEU 154 HA 0.04 0.26 1.29 -0.75 4.35 5.19 1dlpA1 LEU 154 HB2 0.13 -0.11 0.11 -0.04 1.64 1.73 1dlpA1 LEU 154 HB3 0.11 0.14 0.21 -0.04 1.64 2.06 1dlpA1 LEU 154 HG 0.17 -0.06 -0.01 -0.04 1.64 1.70 1dlpA1 LEU 154 HD13 0.28 -0.03 -0.12 -0.04 0.93 1.02 1dlpA1 LEU 154 HD23 0.21 0.03 -0.11 -0.04 0.89 0.98 1dlpA1 SER 155 H -0.09 0.68 0.33 -0.55 8.46 8.84 1dlpA1 SER 155 HA 0.03 0.31 0.49 -0.75 4.49 4.56 1dlpA1 SER 155 HB2 0.08 0.04 0.06 -0.04 3.95 4.09 1dlpA1 SER 155 HB3 0.11 -0.12 -0.95 -0.04 3.93 2.93 1dlpA1 MET 156 H 0.02 0.73 0.24 -0.55 8.47 8.92 1dlpA1 MET 156 HA -0.04 0.17 0.94 -0.75 4.52 4.84 1dlpA1 MET 156 HB2 -0.01 0.08 0.08 -0.04 2.15 2.26 1dlpA1 MET 156 HB3 0.01 0.13 0.19 -0.04 2.03 2.32 1dlpA1 MET 156 HG2 -0.04 -0.07 -0.12 -0.04 2.63 2.35 1dlpA1 MET 156 HG3 -0.01 0.35 0.00 -0.04 2.56 2.86 1dlpA1 MET 156 HE3 -0.05 0.03 -0.30 -0.04 2.10 1.74 1dlpA1 GLU 157 H -0.04 0.37 0.01 -0.55 8.60 8.40 1dlpA1 GLU 157 HA 0.03 0.12 0.53 -0.75 4.29 4.21 1dlpA1 GLU 157 HB2 -0.03 0.37 0.11 -0.04 2.09 2.50 1dlpA1 GLU 157 HB3 -0.01 -0.31 -0.19 -0.04 1.99 1.44 1dlpA1 GLU 157 HG2 0.05 0.01 -0.07 -0.04 2.34 2.29 1dlpA1 GLU 157 HG3 0.04 -0.05 -0.05 -0.04 2.34 2.24 1dlpA1 THR 158 H 0.02 0.14 0.17 -0.55 8.28 8.06 1dlpA1 THR 158 HA 0.01 0.15 0.22 -0.75 4.39 4.01 1dlpA1 THR 158 HB 0.00 0.04 0.15 -0.04 4.32 4.47 1dlpA1 THR 158 HG23 0.01 0.02 0.06 -0.04 1.22 1.27 1dlpA1 ASP 159 H -0.01 0.08 -0.11 -0.55 8.40 7.82 1dlpA1 ASP 159 HA -0.01 0.07 0.28 -0.75 4.63 4.22 1dlpA1 ASP 159 HB2 -0.02 -0.35 0.31 -0.04 2.71 2.61 1dlpA1 ASP 159 HB3 -0.01 0.08 0.13 -0.04 2.70 2.86 1dlpA1 CYS 160 H -0.02 0.46 -0.25 -0.55 8.50 8.15 1dlpA1 CYS 160 HA -0.02 -0.09 0.22 -0.75 4.58 3.94 1dlpA1 CYS 160 HB2 -0.01 0.06 -0.13 -0.04 2.97 2.85 1dlpA1 CYS 160 HB3 -0.02 0.12 0.23 -0.04 2.97 3.27 1dlpA1 ASN 161 H -0.06 0.02 -0.14 -0.55 8.53 7.81 1dlpA1 ASN 161 HA -0.15 0.19 0.65 -0.75 4.76 4.70 1dlpA1 ASN 161 HB2 -0.10 0.33 -0.56 -0.04 2.88 2.51 1dlpA1 ASN 161 HB3 -0.09 -0.08 -0.08 -0.04 2.79 2.51 1dlpA1 ASN 161 HD21 -0.16 0.00 -0.07 -0.04 7.03 6.77 1dlpA1 ASN 161 HD22 -0.11 0.02 -0.12 -0.04 7.74 7.49 1dlpA1 LEU 162 H -0.33 0.11 0.07 -0.55 8.37 7.67 1dlpA1 LEU 162 HA -0.14 0.39 0.73 -0.75 4.35 4.57 1dlpA1 LEU 162 HB2 -0.28 -0.03 0.02 -0.04 1.64 1.31 1dlpA1 LEU 162 HB3 -0.47 -0.03 0.02 -0.04 1.64 1.12 1dlpA1 LEU 162 HG -0.15 -0.00 -0.11 -0.04 1.64 1.34 1dlpA1 LEU 162 HD13 -0.08 -0.00 -0.17 -0.04 0.93 0.64 1dlpA1 LEU 162 HD23 -0.04 0.02 -0.15 -0.04 0.89 0.68 1dlpA1 VAL 163 H -0.15 0.51 0.41 -0.55 8.24 8.47 1dlpA1 VAL 163 HA -0.30 0.24 1.11 -0.75 4.13 4.42 1dlpA1 VAL 163 HB -0.32 0.01 0.15 -0.04 2.12 1.92 1dlpA1 VAL 163 HG13 -0.17 0.00 -0.23 -0.04 0.97 0.53 1dlpA1 VAL 163 HG23 -1.00 -0.01 -0.21 -0.04 0.95 -0.31 1dlpA1 LEU 164 H -0.23 0.30 0.19 -0.55 8.37 8.08 1dlpA1 LEU 164 HA -0.05 0.43 0.98 -0.75 4.35 4.96 1dlpA1 LEU 164 HB2 0.32 0.06 0.18 -0.04 1.64 2.16 1dlpA1 LEU 164 HB3 0.09 -0.08 0.19 -0.04 1.64 1.80 1dlpA1 LEU 164 HG 0.18 -0.02 -0.03 -0.04 1.64 1.73 1dlpA1 LEU 164 HD13 -0.09 -0.01 -0.13 -0.04 0.93 0.66 1dlpA1 LEU 164 HD23 0.03 0.05 -0.09 -0.04 0.89 0.84 1dlpA1 PHE 165 H -0.16 0.26 -0.02 -0.55 8.34 7.87 1dlpA1 PHE 165 HA 0.07 0.34 0.59 -0.75 4.62 4.87 1dlpA1 PHE 165 HB2 0.07 -0.01 -0.13 -0.04 3.15 3.03 1dlpA1 PHE 165 HB3 0.06 -0.07 -0.36 -0.04 3.06 2.65 1dlpA1 PHE 165 HD2 0.04 0.02 -0.40 -0.04 7.28 6.89 1dlpA1 PHE 165 HE2 0.02 -0.00 -0.16 -0.04 7.38 7.19 1dlpA1 PHE 165 HZ 0.00 -0.01 -0.12 -0.04 7.32 7.15 1dlpA1 ASP 166 H 0.25 0.74 -0.16 -0.55 8.40 8.69 1dlpA1 ASP 166 HA 0.33 0.05 0.66 -0.75 4.63 4.91 1dlpA1 ASP 166 HB2 0.18 0.09 0.13 -0.04 2.71 3.07 1dlpA1 ASP 166 HB3 0.14 0.08 0.14 -0.04 2.70 3.02 1dlpA1 ARG 167 H 0.11 0.08 -0.35 -0.55 8.46 7.74 1dlpA1 ARG 167 HA 0.03 0.10 0.35 -0.75 4.34 4.06 1dlpA1 ARG 167 HB2 0.03 -0.05 -0.29 -0.04 1.90 1.55 1dlpA1 ARG 167 HB3 0.02 0.09 -0.03 -0.04 1.80 1.83 1dlpA1 ARG 167 HG2 -0.02 -0.06 0.07 -0.04 1.67 1.62 1dlpA1 ARG 167 HG3 -0.01 0.02 -0.00 -0.04 1.67 1.63 1dlpA1 ARG 167 HD2 -0.01 0.02 -0.03 -0.04 3.22 3.17 1dlpA1 ARG 167 HD3 -0.01 0.02 0.04 -0.04 3.22 3.23 1dlpA1 ASP 168 H -0.03 0.12 0.00 -0.55 8.40 7.95 1dlpA1 ASP 168 HA -0.29 -0.05 0.30 -0.75 4.63 3.84 1dlpA1 ASP 168 HB2 -0.04 -0.09 -0.38 -0.04 2.71 2.15 1dlpA1 ASP 168 HB3 -0.04 0.08 -0.08 -0.04 2.70 2.61 1dlpA1 ASP 169 H 0.15 0.41 -0.18 -0.55 8.40 8.23 1dlpA1 ASP 169 HA 0.11 0.25 1.80 -0.75 4.63 6.04 1dlpA1 ASP 169 HB2 0.12 0.20 -0.53 -0.04 2.71 2.45 1dlpA1 ASP 169 HB3 0.08 -0.10 0.06 -0.04 2.70 2.69 1dlpA1 ARG 170 H 0.23 0.06 0.12 -0.55 8.46 8.31 1dlpA1 ARG 170 HA 0.11 -0.00 0.08 -0.75 4.34 3.77 1dlpA1 ARG 170 HB2 0.15 0.02 0.15 -0.04 1.90 2.18 1dlpA1 ARG 170 HB3 0.07 0.05 0.08 -0.04 1.80 1.96 1dlpA1 ARG 170 HG2 0.11 -0.04 -0.06 -0.04 1.67 1.64 1dlpA1 ARG 170 HG3 0.39 0.01 -0.01 -0.04 1.67 2.02 1dlpA1 ARG 170 HD2 0.16 -0.03 -0.06 -0.04 3.22 3.25 1dlpA1 ARG 170 HD3 0.12 0.02 -0.02 -0.04 3.22 3.30 1dlpA1 VAL 171 H 0.05 0.13 0.30 -0.55 8.24 8.17 1dlpA1 VAL 171 HA 0.09 0.27 0.34 -0.75 4.13 4.08 1dlpA1 VAL 171 HB 0.09 -0.05 0.15 -0.04 2.12 2.26 1dlpA1 VAL 171 HG13 0.11 0.04 0.02 -0.04 0.97 1.10 1dlpA1 VAL 171 HG23 0.07 -0.05 -0.16 -0.04 0.95 0.77 1dlpA1 TRP 172 H 0.23 0.15 0.31 -0.55 7.97 8.11 1dlpA1 TRP 172 HA -0.03 0.17 0.50 -0.75 4.62 4.51 1dlpA1 TRP 172 HB2 -0.03 0.11 0.11 -0.04 3.23 3.38 1dlpA1 TRP 172 HB3 -0.05 -0.07 0.10 -0.04 3.23 3.17 1dlpA1 TRP 172 HD1 0.01 0.06 0.05 -0.04 7.22 7.30 1dlpA1 TRP 172 HE1 0.16 0.05 0.02 -0.04 10.20 10.39 1dlpA1 TRP 172 HE3 -0.07 -0.08 -0.30 -0.04 7.59 7.09 1dlpA1 TRP 172 HZ2 0.17 0.02 -0.11 -0.04 7.44 7.47 1dlpA1 TRP 172 HZ3 -0.07 -0.02 -0.31 -0.04 7.13 6.69 1dlpA1 TRP 172 HH2 -0.36 -0.03 -0.19 -0.04 7.19 6.56 1dlpA1 SER 173 H -0.83 0.26 0.12 -0.55 8.46 7.47 1dlpA1 SER 173 HA -0.98 0.31 0.27 -0.75 4.49 3.33 1dlpA1 SER 173 HB2 -0.22 0.03 -0.79 -0.04 3.95 2.93 1dlpA1 SER 173 HB3 -0.27 0.00 -0.03 -0.04 3.93 3.60 1dlpA1 THR 174 H -0.48 0.08 0.13 -0.55 8.28 7.47 1dlpA1 THR 174 HA -0.72 0.27 0.75 -0.75 4.39 3.93 1dlpA1 THR 174 HB -0.39 0.04 -0.06 -0.04 4.32 3.87 1dlpA1 THR 174 HG23 -1.28 0.03 -0.02 -0.04 1.22 -0.09 1dlpA1 ASN 175 H -0.33 -0.23 -0.05 -0.55 8.53 7.38 1dlpA1 ASN 175 HA -0.14 -0.07 0.25 -0.75 4.76 4.05 1dlpA1 ASN 175 HB2 -0.07 0.03 0.20 -0.04 2.88 3.00 1dlpA1 ASN 175 HB3 -0.11 -0.05 0.04 -0.04 2.79 2.62 1dlpA1 ASN 175 HD21 -0.16 0.08 -0.25 -0.04 7.03 6.65 1dlpA1 ASN 175 HD22 -0.15 -0.10 -0.19 -0.04 7.74 7.26 1dlpA1 THR 176 H -0.14 -0.01 -0.37 -0.55 8.28 7.20 1dlpA1 THR 176 HA -0.03 0.17 0.33 -0.75 4.39 4.10 1dlpA1 THR 176 HB -0.11 -0.08 -1.16 -0.04 4.32 2.93 1dlpA1 THR 176 HG23 -0.10 -0.02 0.15 -0.04 1.22 1.21 1dlpA1 ALA 177 H -0.05 0.04 -0.15 -0.55 8.40 7.70 1dlpA1 ALA 177 HA -0.05 0.21 0.69 -0.75 4.34 4.43 1dlpA1 ALA 177 HB3 -0.04 -0.05 0.06 -0.04 1.41 1.34 1dlpA1 GLY 178 H -0.02 0.01 0.22 -0.55 8.43 8.10 1dlpA1 GLY 178 HA2 -0.01 0.04 0.36 -0.51 4.01 3.89 1dlpA1 GLY 178 HA3 -0.01 -0.02 0.37 -0.51 4.01 3.84 1dlpA1 LYS 179 H -0.01 0.23 -0.22 -0.55 8.42 7.87 1dlpA1 LYS 179 HA -0.00 0.10 0.63 -0.75 4.32 4.29 1dlpA1 LYS 179 HB2 -0.00 -0.03 -0.05 -0.04 1.87 1.75 1dlpA1 LYS 179 HB3 0.00 -0.07 0.22 -0.04 1.79 1.90 1dlpA1 LYS 179 HG2 -0.01 0.32 -0.53 -0.04 1.46 1.20 1dlpA1 LYS 179 HG3 -0.01 -0.06 -0.30 -0.04 1.46 1.05 1dlpA1 LYS 179 HD2 0.00 -0.05 0.05 -0.04 1.69 1.65 1dlpA1 LYS 179 HD3 -0.00 -0.02 -0.01 -0.04 1.68 1.61 1dlpA1 LYS 179 HE2 0.02 0.04 0.07 -0.04 2.99 3.08 1dlpA1 LYS 179 HE3 0.01 -0.01 0.02 -0.04 2.99 2.97 1dlpA1 GLY 180 H -0.01 0.24 0.05 -0.55 8.43 8.17 1dlpA1 GLY 180 HA2 -0.00 0.09 0.23 -0.51 4.01 3.83 1dlpA1 GLY 180 HA3 -0.00 0.08 0.50 -0.51 4.01 4.08 1dlpA1 THR 181 H 0.00 0.08 0.17 -0.55 8.28 7.97 1dlpA1 THR 181 HA -0.00 0.31 1.52 -0.75 4.39 5.47 1dlpA1 THR 181 HB -0.00 0.04 0.12 -0.04 4.32 4.43 1dlpA1 THR 181 HG23 -0.00 0.02 0.17 -0.04 1.22 1.36 1dlpA1 GLY 182 H 0.00 -0.18 0.11 -0.55 8.43 7.82 1dlpA1 GLY 182 HA2 0.01 0.76 0.64 -0.51 4.01 4.90 1dlpA1 GLY 182 HA3 0.01 0.04 0.22 -0.51 4.01 3.76 1dlpA1 CYS 183 H 0.01 0.14 -0.14 -0.55 8.50 7.97 1dlpA1 CYS 183 HA 0.02 0.27 0.39 -0.75 4.58 4.51 1dlpA1 CYS 183 HB2 -0.00 0.04 -0.07 -0.04 2.97 2.89 1dlpA1 CYS 183 HB3 0.01 0.15 -0.29 -0.04 2.97 2.80 1dlpA1 ARG 184 H 0.01 0.57 0.33 -0.55 8.46 8.82 1dlpA1 ARG 184 HA -0.01 0.33 0.61 -0.75 4.34 4.51 1dlpA1 ARG 184 HB2 -0.07 -0.13 0.00 -0.04 1.90 1.66 1dlpA1 ARG 184 HB3 0.04 0.02 0.06 -0.04 1.80 1.88 1dlpA1 ARG 184 HG2 0.04 0.02 -0.13 -0.04 1.67 1.55 1dlpA1 ARG 184 HG3 0.01 -0.05 -0.24 -0.04 1.67 1.35 1dlpA1 ARG 184 HD2 0.18 -0.04 -0.13 -0.04 3.22 3.19 1dlpA1 ARG 184 HD3 0.10 0.06 -0.17 -0.04 3.22 3.17 1dlpA1 ALA 185 H -0.08 0.51 0.19 -0.55 8.40 8.46 1dlpA1 ALA 185 HA -0.03 0.48 1.02 -0.75 4.34 5.06 1dlpA1 ALA 185 HB3 -0.07 -0.03 -0.00 -0.04 1.41 1.26 1dlpA1 VAL 186 H -0.04 0.39 0.31 -0.55 8.24 8.34 1dlpA1 VAL 186 HA -0.07 0.25 0.67 -0.75 4.13 4.23 1dlpA1 VAL 186 HB -0.04 0.07 0.16 -0.04 2.12 2.27 1dlpA1 VAL 186 HG13 -0.03 -0.03 -0.20 -0.04 0.97 0.68 1dlpA1 VAL 186 HG23 -0.03 0.01 -0.18 -0.04 0.95 0.72 1dlpA1 LEU 187 H -0.04 0.49 0.21 -0.55 8.37 8.49 1dlpA1 LEU 187 HA -0.09 0.39 2.62 -0.75 4.35 6.51 1dlpA1 LEU 187 HB2 -0.08 -0.08 -0.04 -0.04 1.64 1.41 1dlpA1 LEU 187 HB3 0.00 0.08 0.17 -0.04 1.64 1.86 1dlpA1 LEU 187 HG 0.03 0.05 -0.29 -0.04 1.64 1.39 1dlpA1 LEU 187 HD13 0.00 -0.04 -0.34 -0.04 0.93 0.51 1dlpA1 LEU 187 HD23 0.06 -0.00 -0.30 -0.04 0.89 0.60 1dlpA1 GLN 188 H -0.10 1.16 0.29 -0.55 8.47 9.27 1dlpA1 GLN 188 HA -0.06 0.31 -0.43 -0.75 4.36 3.42 1dlpA1 GLN 188 HB2 -0.11 0.05 -0.01 -0.04 2.15 2.03 1dlpA1 GLN 188 HB3 -0.12 -0.17 -0.32 -0.04 2.02 1.37 1dlpA1 GLN 188 HG2 -0.07 -0.01 -0.03 -0.04 2.40 2.25 1dlpA1 GLN 188 HG3 -0.06 0.08 -0.09 -0.04 2.39 2.28 1dlpA1 GLN 188 HE21 -0.05 -0.03 -0.12 -0.04 6.97 6.72 1dlpA1 GLN 188 HE22 -0.04 0.00 -0.13 -0.04 7.69 7.47 1dlpA1 PRO 189 HA -0.13 0.16 0.01 -0.51 4.44 3.97 1dlpA1 PRO 189 HB2 -0.09 -0.08 0.22 -0.04 2.28 2.29 1dlpA1 PRO 189 HB3 -0.11 0.28 0.28 -0.04 2.02 2.42 1dlpA1 PRO 189 HG2 -0.08 -0.02 0.10 -0.04 2.03 1.99 1dlpA1 PRO 189 HG3 -0.10 0.17 0.10 -0.04 2.03 2.15 1dlpA1 PRO 189 HD2 -0.08 0.05 0.17 -0.04 3.68 3.77 1dlpA1 PRO 189 HD3 -0.06 0.12 0.16 -0.04 3.65 3.82 1dlpA1 ASN 190 H -0.23 0.04 -0.42 -0.55 8.53 7.37 1dlpA1 ASN 190 HA -0.54 0.26 0.47 -0.75 4.76 4.20 1dlpA1 ASN 190 HB2 -0.10 0.46 -0.05 -0.04 2.88 3.15 1dlpA1 ASN 190 HB3 -0.13 -0.13 -0.39 -0.04 2.79 2.10 1dlpA1 ASN 190 HD21 -0.09 -0.02 -0.14 -0.04 7.03 6.75 1dlpA1 ASN 190 HD22 -0.07 0.04 -0.10 -0.04 7.74 7.57 1dlpA1 GLY 191 H -1.05 0.34 -0.11 -0.55 8.43 7.06 1dlpA1 GLY 191 HA2 -0.21 0.01 0.11 -0.51 4.01 3.41 1dlpA1 GLY 191 HA3 0.02 0.01 0.23 -0.51 4.01 3.76 1dlpA1 ARG 192 H -0.17 0.14 -0.25 -0.55 8.46 7.63 1dlpA1 ARG 192 HA -0.23 -0.14 0.51 -0.75 4.34 3.73 1dlpA1 ARG 192 HB2 -0.15 0.03 -0.70 -0.04 1.90 1.04 1dlpA1 ARG 192 HB3 -0.16 -0.10 -0.08 -0.04 1.80 1.42 1dlpA1 ARG 192 HG2 -0.21 0.10 -0.29 -0.04 1.67 1.23 1dlpA1 ARG 192 HG3 -0.14 0.03 -0.46 -0.04 1.67 1.07 1dlpA1 ARG 192 HD2 -0.29 -0.12 -0.03 -0.04 3.22 2.75 1dlpA1 ARG 192 HD3 -0.17 0.07 -0.13 -0.04 3.22 2.94 1dlpA1 MET 193 H -0.33 0.13 0.14 -0.55 8.47 7.87 1dlpA1 MET 193 HA -0.12 0.19 0.91 -0.75 4.52 4.74 1dlpA1 MET 193 HB2 -0.15 0.03 0.06 -0.04 2.15 2.05 1dlpA1 MET 193 HB3 -0.10 -0.16 0.14 -0.04 2.03 1.87 1dlpA1 MET 193 HG2 0.10 -0.03 -0.10 -0.04 2.63 2.56 1dlpA1 MET 193 HG3 0.29 0.02 -0.12 -0.04 2.56 2.71 1dlpA1 MET 193 HE3 -0.42 -0.01 -0.13 -0.04 2.10 1.50 1dlpA1 ASP 194 H -0.04 0.64 0.28 -0.55 8.40 8.73 1dlpA1 ASP 194 HA -0.01 0.33 0.08 -0.75 4.63 4.28 1dlpA1 ASP 194 HB2 -0.03 -0.06 -0.05 -0.04 2.71 2.53 1dlpA1 ASP 194 HB3 -0.03 -0.08 0.10 -0.04 2.70 2.64 1dlpA1 VAL 195 H 0.13 0.35 0.12 -0.55 8.24 8.29 1dlpA1 VAL 195 HA 0.06 0.59 1.55 -0.75 4.13 5.57 1dlpA1 VAL 195 HB 0.05 -0.05 -0.13 -0.04 2.12 1.95 1dlpA1 VAL 195 HG13 0.39 -0.02 0.04 -0.04 0.97 1.34 1dlpA1 VAL 195 HG23 -0.01 -0.00 -0.11 -0.04 0.95 0.79 1dlpA1 LEU 196 H 0.02 0.76 0.29 -0.55 8.37 8.90 1dlpA1 LEU 196 HA 0.02 0.20 1.10 -0.75 4.35 4.92 1dlpA1 LEU 196 HB2 0.01 0.02 -0.09 -0.04 1.64 1.53 1dlpA1 LEU 196 HB3 0.01 0.10 -0.48 -0.04 1.64 1.23 1dlpA1 LEU 196 HG -0.01 0.03 -0.26 -0.04 1.64 1.36 1dlpA1 LEU 196 HD13 -0.01 -0.02 -0.48 -0.04 0.93 0.37 1dlpA1 LEU 196 HD23 -0.01 0.02 -0.21 -0.04 0.89 0.66 1dlpA1 THR 197 H 0.01 0.80 0.34 -0.55 8.28 8.88 1dlpA1 THR 197 HA 0.01 -0.00 0.22 -0.75 4.39 3.86 1dlpA1 THR 197 HB 0.00 -0.24 0.24 -0.04 4.32 4.28 1dlpA1 THR 197 HG23 0.01 0.09 0.12 -0.04 1.22 1.39 1dlpA1 ASN 198 H 0.01 -0.18 0.09 -0.55 8.53 7.91 1dlpA1 ASN 198 HA 0.01 0.12 0.37 -0.75 4.76 4.50 1dlpA1 ASN 198 HB2 0.00 -0.21 0.14 -0.04 2.88 2.78 1dlpA1 ASN 198 HB3 0.00 0.17 -0.08 -0.04 2.79 2.84 1dlpA1 ASN 198 HD21 -0.00 0.08 0.02 -0.04 7.03 7.08 1dlpA1 ASN 198 HD22 -0.00 -0.06 0.06 -0.04 7.74 7.70 1dlpA1 GLN 199 HA -0.00 0.14 0.29 -0.75 4.36 4.03 1dlpA1 GLN 199 HB2 -0.00 0.01 0.05 -0.04 2.15 2.17 1dlpA1 GLN 199 HB3 -0.00 -0.11 0.06 -0.04 2.02 1.93 1dlpA1 GLN 199 HG2 -0.00 0.02 0.04 -0.04 2.40 2.42 1dlpA1 GLN 199 HG3 -0.00 0.05 0.06 -0.04 2.39 2.45 1dlpA1 GLN 199 HE21 -0.00 0.01 -0.01 -0.04 6.97 6.93 1dlpA1 GLN 199 HE22 -0.00 0.03 -0.01 -0.04 7.69 7.67 1dlpA1 ASN 200 H 0.00 0.34 -0.30 -0.55 8.53 8.03 1dlpA1 ASN 200 HA -0.00 -0.01 0.09 -0.75 4.76 4.08 1dlpA1 ASN 200 HB2 -0.01 0.02 0.11 -0.04 2.88 2.96 1dlpA1 ASN 200 HB3 -0.01 -0.04 0.06 -0.04 2.79 2.76 1dlpA1 ASN 200 HD21 0.00 0.03 -0.03 -0.04 7.03 6.99 1dlpA1 ASN 200 HD22 -0.00 -0.04 -0.03 -0.04 7.74 7.63 1dlpA1 ILE 201 H -0.00 0.07 -0.22 -0.55 8.25 7.55 1dlpA1 ILE 201 HA -0.01 0.12 0.97 -0.75 4.18 4.51 1dlpA1 ILE 201 HB -0.00 -0.07 -0.12 -0.04 1.89 1.66 1dlpA1 ILE 201 HG12 -0.01 -0.02 -0.01 -0.04 1.49 1.41 1dlpA1 ILE 201 HG13 -0.01 0.10 -0.16 -0.04 1.21 1.11 1dlpA1 ILE 201 HG23 -0.00 -0.02 -0.16 -0.04 0.93 0.71 1dlpA1 ILE 201 HD13 -0.00 -0.01 -0.04 -0.04 0.88 0.79 1dlpA1 ALA 202 H -0.02 0.24 0.11 -0.55 8.40 8.19 1dlpA1 ALA 202 HA 0.01 0.12 0.85 -0.75 4.34 4.57 1dlpA1 ALA 202 HB3 -0.04 0.02 0.01 -0.04 1.41 1.37 1dlpA1 VAL 203 H 0.04 0.31 0.40 -0.55 8.24 8.44 1dlpA1 VAL 203 HA 0.04 0.05 0.53 -0.75 4.13 3.99 1dlpA1 VAL 203 HB 0.04 -0.02 0.35 -0.04 2.12 2.45 1dlpA1 VAL 203 HG13 0.04 -0.01 -0.05 -0.04 0.97 0.90 1dlpA1 VAL 203 HG23 0.02 -0.00 0.04 -0.04 0.95 0.97 1dlpA1 TRP 204 H 0.15 0.30 0.10 -0.55 7.97 7.97 1dlpA1 TRP 204 HA -0.04 0.11 0.58 -0.75 4.62 4.52 1dlpA1 TRP 204 HB2 -0.05 0.17 -0.06 -0.04 3.23 3.25 1dlpA1 TRP 204 HB3 -0.06 -0.08 -0.03 -0.04 3.23 3.01 1dlpA1 TRP 204 HD1 -0.01 0.11 0.02 -0.04 7.22 7.29 1dlpA1 TRP 204 HE1 0.17 0.05 -0.09 -0.04 10.20 10.28 1dlpA1 TRP 204 HE3 -0.10 -0.03 -0.38 -0.04 7.59 7.04 1dlpA1 TRP 204 HZ2 0.16 0.07 -0.13 -0.04 7.44 7.50 1dlpA1 TRP 204 HZ3 -0.22 -0.03 -0.23 -0.04 7.13 6.62 1dlpA1 TRP 204 HH2 -0.67 0.02 -0.08 -0.04 7.19 6.42 1dlpA1 THR 205 H -0.73 0.28 0.12 -0.55 8.28 7.41 1dlpA1 THR 205 HA -0.99 0.36 1.07 -0.75 4.39 4.08 1dlpA1 THR 205 HB -0.32 0.03 -0.07 -0.04 4.32 3.92 1dlpA1 THR 205 HG23 -0.31 0.00 0.08 -0.04 1.22 0.94 1dlpA1 SER 206 H -1.98 0.25 0.11 -0.55 8.46 6.29 1dlpA1 SER 206 HA -1.28 0.05 0.51 -0.75 4.49 3.02 1dlpA1 SER 206 HB2 -1.11 -0.00 0.16 -0.04 3.95 2.95 1dlpA1 SER 206 HB3 -0.72 -0.02 0.34 -0.04 3.93 3.49 1dlpA1 GLY 207 H -0.47 0.09 -0.56 -0.55 8.43 6.95 1dlpA1 GLY 207 HA2 -0.23 -0.09 0.31 -0.51 4.01 3.49 1dlpA1 GLY 207 HA3 -0.15 0.01 0.40 -0.51 4.01 3.76 1dlpA1 ASN 208 H -0.11 0.32 -0.23 -0.55 8.53 7.97 1dlpA1 ASN 208 HA -0.00 0.07 0.57 -0.75 4.76 4.64 1dlpA1 ASN 208 HB2 0.09 0.09 -0.18 -0.04 2.88 2.85 1dlpA1 ASN 208 HB3 0.06 -0.05 0.11 -0.04 2.79 2.87 1dlpA1 ASN 208 HD21 0.22 -0.07 0.13 -0.04 7.03 7.27 1dlpA1 ASN 208 HD22 0.09 -0.05 0.05 -0.04 7.74 7.79 1dlpA1 SER 209 H 0.00 0.12 0.22 -0.55 8.46 8.26 1dlpA1 SER 209 HA 0.04 0.34 0.55 -0.75 4.49 4.66 1dlpA1 SER 209 HB2 -0.07 -0.03 -0.06 -0.04 3.95 3.75 1dlpA1 SER 209 HB3 -0.08 0.00 -0.54 -0.04 3.93 3.26 1dlpA1 ARG 210 H 0.03 0.55 0.13 -0.55 8.46 8.62 1dlpA1 ARG 210 HA 0.07 0.10 0.74 -0.75 4.34 4.49 1dlpA1 ARG 210 HB2 0.24 0.02 -0.22 -0.04 1.90 1.90 1dlpA1 ARG 210 HB3 0.31 0.21 -0.11 -0.04 1.80 2.16 1dlpA1 ARG 210 HG2 0.10 0.06 -0.02 -0.04 1.67 1.77 1dlpA1 ARG 210 HG3 0.08 -0.11 0.09 -0.04 1.67 1.69 1dlpA1 ARG 210 HD2 0.06 -0.09 -0.03 -0.04 3.22 3.13 1dlpA1 ARG 210 HD3 0.09 0.02 -0.18 -0.04 3.22 3.11 1dlpA1 SER 211 H 0.09 0.10 0.07 -0.55 8.46 8.18 1dlpA1 SER 211 HA 0.04 -0.06 0.44 -0.75 4.49 4.16 1dlpA1 SER 211 HB2 0.06 0.09 0.05 -0.04 3.95 4.11 1dlpA1 SER 211 HB3 0.05 -0.06 0.13 -0.04 3.93 4.01 1dlpA1 ALA 212 H 0.00 -0.03 0.16 -0.55 8.40 7.99 1dlpA1 ALA 212 HA -0.06 0.10 0.21 -0.75 4.34 3.84 1dlpA1 ALA 212 HB3 -0.01 -0.03 -0.04 -0.04 1.41 1.28 1dlpA1 GLY 213 H 0.04 0.86 0.14 -0.55 8.43 8.92 1dlpA1 GLY 213 HA2 0.07 -0.04 0.34 -0.51 4.01 3.88 1dlpA1 GLY 213 HA3 0.20 0.01 0.34 -0.51 4.01 4.05 1dlpA1 ARG 214 H 0.34 0.30 -0.06 -0.55 8.46 8.49 1dlpA1 ARG 214 HA 0.38 0.06 0.59 -0.75 4.34 4.62 1dlpA1 ARG 214 HB2 0.13 -0.17 -0.30 -0.04 1.90 1.52 1dlpA1 ARG 214 HB3 0.30 0.05 0.20 -0.04 1.80 2.32 1dlpA1 ARG 214 HG2 0.47 0.03 0.02 -0.04 1.67 2.15 1dlpA1 ARG 214 HG3 0.17 0.07 -0.00 -0.04 1.67 1.87 1dlpA1 ARG 214 HD2 0.06 -0.06 -0.05 -0.04 3.22 3.13 1dlpA1 ARG 214 HD3 0.15 0.00 -0.02 -0.04 3.22 3.31 1dlpA1 TYR 215 H 0.64 0.04 0.07 -0.55 8.29 8.49 1dlpA1 TYR 215 HA 0.05 0.47 1.24 -0.75 4.56 5.57 1dlpA1 TYR 215 HB2 0.03 -0.12 0.01 -0.04 3.06 2.93 1dlpA1 TYR 215 HB3 0.00 -0.05 0.06 -0.04 2.98 2.95 1dlpA1 TYR 215 HD2 0.08 -0.17 -0.77 -0.04 7.15 6.25 1dlpA1 TYR 215 HE2 0.05 0.01 -0.38 -0.04 6.85 6.48 1dlpA1 VAL 216 H -0.09 0.44 0.27 -0.55 8.24 8.32 1dlpA1 VAL 216 HA -0.10 0.21 0.23 -0.75 4.13 3.71 1dlpA1 VAL 216 HB -0.96 0.12 -0.31 -0.04 2.12 0.92 1dlpA1 VAL 216 HG13 -0.09 -0.07 -0.21 -0.04 0.97 0.56 1dlpA1 VAL 216 HG23 -0.32 0.01 -0.08 -0.04 0.95 0.53 1dlpA1 PHE 217 H 0.14 0.42 0.18 -0.55 8.34 8.53 1dlpA1 PHE 217 HA -0.06 0.19 0.74 -0.75 4.62 4.74 1dlpA1 PHE 217 HB2 0.01 0.00 -0.11 -0.04 3.15 3.01 1dlpA1 PHE 217 HB3 -0.01 0.02 0.08 -0.04 3.06 3.10 1dlpA1 PHE 217 HD2 0.05 -0.05 -0.20 -0.04 7.28 7.03 1dlpA1 PHE 217 HE2 0.13 -0.02 -0.18 -0.04 7.38 7.26 1dlpA1 PHE 217 HZ 0.06 -0.02 -0.14 -0.04 7.32 7.18 1dlpA1 VAL 218 H -0.30 0.53 0.25 -0.55 8.24 8.17 1dlpA1 VAL 218 HA -0.05 0.20 0.62 -0.75 4.13 4.15 1dlpA1 VAL 218 HB 0.15 -0.03 -0.07 -0.04 2.12 2.13 1dlpA1 VAL 218 HG13 0.07 0.01 -0.02 -0.04 0.97 0.99 1dlpA1 VAL 218 HG23 0.12 0.02 -0.11 -0.04 0.95 0.94 1dlpA1 LEU 219 H -0.01 0.54 0.15 -0.55 8.37 8.51 1dlpA1 LEU 219 HA -0.18 0.09 0.54 -0.75 4.35 4.06 1dlpA1 LEU 219 HB2 0.03 0.02 0.10 -0.04 1.64 1.75 1dlpA1 LEU 219 HB3 0.04 0.01 0.29 -0.04 1.64 1.94 1dlpA1 LEU 219 HG 0.06 0.00 -0.06 -0.04 1.64 1.60 1dlpA1 LEU 219 HD13 -0.00 -0.01 -0.14 -0.04 0.93 0.74 1dlpA1 LEU 219 HD23 0.11 0.03 -0.29 -0.04 0.89 0.69 1dlpA1 GLN 220 H -0.15 0.62 0.13 -0.55 8.47 8.52 1dlpA1 GLN 220 HA 0.07 0.15 0.32 -0.75 4.36 4.14 1dlpA1 GLN 220 HB2 -0.14 -0.08 0.04 -0.04 2.15 1.93 1dlpA1 GLN 220 HB3 -0.16 -0.17 -0.29 -0.04 2.02 1.36 1dlpA1 GLN 220 HG2 -0.27 0.12 0.03 -0.04 2.40 2.24 1dlpA1 GLN 220 HG3 0.15 0.01 -0.05 -0.04 2.39 2.46 1dlpA1 GLN 220 HE21 0.67 -0.00 -0.11 -0.04 6.97 7.48 1dlpA1 GLN 220 HE22 1.00 0.01 -0.10 -0.04 7.69 8.56 1dlpA1 PRO 221 HA 0.12 -0.07 0.48 -0.51 4.44 4.45 1dlpA1 PRO 221 HB2 0.04 0.24 0.19 -0.04 2.28 2.71 1dlpA1 PRO 221 HB3 0.08 0.05 -0.09 -0.04 2.02 2.02 1dlpA1 PRO 221 HG2 -0.20 -0.01 0.26 -0.04 2.03 2.03 1dlpA1 PRO 221 HG3 -0.04 0.09 0.09 -0.04 2.03 2.13 1dlpA1 PRO 221 HD2 -0.42 0.16 -0.04 -0.04 3.68 3.34 1dlpA1 PRO 221 HD3 -0.55 0.07 0.15 -0.04 3.65 3.27 1dlpA1 ASP 222 H -0.16 -0.06 -1.05 -0.55 8.40 6.58 1dlpA1 ASP 222 HA -0.06 0.38 1.07 -0.75 4.63 5.26 1dlpA1 ASP 222 HB2 -0.11 -0.33 0.20 -0.04 2.71 2.42 1dlpA1 ASP 222 HB3 -0.09 0.13 0.00 -0.04 2.70 2.70 1dlpA1 ARG 223 H -0.44 0.14 -0.20 -0.55 8.46 7.41 1dlpA1 ARG 223 HA -0.66 0.03 0.25 -0.75 4.34 3.21 1dlpA1 ARG 223 HB2 -0.61 -0.08 -0.41 -0.04 1.90 0.76 1dlpA1 ARG 223 HB3 -0.30 0.34 -0.07 -0.04 1.80 1.72 1dlpA1 ARG 223 HG2 -0.33 0.04 0.02 -0.04 1.67 1.35 1dlpA1 ARG 223 HG3 -1.32 -0.11 0.01 -0.04 1.67 0.20 1dlpA1 ARG 223 HD2 0.11 -0.07 -0.01 -0.04 3.22 3.22 1dlpA1 ARG 223 HD3 -0.01 -0.06 -0.07 -0.04 3.22 3.03 1dlpA1 ASN 224 H -0.22 -0.10 -0.37 -0.55 8.53 7.29 1dlpA1 ASN 224 HA -0.28 0.10 1.06 -0.75 4.76 4.90 1dlpA1 ASN 224 HB2 -0.17 0.13 -0.10 -0.04 2.88 2.71 1dlpA1 ASN 224 HB3 -0.16 -0.00 -0.05 -0.04 2.79 2.54 1dlpA1 ASN 224 HD21 -0.21 -0.10 0.07 -0.04 7.03 6.75 1dlpA1 ASN 224 HD22 -0.13 0.07 -0.01 -0.04 7.74 7.63 1dlpA1 LEU 225 H -0.42 0.01 0.21 -0.55 8.37 7.62 1dlpA1 LEU 225 HA -0.41 0.40 1.26 -0.75 4.35 4.84 1dlpA1 LEU 225 HB2 -0.39 -0.10 0.14 -0.04 1.64 1.24 1dlpA1 LEU 225 HB3 -0.25 0.07 0.10 -0.04 1.64 1.52 1dlpA1 LEU 225 HG -0.34 -0.07 -0.40 -0.04 1.64 0.79 1dlpA1 LEU 225 HD13 -0.54 0.00 -0.12 -0.04 0.93 0.24 1dlpA1 LEU 225 HD23 -0.06 0.03 -0.10 -0.04 0.89 0.72 1dlpA1 ALA 226 H -0.53 0.66 0.22 -0.55 8.40 8.21 1dlpA1 ALA 226 HA -0.17 0.12 0.42 -0.75 4.34 3.95 1dlpA1 ALA 226 HB3 -0.29 -0.01 0.01 -0.04 1.41 1.09 1dlpA1 ILE 227 H -0.04 0.46 0.45 -0.55 8.25 8.57 1dlpA1 ILE 227 HA -0.24 0.28 1.31 -0.75 4.18 4.77 1dlpA1 ILE 227 HB 0.14 0.25 0.23 -0.04 1.89 2.47 1dlpA1 ILE 227 HG12 0.22 -0.10 0.03 -0.04 1.49 1.61 1dlpA1 ILE 227 HG13 0.21 0.07 -0.12 -0.04 1.21 1.33 1dlpA1 ILE 227 HG23 0.52 -0.01 -0.19 -0.04 0.93 1.22 1dlpA1 ILE 227 HD13 0.09 0.07 -0.25 -0.04 0.88 0.75 1dlpA1 TYR 228 H -0.09 0.63 0.35 -0.55 8.29 8.64 1dlpA1 TYR 228 HA -0.06 0.05 0.85 -0.75 4.56 4.65 1dlpA1 TYR 228 HB2 -0.04 -0.02 -0.14 -0.04 3.06 2.83 1dlpA1 TYR 228 HB3 -0.07 0.21 -0.41 -0.04 2.98 2.67 1dlpA1 TYR 228 HD2 -0.05 0.01 -0.16 -0.04 7.15 6.90 1dlpA1 TYR 228 HE2 0.04 -0.04 -0.13 -0.04 6.85 6.68 1dlpA1 GLY 229 H -0.07 0.29 0.03 -0.55 8.43 8.14 1dlpA1 GLY 229 HA2 -0.29 0.49 0.84 -0.51 4.01 4.54 1dlpA1 GLY 229 HA3 -1.28 -0.23 -0.15 -0.51 4.01 1.84 1dlpA1 GLY 230 HA2 -0.05 -0.02 0.29 -0.51 4.01 3.73 1dlpA1 GLY 230 HA3 -0.02 0.07 0.48 -0.51 4.01 4.03 1dlpA1 ALA 231 HA -0.12 0.41 0.36 -0.75 4.34 4.24 1dlpA1 ALA 231 HB3 0.11 0.05 0.22 -0.04 1.41 1.75 1dlpA1 LEU 232 H 0.04 0.23 0.24 -0.55 8.37 8.33 1dlpA1 LEU 232 HA 0.08 -0.02 0.33 -0.75 4.35 3.98 1dlpA1 LEU 232 HB2 0.13 0.04 0.13 -0.04 1.64 1.90 1dlpA1 LEU 232 HB3 0.11 0.02 0.01 -0.04 1.64 1.74 1dlpA1 LEU 232 HG 0.11 -0.02 0.06 -0.04 1.64 1.76 1dlpA1 LEU 232 HD13 0.10 -0.01 -0.17 -0.04 0.93 0.81 1dlpA1 LEU 232 HD23 0.01 -0.02 -0.20 -0.04 0.89 0.63 1dlpA1 TRP 233 H 0.02 0.22 -0.10 -0.55 7.97 7.57 1dlpA1 TRP 233 HA -0.04 0.03 0.54 -0.75 4.62 4.40 1dlpA1 TRP 233 HB2 -0.04 0.29 -0.36 -0.04 3.23 3.08 1dlpA1 TRP 233 HB3 -0.06 -0.10 -0.20 -0.04 3.23 2.83 1dlpA1 TRP 233 HD1 -0.01 0.05 0.05 -0.04 7.22 7.27 1dlpA1 TRP 233 HE1 0.09 0.03 0.03 -0.04 10.20 10.31 1dlpA1 TRP 233 HE3 -0.10 -0.05 -0.32 -0.04 7.59 7.07 1dlpA1 TRP 233 HZ2 0.40 0.02 -0.07 -0.04 7.44 7.75 1dlpA1 TRP 233 HZ3 -0.22 -0.04 -0.25 -0.04 7.13 6.58 1dlpA1 TRP 233 HH2 -0.18 -0.03 -0.13 -0.04 7.19 6.81 1dlpA1 THR 234 H -0.76 0.24 0.21 -0.55 8.28 7.42 1dlpA1 THR 234 HA -0.78 0.16 -0.17 -0.75 4.39 2.85 1dlpA1 THR 234 HB -0.30 0.10 0.30 -0.04 4.32 4.38 1dlpA1 THR 234 HG23 -0.24 -0.03 -0.19 -0.04 1.22 0.72 1dlpA1 THR 235 H -0.82 0.14 0.07 -0.55 8.28 7.11 1dlpA1 THR 235 HA -0.42 0.12 0.47 -0.75 4.39 3.80 1dlpA1 THR 235 HB -0.39 0.06 0.07 -0.04 4.32 4.02 1dlpA1 THR 235 HG23 -1.65 0.01 -0.01 -0.04 1.22 -0.47