============================================================================= 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 81.443 26.898 36.317 -99.200 -91.000 HIS 9 0.900 78.371 16.005 35.741 -99.200 -91.000 HIS 13 0.900 73.184 26.229 36.880 -99.200 -91.000 HIS 18 0.900 68.877 30.659 27.228 -99.200 -91.000 PHE 28 1.000 88.924 43.169 28.274 -99.200 -91.000 PHE 30 1.000 81.745 35.821 24.567 -99.200 -91.000 PHE 41 1.000 79.534 44.254 22.033 -99.200 -91.000 TRP 48 1.040 86.243 36.324 17.969 -99.200 -91.000 TRP6 48 1.020 84.854 34.851 19.095 -99.200 -91.000 TRP 79 1.040 81.454 30.075 15.474 -99.200 -91.000 TRP6 79 1.020 82.213 29.674 17.614 -99.200 -91.000 TYR 90 0.840 86.145 19.392 27.864 -99.200 -91.000 TYR 103 0.840 92.262 27.212 30.084 -99.200 -91.000 TRP 108 1.040 93.405 17.377 43.271 -99.200 -91.000 TRP6 108 1.020 93.104 19.377 44.319 -99.200 -91.000 TYR 120 0.840 97.612 30.019 32.185 -99.200 -91.000 HIS 125 0.900 99.745 37.724 35.582 -99.200 -91.000 HIS 130 0.900 102.432 35.915 46.797 -99.200 -91.000 TYR 140 0.840 80.940 28.292 47.768 -99.200 -91.000 PHE 153 1.000 88.304 29.531 56.275 -99.200 -91.000 TRP 160 1.040 90.050 20.021 50.424 -99.200 -91.000 TRP6 160 1.020 92.007 21.300 50.124 -99.200 -91.000 TRP 190 1.040 98.603 19.547 49.626 -99.200 -91.000 TRP6 190 1.020 97.951 20.370 47.534 -99.200 -91.000 TYR 201 0.840 96.669 21.544 33.408 -99.200 -91.000 PHE 203 1.000 92.552 25.976 41.729 -99.200 -91.000 TYR 214 0.840 87.076 22.570 35.035 -99.200 -91.000 TRP 219 1.040 88.231 27.698 19.746 -99.200 -91.000 TRP6 219 1.020 87.240 29.492 20.743 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1dlpB1 ASN 1 HA 0.03 -0.06 0.23 -0.75 4.76 4.21 1dlpB1 ASN 1 HB2 0.04 -0.07 0.09 -0.04 2.88 2.90 1dlpB1 ASN 1 HB3 0.04 0.08 0.08 -0.04 2.79 2.96 1dlpB1 ASN 1 HD21 0.11 0.11 0.09 -0.04 7.03 7.29 1dlpB1 ASN 1 HD22 0.04 -0.00 -0.04 -0.04 7.74 7.69 1dlpB1 ASN 2 H 0.01 -0.02 0.08 -0.55 8.53 8.06 1dlpB1 ASN 2 HA 0.03 0.22 0.79 -0.75 4.76 5.05 1dlpB1 ASN 2 HB2 0.02 0.06 0.23 -0.04 2.88 3.15 1dlpB1 ASN 2 HB3 0.04 0.02 -0.09 -0.04 2.79 2.71 1dlpB1 ASN 2 HD21 0.00 -0.07 -0.01 -0.04 7.03 6.92 1dlpB1 ASN 2 HD22 0.01 0.23 0.08 -0.04 7.74 8.02 1dlpB1 ILE 3 H -0.10 0.18 0.10 -0.55 8.25 7.88 1dlpB1 ILE 3 HA -0.13 0.18 0.94 -0.75 4.18 4.41 1dlpB1 ILE 3 HB -0.35 0.03 0.15 -0.04 1.89 1.68 1dlpB1 ILE 3 HG12 -0.51 0.05 -0.06 -0.04 1.49 0.92 1dlpB1 ILE 3 HG13 -1.16 0.00 -0.14 -0.04 1.21 -0.13 1dlpB1 ILE 3 HG23 -0.13 -0.04 -0.03 -0.04 0.93 0.70 1dlpB1 ILE 3 HD13 -0.11 -0.03 -0.05 -0.04 0.88 0.65 1dlpB1 LEU 4 H -0.21 0.52 0.22 -0.55 8.37 8.34 1dlpB1 LEU 4 HA -0.14 0.28 0.98 -0.75 4.35 4.71 1dlpB1 LEU 4 HB2 -0.13 -0.01 -0.12 -0.04 1.64 1.35 1dlpB1 LEU 4 HB3 -0.13 -0.04 0.05 -0.04 1.64 1.48 1dlpB1 LEU 4 HG -0.07 0.23 -0.49 -0.04 1.64 1.26 1dlpB1 LEU 4 HD13 -0.05 -0.03 -0.45 -0.04 0.93 0.36 1dlpB1 LEU 4 HD23 -0.12 -0.06 -0.21 -0.04 0.89 0.46 1dlpB1 PHE 5 H 0.14 0.45 0.00 -0.55 8.34 8.38 1dlpB1 PHE 5 HA -0.09 -0.09 0.43 -0.75 4.62 4.11 1dlpB1 PHE 5 HB2 -0.11 0.19 -0.04 -0.04 3.15 3.14 1dlpB1 PHE 5 HB3 -0.10 -0.01 0.02 -0.04 3.06 2.93 1dlpB1 PHE 5 HD2 -0.09 0.10 -0.21 -0.04 7.28 7.04 1dlpB1 PHE 5 HE2 -0.01 0.07 -0.08 -0.04 7.38 7.32 1dlpB1 PHE 5 HZ 0.01 0.04 -0.02 -0.04 7.32 7.30 1dlpB1 GLY 6 H 0.06 0.16 0.00 -0.55 8.43 8.11 1dlpB1 GLY 6 HA2 0.04 0.11 0.29 -0.51 4.01 3.93 1dlpB1 GLY 6 HA3 0.07 -0.11 0.11 -0.51 4.01 3.58 1dlpB1 LEU 7 H -0.01 0.31 0.12 -0.55 8.37 8.24 1dlpB1 LEU 7 HA -0.03 -0.00 0.52 -0.75 4.35 4.08 1dlpB1 LEU 7 HB2 -0.01 -0.14 0.17 -0.04 1.64 1.62 1dlpB1 LEU 7 HB3 -0.00 -0.00 0.12 -0.04 1.64 1.72 1dlpB1 LEU 7 HG -0.02 0.11 0.07 -0.04 1.64 1.76 1dlpB1 LEU 7 HD13 -0.01 -0.03 -0.04 -0.04 0.93 0.81 1dlpB1 LEU 7 HD23 -0.01 0.01 0.04 -0.04 0.89 0.89 1dlpB1 SER 8 H -0.11 0.21 0.23 -0.55 8.46 8.25 1dlpB1 SER 8 HA -0.53 0.08 0.60 -0.75 4.49 3.89 1dlpB1 SER 8 HB2 -0.19 0.18 0.12 -0.04 3.95 4.02 1dlpB1 SER 8 HB3 -0.34 -0.46 0.08 -0.04 3.93 3.16 1dlpB1 HIS 9 H -0.89 0.16 0.05 -0.55 8.41 7.19 1dlpB1 HIS 9 HA 0.01 0.16 0.65 -0.75 4.63 4.70 1dlpB1 HIS 9 HB2 -0.01 0.11 -1.38 -0.04 3.26 1.95 1dlpB1 HIS 9 HB3 0.00 0.03 -0.08 -0.04 3.20 3.11 1dlpB1 HIS 9 HD2 0.01 0.07 -0.11 -0.04 6.97 6.90 1dlpB1 HIS 9 HE1 0.00 -0.02 -0.00 -0.04 7.75 7.69 1dlpB1 GLU 10 H -0.09 -0.03 -0.08 -0.55 8.60 7.86 1dlpB1 GLU 10 HA 0.07 0.19 0.63 -0.75 4.29 4.42 1dlpB1 GLU 10 HB2 0.44 -0.17 -0.07 -0.04 2.09 2.25 1dlpB1 GLU 10 HB3 0.04 0.01 0.07 -0.04 1.99 2.06 1dlpB1 GLU 10 HG2 0.10 0.04 -0.00 -0.04 2.34 2.44 1dlpB1 GLU 10 HG3 0.20 -0.04 -0.02 -0.04 2.34 2.43 1dlpB1 GLY 11 H -0.12 0.01 -0.16 -0.55 8.43 7.61 1dlpB1 GLY 11 HA2 -0.16 -0.06 -0.07 -0.51 4.01 3.21 1dlpB1 GLY 11 HA3 0.05 0.12 0.04 -0.51 4.01 3.70 1dlpB1 SER 12 H -0.14 -0.00 -0.40 -0.55 8.46 7.38 1dlpB1 SER 12 HA -0.29 0.04 0.27 -0.75 4.49 3.77 1dlpB1 SER 12 HB2 -0.29 -0.11 -0.24 -0.04 3.95 3.27 1dlpB1 SER 12 HB3 -0.62 0.06 0.04 -0.04 3.93 3.37 1dlpB1 HIS 13 H -0.05 0.15 0.09 -0.55 8.41 8.06 1dlpB1 HIS 13 HA 0.08 0.10 0.04 -0.75 4.63 4.11 1dlpB1 HIS 13 HB2 0.01 0.03 0.16 -0.04 3.26 3.42 1dlpB1 HIS 13 HB3 0.03 0.08 0.17 -0.04 3.20 3.44 1dlpB1 HIS 13 HD2 -0.02 0.03 -0.33 -0.04 6.97 6.61 1dlpB1 HIS 13 HE1 0.01 0.02 -0.03 -0.04 7.75 7.71 1dlpB1 PRO 14 HA 0.23 0.00 0.46 -0.51 4.44 4.62 1dlpB1 PRO 14 HB2 0.05 -0.07 -0.25 -0.04 2.28 1.96 1dlpB1 PRO 14 HB3 0.08 0.07 0.10 -0.04 2.02 2.23 1dlpB1 PRO 14 HG2 0.04 -0.10 0.23 -0.04 2.03 2.16 1dlpB1 PRO 14 HG3 0.02 0.14 0.08 -0.04 2.03 2.23 1dlpB1 PRO 14 HD2 0.15 0.27 0.35 -0.04 3.68 4.41 1dlpB1 PRO 14 HD3 0.11 0.05 -0.17 -0.04 3.65 3.60 1dlpB1 GLN 15 H 0.14 0.09 0.23 -0.55 8.47 8.38 1dlpB1 GLN 15 HA 0.02 0.54 1.41 -0.75 4.36 5.57 1dlpB1 GLN 15 HB2 0.02 -0.12 0.02 -0.04 2.15 2.03 1dlpB1 GLN 15 HB3 0.00 -0.04 0.11 -0.04 2.02 2.05 1dlpB1 GLN 15 HG2 -0.04 0.26 -0.06 -0.04 2.40 2.52 1dlpB1 GLN 15 HG3 -0.13 0.13 -0.09 -0.04 2.39 2.27 1dlpB1 GLN 15 HE21 0.01 0.03 0.07 -0.04 6.97 7.04 1dlpB1 GLN 15 HE22 0.00 -0.05 0.10 -0.04 7.69 7.70 1dlpB1 THR 16 H 0.04 0.05 0.16 -0.55 8.28 7.99 1dlpB1 THR 16 HA -0.08 0.06 0.93 -0.75 4.39 4.55 1dlpB1 THR 16 HB -0.20 -0.02 -0.41 -0.04 4.32 3.65 1dlpB1 THR 16 HG23 -0.23 0.04 -0.15 -0.04 1.22 0.85 1dlpB1 LEU 17 H -0.14 -0.31 0.36 -0.55 8.37 7.73 1dlpB1 LEU 17 HA -0.04 0.30 0.59 -0.75 4.35 4.44 1dlpB1 LEU 17 HB2 -0.15 -0.12 0.17 -0.04 1.64 1.50 1dlpB1 LEU 17 HB3 -0.09 0.13 -0.15 -0.04 1.64 1.49 1dlpB1 LEU 17 HG -0.21 0.01 -0.18 -0.04 1.64 1.23 1dlpB1 LEU 17 HD13 -0.23 0.05 -0.21 -0.04 0.93 0.49 1dlpB1 LEU 17 HD23 -0.05 0.03 -0.22 -0.04 0.89 0.60 1dlpB1 HIS 18 H 0.11 0.13 0.18 -0.55 8.41 8.28 1dlpB1 HIS 18 HA -0.01 0.24 1.02 -0.75 4.63 5.12 1dlpB1 HIS 18 HB2 -0.00 -0.04 0.23 -0.04 3.26 3.41 1dlpB1 HIS 18 HB3 -0.00 0.00 0.19 -0.04 3.20 3.34 1dlpB1 HIS 18 HD2 0.01 0.01 -0.04 -0.04 6.97 6.91 1dlpB1 HIS 18 HE1 0.00 0.05 -0.04 -0.04 7.75 7.71 1dlpB1 ALA 19 H 0.12 -0.13 0.19 -0.55 8.40 8.03 1dlpB1 ALA 19 HA 0.05 0.27 0.81 -0.75 4.34 4.72 1dlpB1 ALA 19 HB3 0.10 0.01 -0.11 -0.04 1.41 1.37 1dlpB1 ALA 20 H 0.05 -0.11 0.07 -0.55 8.40 7.86 1dlpB1 ALA 20 HA 0.03 0.13 0.43 -0.75 4.34 4.18 1dlpB1 ALA 20 HB3 0.02 0.00 -0.01 -0.04 1.41 1.37 1dlpB1 GLN 21 H 0.06 -0.05 -0.41 -0.55 8.47 7.53 1dlpB1 GLN 21 HA 0.04 0.31 1.17 -0.75 4.36 5.13 1dlpB1 GLN 21 HB2 0.04 -0.09 0.14 -0.04 2.15 2.21 1dlpB1 GLN 21 HB3 0.05 0.16 0.26 -0.04 2.02 2.44 1dlpB1 GLN 21 HG2 0.06 0.04 0.03 -0.04 2.40 2.49 1dlpB1 GLN 21 HG3 0.14 -0.36 0.24 -0.04 2.39 2.37 1dlpB1 GLN 21 HE21 0.07 0.01 0.09 -0.04 6.97 7.09 1dlpB1 GLN 21 HE22 0.03 0.07 0.08 -0.04 7.69 7.82 1dlpB1 SER 22 HA 0.12 0.24 0.38 -0.75 4.49 4.48 1dlpB1 SER 22 HB2 0.05 -0.17 0.30 -0.04 3.95 4.08 1dlpB1 SER 22 HB3 0.05 0.09 0.24 -0.04 3.93 4.27 1dlpB1 LEU 23 H 0.19 0.60 0.43 -0.55 8.37 9.04 1dlpB1 LEU 23 HA 0.05 0.58 2.02 -0.75 4.35 6.25 1dlpB1 LEU 23 HB2 0.08 -0.14 -0.16 -0.04 1.64 1.38 1dlpB1 LEU 23 HB3 0.02 0.17 0.15 -0.04 1.64 1.94 1dlpB1 LEU 23 HG -0.02 -0.03 0.00 -0.04 1.64 1.55 1dlpB1 LEU 23 HD13 -0.00 -0.05 -0.25 -0.04 0.93 0.59 1dlpB1 LEU 23 HD23 -0.07 0.01 -0.32 -0.04 0.89 0.48 1dlpB1 GLU 24 H 0.07 0.38 0.05 -0.55 8.60 8.56 1dlpB1 GLU 24 HA 0.13 0.22 0.74 -0.75 4.29 4.63 1dlpB1 GLU 24 HB2 0.06 0.05 0.26 -0.04 2.09 2.41 1dlpB1 GLU 24 HB3 0.07 0.01 -0.11 -0.04 1.99 1.92 1dlpB1 GLU 24 HG2 0.06 -0.04 -0.15 -0.04 2.34 2.17 1dlpB1 GLU 24 HG3 0.06 0.10 -0.04 -0.04 2.34 2.41 1dlpB1 LEU 25 H 0.14 0.14 0.04 -0.55 8.37 8.14 1dlpB1 LEU 25 HA 0.09 0.12 0.57 -0.75 4.35 4.38 1dlpB1 LEU 25 HB2 0.10 0.07 0.01 -0.04 1.64 1.79 1dlpB1 LEU 25 HB3 0.26 -0.01 -0.07 -0.04 1.64 1.77 1dlpB1 LEU 25 HG 0.11 0.03 -0.00 -0.04 1.64 1.74 1dlpB1 LEU 25 HD13 0.06 0.00 0.05 -0.04 0.93 0.99 1dlpB1 LEU 25 HD23 0.11 0.02 -0.17 -0.04 0.89 0.80 1dlpB1 SER 26 H 0.08 0.16 0.08 -0.55 8.46 8.23 1dlpB1 SER 26 HA 0.01 -0.05 0.31 -0.75 4.49 4.01 1dlpB1 SER 26 HB2 0.03 -0.01 0.23 -0.04 3.95 4.16 1dlpB1 SER 26 HB3 0.01 0.03 0.13 -0.04 3.93 4.06 1dlpB1 SER 27 H -0.04 0.21 0.01 -0.55 8.46 8.09 1dlpB1 SER 27 HA -0.19 -0.04 0.37 -0.75 4.49 3.88 1dlpB1 SER 27 HB2 -0.25 0.03 0.37 -0.04 3.95 4.06 1dlpB1 SER 27 HB3 -0.52 -0.00 0.14 -0.04 3.93 3.51 1dlpB1 PHE 28 H 0.16 0.64 0.17 -0.55 8.34 8.76 1dlpB1 PHE 28 HA 0.05 0.15 0.59 -0.75 4.62 4.66 1dlpB1 PHE 28 HB2 0.02 -0.02 0.18 -0.04 3.15 3.29 1dlpB1 PHE 28 HB3 0.00 -0.03 0.12 -0.04 3.06 3.11 1dlpB1 PHE 28 HD2 0.01 0.05 -0.08 -0.04 7.28 7.22 1dlpB1 PHE 28 HE2 0.00 0.05 -0.02 -0.04 7.38 7.37 1dlpB1 PHE 28 HZ -0.00 0.02 -0.06 -0.04 7.32 7.25 1dlpB1 ARG 29 H 0.22 0.43 0.26 -0.55 8.46 8.82 1dlpB1 ARG 29 HA 0.18 0.62 2.06 -0.75 4.34 6.45 1dlpB1 ARG 29 HB2 0.20 0.00 -0.09 -0.04 1.90 1.97 1dlpB1 ARG 29 HB3 0.32 -0.14 -0.54 -0.04 1.80 1.40 1dlpB1 ARG 29 HG2 0.14 -0.03 -0.17 -0.04 1.67 1.57 1dlpB1 ARG 29 HG3 0.09 0.15 -0.08 -0.04 1.67 1.79 1dlpB1 ARG 29 HD2 0.01 0.00 -0.15 -0.04 3.22 3.04 1dlpB1 ARG 29 HD3 -0.04 0.03 -0.12 -0.04 3.22 3.04 1dlpB1 PHE 30 H 0.29 0.58 0.22 -0.55 8.34 8.88 1dlpB1 PHE 30 HA 0.14 0.28 0.99 -0.75 4.62 5.27 1dlpB1 PHE 30 HB2 0.06 0.03 0.19 -0.04 3.15 3.39 1dlpB1 PHE 30 HB3 0.06 -0.37 0.55 -0.04 3.06 3.26 1dlpB1 PHE 30 HD2 0.06 0.04 -0.19 -0.04 7.28 7.16 1dlpB1 PHE 30 HE2 0.08 -0.07 -0.27 -0.04 7.38 7.07 1dlpB1 PHE 30 HZ 0.32 -0.03 -0.23 -0.04 7.32 7.33 1dlpB1 THR 31 H 0.55 0.43 0.34 -0.55 8.28 9.04 1dlpB1 THR 31 HA 0.15 0.13 0.74 -0.75 4.39 4.65 1dlpB1 THR 31 HB 0.18 0.02 -0.50 -0.04 4.32 3.98 1dlpB1 THR 31 HG23 0.15 -0.00 -0.28 -0.04 1.22 1.05 1dlpB1 MET 32 H 0.05 2.03 0.54 -0.55 8.47 10.55 1dlpB1 MET 32 HA 0.01 -0.08 0.40 -0.75 4.52 4.10 1dlpB1 MET 32 HB2 -0.01 -0.16 -0.23 -0.04 2.15 1.71 1dlpB1 MET 32 HB3 0.01 0.38 -0.27 -0.04 2.03 2.11 1dlpB1 MET 32 HG2 -0.09 -0.16 -0.18 -0.04 2.63 2.16 1dlpB1 MET 32 HG3 -0.07 0.06 -0.10 -0.04 2.56 2.41 1dlpB1 MET 32 HE3 -0.09 -0.06 -0.25 -0.04 2.10 1.66 1dlpB1 GLN 33 H 0.01 0.50 0.31 -0.55 8.47 8.75 1dlpB1 GLN 33 HA 0.06 0.27 -1.27 -0.75 4.36 2.67 1dlpB1 GLN 33 HB2 0.04 0.09 0.22 -0.04 2.15 2.45 1dlpB1 GLN 33 HB3 0.03 -0.20 0.23 -0.04 2.02 2.05 1dlpB1 GLN 33 HG2 0.13 -0.04 -0.01 -0.04 2.40 2.44 1dlpB1 GLN 33 HG3 0.08 -0.03 0.01 -0.04 2.39 2.41 1dlpB1 GLN 33 HE21 0.10 0.02 -0.18 -0.04 6.97 6.87 1dlpB1 GLN 33 HE22 0.06 -0.01 -0.08 -0.04 7.69 7.61 1dlpB1 SER 34 H 0.03 0.11 0.08 -0.55 8.46 8.13 1dlpB1 SER 34 HA 0.01 0.50 1.52 -0.75 4.49 5.77 1dlpB1 SER 34 HB2 0.01 0.01 0.28 -0.04 3.95 4.21 1dlpB1 SER 34 HB3 0.02 0.10 0.15 -0.04 3.93 4.16 1dlpB1 ASP 35 H -0.00 -0.06 -0.28 -0.55 8.40 7.51 1dlpB1 ASP 35 HA -0.00 0.27 0.58 -0.75 4.63 4.73 1dlpB1 ASP 35 HB2 -0.01 -0.05 0.10 -0.04 2.71 2.71 1dlpB1 ASP 35 HB3 -0.00 0.10 0.04 -0.04 2.70 2.79 1dlpB1 CYS 36 H -0.01 0.20 -0.23 -0.55 8.50 7.91 1dlpB1 CYS 36 HA -0.04 0.04 0.11 -0.75 4.58 3.94 1dlpB1 CYS 36 HB2 -0.02 0.18 -0.54 -0.04 2.97 2.54 1dlpB1 CYS 36 HB3 -0.04 0.15 0.27 -0.04 2.97 3.31 1dlpB1 ASN 37 H -0.03 -0.08 -0.10 -0.55 8.53 7.78 1dlpB1 ASN 37 HA -0.15 0.23 0.76 -0.75 4.76 4.84 1dlpB1 ASN 37 HB2 -0.08 -0.00 -0.15 -0.04 2.88 2.61 1dlpB1 ASN 37 HB3 -0.08 0.03 0.01 -0.04 2.79 2.71 1dlpB1 ASN 37 HD21 -0.31 -0.30 -0.07 -0.04 7.03 6.30 1dlpB1 ASN 37 HD22 -0.21 0.09 -0.24 -0.04 7.74 7.34 1dlpB1 LEU 38 H -0.29 0.08 0.16 -0.55 8.37 7.77 1dlpB1 LEU 38 HA -0.01 0.31 0.86 -0.75 4.35 4.76 1dlpB1 LEU 38 HB2 -0.18 0.08 0.05 -0.04 1.64 1.54 1dlpB1 LEU 38 HB3 -0.36 -0.11 0.17 -0.04 1.64 1.30 1dlpB1 LEU 38 HG 0.55 0.03 -0.24 -0.04 1.64 1.94 1dlpB1 LEU 38 HD13 -0.14 0.09 -0.18 -0.04 0.93 0.65 1dlpB1 LEU 38 HD23 0.01 -0.01 -0.16 -0.04 0.89 0.69 1dlpB1 VAL 39 H 0.12 0.53 0.18 -0.55 8.24 8.51 1dlpB1 VAL 39 HA -0.13 0.16 0.88 -0.75 4.13 4.29 1dlpB1 VAL 39 HB -0.08 0.07 0.07 -0.04 2.12 2.14 1dlpB1 VAL 39 HG13 -0.90 0.01 -0.28 -0.04 0.97 -0.25 1dlpB1 VAL 39 HG23 -0.16 -0.01 -0.13 -0.04 0.95 0.61 1dlpB1 LEU 40 H -0.08 0.32 0.19 -0.55 8.37 8.25 1dlpB1 LEU 40 HA -0.42 0.19 0.72 -0.75 4.35 4.09 1dlpB1 LEU 40 HB2 -0.03 -0.02 0.01 -0.04 1.64 1.57 1dlpB1 LEU 40 HB3 0.03 -0.38 0.35 -0.04 1.64 1.59 1dlpB1 LEU 40 HG -0.06 0.07 -0.29 -0.04 1.64 1.31 1dlpB1 LEU 40 HD13 -0.29 0.02 -0.17 -0.04 0.93 0.45 1dlpB1 LEU 40 HD23 -0.26 0.00 -0.08 -0.04 0.89 0.51 1dlpB1 PHE 41 H 0.33 0.45 0.18 -0.55 8.34 8.75 1dlpB1 PHE 41 HA 0.04 0.05 0.92 -0.75 4.62 4.87 1dlpB1 PHE 41 HB2 0.05 -0.03 0.02 -0.04 3.15 3.14 1dlpB1 PHE 41 HB3 0.03 0.17 -0.51 -0.04 3.06 2.70 1dlpB1 PHE 41 HD2 0.04 0.04 -0.22 -0.04 7.28 7.10 1dlpB1 PHE 41 HE2 0.03 -0.04 -0.10 -0.04 7.38 7.23 1dlpB1 PHE 41 HZ 0.01 -0.02 -0.07 -0.04 7.32 7.20 1dlpB1 ASP 42 H 0.17 0.90 -0.17 -0.55 8.40 8.75 1dlpB1 ASP 42 HA 0.22 0.05 0.66 -0.75 4.63 4.81 1dlpB1 ASP 42 HB2 0.14 -0.02 0.02 -0.04 2.71 2.81 1dlpB1 ASP 42 HB3 0.06 0.02 0.24 -0.04 2.70 2.98 1dlpB1 SER 43 H 0.03 0.29 -0.04 -0.55 8.46 8.19 1dlpB1 SER 43 HA -0.04 -0.03 0.33 -0.75 4.49 4.00 1dlpB1 SER 43 HB2 0.00 0.55 0.32 -0.04 3.95 4.78 1dlpB1 SER 43 HB3 -0.02 -0.15 0.21 -0.04 3.93 3.93 1dlpB1 ASP 44 H 0.02 0.18 0.28 -0.55 8.40 8.33 1dlpB1 ASP 44 HA -0.01 0.10 0.57 -0.75 4.63 4.55 1dlpB1 ASP 44 HB2 -0.02 0.01 0.03 -0.04 2.71 2.69 1dlpB1 ASP 44 HB3 0.02 -0.00 -0.00 -0.04 2.70 2.68 1dlpB1 VAL 45 H 0.26 0.02 -0.17 -0.55 8.24 7.79 1dlpB1 VAL 45 HA 0.08 -0.06 0.45 -0.75 4.13 3.85 1dlpB1 VAL 45 HB 0.07 -0.01 -0.54 -0.04 2.12 1.60 1dlpB1 VAL 45 HG13 0.05 0.07 0.20 -0.04 0.97 1.25 1dlpB1 VAL 45 HG23 0.04 -0.02 0.07 -0.04 0.95 1.00 1dlpB1 ARG 46 H 0.07 0.01 0.12 -0.55 8.46 8.11 1dlpB1 ARG 46 HA -0.14 0.15 0.70 -0.75 4.34 4.29 1dlpB1 ARG 46 HB2 -0.06 0.01 0.10 -0.04 1.90 1.91 1dlpB1 ARG 46 HB3 -0.19 0.01 0.11 -0.04 1.80 1.69 1dlpB1 ARG 46 HG2 -0.80 0.04 -0.05 -0.04 1.67 0.81 1dlpB1 ARG 46 HG3 0.05 -0.15 0.01 -0.04 1.67 1.55 1dlpB1 ARG 46 HD2 -0.03 0.01 0.01 -0.04 3.22 3.17 1dlpB1 ARG 46 HD3 -0.16 0.01 -0.02 -0.04 3.22 3.00 1dlpB1 VAL 47 H -0.06 0.30 0.32 -0.55 8.24 8.26 1dlpB1 VAL 47 HA 0.04 0.39 0.61 -0.75 4.13 4.41 1dlpB1 VAL 47 HB 0.03 -0.04 -0.02 -0.04 2.12 2.05 1dlpB1 VAL 47 HG13 0.05 0.02 0.20 -0.04 0.97 1.19 1dlpB1 VAL 47 HG23 0.05 0.05 -0.05 -0.04 0.95 0.96 1dlpB1 TRP 48 H 0.12 0.15 0.29 -0.55 7.97 7.99 1dlpB1 TRP 48 HA -0.06 0.20 0.72 -0.75 4.62 4.71 1dlpB1 TRP 48 HB2 -0.11 0.05 -0.25 -0.04 3.23 2.88 1dlpB1 TRP 48 HB3 -0.17 -0.14 -0.30 -0.04 3.23 2.58 1dlpB1 TRP 48 HD1 -0.02 0.11 0.05 -0.04 7.22 7.32 1dlpB1 TRP 48 HE1 0.11 0.04 -0.01 -0.04 10.20 10.29 1dlpB1 TRP 48 HE3 -0.18 -0.10 -0.27 -0.04 7.59 7.00 1dlpB1 TRP 48 HZ2 0.69 0.05 -0.11 -0.04 7.44 8.03 1dlpB1 TRP 48 HZ3 0.20 0.01 -0.20 -0.04 7.13 7.10 1dlpB1 TRP 48 HH2 0.34 0.02 -0.14 -0.04 7.19 7.37 1dlpB1 ALA 49 H -1.95 0.28 0.16 -0.55 8.40 6.34 1dlpB1 ALA 49 HA -0.76 0.10 0.94 -0.75 4.34 3.88 1dlpB1 ALA 49 HB3 -0.35 0.04 -0.43 -0.04 1.41 0.63 1dlpB1 SER 50 H -0.67 0.60 0.30 -0.55 8.46 8.15 1dlpB1 SER 50 HA -0.56 0.12 0.49 -0.75 4.49 3.78 1dlpB1 SER 50 HB2 -1.22 0.07 0.08 -0.04 3.95 2.84 1dlpB1 SER 50 HB3 -1.95 0.02 0.03 -0.04 3.93 1.98 1dlpB1 ASN 51 H -0.28 -0.00 -0.24 -0.55 8.53 7.46 1dlpB1 ASN 51 HA -0.13 -0.07 0.31 -0.75 4.76 4.12 1dlpB1 ASN 51 HB2 -0.05 0.19 0.44 -0.04 2.88 3.42 1dlpB1 ASN 51 HB3 -0.06 -0.06 0.22 -0.04 2.79 2.85 1dlpB1 ASN 51 HD21 -0.07 -0.07 -0.00 -0.04 7.03 6.85 1dlpB1 ASN 51 HD22 -0.02 0.06 0.02 -0.04 7.74 7.75 1dlpB1 THR 52 H -0.16 -0.09 -0.12 -0.55 8.28 7.36 1dlpB1 THR 52 HA -0.04 0.26 0.77 -0.75 4.39 4.64 1dlpB1 THR 52 HB -0.05 -0.07 0.15 -0.04 4.32 4.31 1dlpB1 THR 52 HG23 -0.12 0.00 -0.17 -0.04 1.22 0.89 1dlpB1 ALA 53 H -0.08 -0.09 -0.14 -0.55 8.40 7.55 1dlpB1 ALA 53 HA -0.04 0.37 0.25 -0.75 4.34 4.16 1dlpB1 ALA 53 HB3 -0.05 -0.05 -0.06 -0.04 1.41 1.21 1dlpB1 GLY 54 H -0.02 0.21 0.10 -0.55 8.43 8.17 1dlpB1 GLY 54 HA2 -0.01 -0.04 0.48 -0.51 4.01 3.92 1dlpB1 GLY 54 HA3 -0.01 0.14 0.26 -0.51 4.01 3.89 1dlpB1 ALA 55 H -0.01 0.19 0.03 -0.55 8.40 8.06 1dlpB1 ALA 55 HA -0.01 0.29 0.21 -0.75 4.34 4.08 1dlpB1 ALA 55 HB3 -0.00 -0.03 0.16 -0.04 1.41 1.50 1dlpB1 THR 56 H -0.00 0.03 0.08 -0.55 8.28 7.84 1dlpB1 THR 56 HA 0.00 0.18 0.86 -0.75 4.39 4.68 1dlpB1 THR 56 HB 0.00 0.09 -0.13 -0.04 4.32 4.25 1dlpB1 THR 56 HG23 0.00 -0.01 0.11 -0.04 1.22 1.28 1dlpB1 GLY 57 HA2 0.01 0.13 0.09 -0.51 4.01 3.73 1dlpB1 GLY 57 HA3 0.01 0.03 0.48 -0.51 4.01 4.02 1dlpB1 CYS 58 H -0.00 0.02 -0.10 -0.55 8.50 7.87 1dlpB1 CYS 58 HA -0.01 0.21 -0.22 -0.75 4.58 3.81 1dlpB1 CYS 58 HB2 -0.03 0.02 -0.06 -0.04 2.97 2.86 1dlpB1 CYS 58 HB3 -0.02 -0.01 -0.16 -0.04 2.97 2.73 1dlpB1 ARG 59 H -0.05 0.24 0.21 -0.55 8.46 8.31 1dlpB1 ARG 59 HA -0.09 0.25 0.75 -0.75 4.34 4.49 1dlpB1 ARG 59 HB2 -0.09 0.06 0.11 -0.04 1.90 1.93 1dlpB1 ARG 59 HB3 -0.17 0.15 -0.82 -0.04 1.80 0.91 1dlpB1 ARG 59 HG2 -0.12 0.00 -0.27 -0.04 1.67 1.24 1dlpB1 ARG 59 HG3 -0.35 -0.16 -0.23 -0.04 1.67 0.89 1dlpB1 ARG 59 HD2 -0.09 -0.09 -0.10 -0.04 3.22 2.89 1dlpB1 ARG 59 HD3 -0.08 0.02 -0.09 -0.04 3.22 3.03 1dlpB1 ALA 60 H -0.16 1.16 0.44 -0.55 8.40 9.29 1dlpB1 ALA 60 HA -0.10 -0.09 -0.60 -0.75 4.34 2.79 1dlpB1 ALA 60 HB3 -0.14 -0.02 -0.05 -0.04 1.41 1.16 1dlpB1 VAL 61 H -0.11 -0.30 0.29 -0.55 8.24 7.57 1dlpB1 VAL 61 HA -0.08 -0.08 0.63 -0.75 4.13 3.85 1dlpB1 VAL 61 HB -0.08 0.04 -0.15 -0.04 2.12 1.89 1dlpB1 VAL 61 HG13 -0.04 0.02 -0.09 -0.04 0.97 0.81 1dlpB1 VAL 61 HG23 -0.05 -0.02 0.08 -0.04 0.95 0.92 1dlpB1 LEU 62 H -0.05 0.32 0.19 -0.55 8.37 8.28 1dlpB1 LEU 62 HA -0.07 0.26 1.21 -0.75 4.35 4.99 1dlpB1 LEU 62 HB2 -0.08 -0.04 -0.25 -0.04 1.64 1.24 1dlpB1 LEU 62 HB3 -0.05 0.23 -0.12 -0.04 1.64 1.66 1dlpB1 LEU 62 HG -0.08 0.07 -0.85 -0.04 1.64 0.74 1dlpB1 LEU 62 HD13 -0.10 -0.02 -0.32 -0.04 0.93 0.44 1dlpB1 LEU 62 HD23 -0.01 0.00 -0.44 -0.04 0.89 0.40 1dlpB1 GLN 63 H -0.11 0.26 0.04 -0.55 8.47 8.11 1dlpB1 GLN 63 HA -0.04 0.25 -1.36 -0.75 4.36 2.45 1dlpB1 GLN 63 HB2 -0.09 0.16 0.03 -0.04 2.15 2.21 1dlpB1 GLN 63 HB3 -0.09 -0.26 -0.51 -0.04 2.02 1.12 1dlpB1 GLN 63 HG2 -0.03 0.07 0.02 -0.04 2.40 2.42 1dlpB1 GLN 63 HG3 -0.02 -0.08 0.07 -0.04 2.39 2.31 1dlpB1 GLN 63 HE21 -0.03 0.06 -0.04 -0.04 6.97 6.92 1dlpB1 GLN 63 HE22 -0.02 -0.00 -0.06 -0.04 7.69 7.56 1dlpB1 SER 64 H -0.01 0.00 0.08 -0.55 8.46 7.98 1dlpB1 SER 64 HA 0.11 0.20 0.63 -0.75 4.49 4.67 1dlpB1 SER 64 HB2 0.00 0.00 0.25 -0.04 3.95 4.16 1dlpB1 SER 64 HB3 0.03 0.04 0.10 -0.04 3.93 4.05 1dlpB1 ASP 65 H -0.16 0.08 -0.51 -0.55 8.40 7.26 1dlpB1 ASP 65 HA -0.16 -0.04 0.60 -0.75 4.63 4.28 1dlpB1 ASP 65 HB2 -0.08 0.03 0.12 -0.04 2.71 2.74 1dlpB1 ASP 65 HB3 -0.01 0.09 -0.21 -0.04 2.70 2.53 1dlpB1 GLY 66 H -1.11 0.29 -0.22 -0.55 8.43 6.85 1dlpB1 GLY 66 HA2 -0.36 -0.04 0.15 -0.51 4.01 3.24 1dlpB1 GLY 66 HA3 -0.67 0.01 0.05 -0.51 4.01 2.89 1dlpB1 LEU 67 H -0.23 -0.10 -0.22 -0.55 8.37 7.28 1dlpB1 LEU 67 HA -0.26 0.45 1.26 -0.75 4.35 5.05 1dlpB1 LEU 67 HB2 -0.17 0.05 0.01 -0.04 1.64 1.50 1dlpB1 LEU 67 HB3 -0.14 -0.13 0.10 -0.04 1.64 1.43 1dlpB1 LEU 67 HG -0.20 -0.10 -0.15 -0.04 1.64 1.15 1dlpB1 LEU 67 HD13 -0.16 0.08 -0.25 -0.04 0.93 0.56 1dlpB1 LEU 67 HD23 -0.11 -0.04 -0.06 -0.04 0.89 0.64 1dlpB1 LEU 68 H -0.38 0.19 0.05 -0.55 8.37 7.68 1dlpB1 LEU 68 HA -0.08 0.06 0.30 -0.75 4.35 3.88 1dlpB1 LEU 68 HB2 -0.21 -0.03 -0.04 -0.04 1.64 1.32 1dlpB1 LEU 68 HB3 0.11 -0.08 0.00 -0.04 1.64 1.62 1dlpB1 LEU 68 HG -0.01 0.27 -0.07 -0.04 1.64 1.79 1dlpB1 LEU 68 HD13 -0.10 -0.04 -0.26 -0.04 0.93 0.49 1dlpB1 LEU 68 HD23 -0.02 -0.03 -0.21 -0.04 0.89 0.59 1dlpB1 VAL 69 H -0.03 0.97 0.60 -0.55 8.24 9.24 1dlpB1 VAL 69 HA 0.05 0.33 1.83 -0.75 4.13 5.59 1dlpB1 VAL 69 HB 0.03 0.05 0.40 -0.04 2.12 2.55 1dlpB1 VAL 69 HG13 -0.05 -0.03 0.04 -0.04 0.97 0.89 1dlpB1 VAL 69 HG23 -0.03 -0.02 0.04 -0.04 0.95 0.90 1dlpB1 ILE 70 H 0.20 0.33 0.36 -0.55 8.25 8.60 1dlpB1 ILE 70 HA -0.01 0.70 0.68 -0.75 4.18 4.79 1dlpB1 ILE 70 HB 0.15 0.06 0.41 -0.04 1.89 2.47 1dlpB1 ILE 70 HG12 -0.19 -0.11 -0.04 -0.04 1.49 1.11 1dlpB1 ILE 70 HG13 -0.09 0.06 -0.07 -0.04 1.21 1.07 1dlpB1 ILE 70 HG23 -0.02 -0.10 -0.10 -0.04 0.93 0.67 1dlpB1 ILE 70 HD13 -0.16 0.05 -0.09 -0.04 0.88 0.63 1dlpB1 LEU 71 H -0.02 0.49 0.27 -0.55 8.37 8.57 1dlpB1 LEU 71 HA 0.01 0.06 0.54 -0.75 4.35 4.21 1dlpB1 LEU 71 HB2 -0.02 0.14 0.18 -0.04 1.64 1.90 1dlpB1 LEU 71 HB3 -0.02 0.15 -0.16 -0.04 1.64 1.57 1dlpB1 LEU 71 HG -0.02 0.05 -0.12 -0.04 1.64 1.52 1dlpB1 LEU 71 HD13 -0.01 0.01 -0.26 -0.04 0.93 0.62 1dlpB1 LEU 71 HD23 0.00 -0.03 -0.11 -0.04 0.89 0.71 1dlpB1 THR 72 H 0.00 0.18 -0.10 -0.55 8.28 7.81 1dlpB1 THR 72 HA 0.00 -0.00 -0.17 -0.75 4.39 3.46 1dlpB1 THR 72 HB 0.00 -0.18 0.01 -0.04 4.32 4.11 1dlpB1 THR 72 HG23 0.00 -0.03 0.05 -0.04 1.22 1.20 1dlpB1 ALA 73 H 0.01 0.14 -0.11 -0.55 8.40 7.89 1dlpB1 ALA 73 HA 0.02 0.22 0.33 -0.75 4.34 4.15 1dlpB1 ALA 73 HB3 0.01 0.03 0.07 -0.04 1.41 1.47 1dlpB1 GLN 74 H 0.01 0.07 -0.02 -0.55 8.47 7.98 1dlpB1 GLN 74 HA 0.01 0.11 0.11 -0.75 4.36 3.83 1dlpB1 GLN 74 HB2 0.00 -0.06 0.06 -0.04 2.15 2.11 1dlpB1 GLN 74 HB3 0.00 0.06 0.15 -0.04 2.02 2.19 1dlpB1 GLN 74 HG2 0.00 0.06 0.04 -0.04 2.40 2.46 1dlpB1 GLN 74 HG3 0.00 -0.03 0.09 -0.04 2.39 2.41 1dlpB1 GLN 74 HE21 0.00 0.01 0.03 -0.04 6.97 6.97 1dlpB1 GLN 74 HE22 0.00 0.01 0.02 -0.04 7.69 7.68 1dlpB1 ASN 75 H 0.00 0.24 -0.85 -0.55 8.53 7.38 1dlpB1 ASN 75 HA 0.00 0.17 -0.13 -0.75 4.76 4.04 1dlpB1 ASN 75 HB2 0.00 -0.06 -0.81 -0.04 2.88 1.97 1dlpB1 ASN 75 HB3 0.00 -0.00 -0.03 -0.04 2.79 2.72 1dlpB1 ASN 75 HD21 0.00 -0.00 -0.04 -0.04 7.03 6.95 1dlpB1 ASN 75 HD22 0.00 -0.04 -0.06 -0.04 7.74 7.61 1dlpB1 THR 76 H 0.00 -0.05 -0.54 -0.55 8.28 7.14 1dlpB1 THR 76 HA 0.00 0.14 0.18 -0.75 4.39 3.95 1dlpB1 THR 76 HB 0.00 0.03 0.06 -0.04 4.32 4.37 1dlpB1 THR 76 HG23 0.00 0.01 0.01 -0.04 1.22 1.20 1dlpB1 ILE 77 H 0.00 0.20 0.11 -0.55 8.25 8.02 1dlpB1 ILE 77 HA 0.03 0.17 0.26 -0.75 4.18 3.88 1dlpB1 ILE 77 HB 0.01 -0.06 -0.15 -0.04 1.89 1.66 1dlpB1 ILE 77 HG12 0.01 0.06 0.02 -0.04 1.49 1.54 1dlpB1 ILE 77 HG13 0.00 -0.03 0.17 -0.04 1.21 1.31 1dlpB1 ILE 77 HG23 0.03 -0.01 -0.84 -0.04 0.93 0.07 1dlpB1 ILE 77 HD13 -0.02 0.01 -0.03 -0.04 0.88 0.79 1dlpB1 ARG 78 H 0.09 0.50 0.55 -0.55 8.46 9.06 1dlpB1 ARG 78 HA 0.05 0.09 0.79 -0.75 4.34 4.52 1dlpB1 ARG 78 HB2 0.03 0.03 -0.04 -0.04 1.90 1.88 1dlpB1 ARG 78 HB3 0.03 -0.00 0.02 -0.04 1.80 1.80 1dlpB1 ARG 78 HG2 0.02 -0.03 -0.15 -0.04 1.67 1.47 1dlpB1 ARG 78 HG3 0.01 -0.12 0.04 -0.04 1.67 1.56 1dlpB1 ARG 78 HD2 0.02 0.38 0.13 -0.04 3.22 3.71 1dlpB1 ARG 78 HD3 0.02 -0.10 0.06 -0.04 3.22 3.16 1dlpB1 TRP 79 H 0.21 0.17 0.41 -0.55 7.97 8.21 1dlpB1 TRP 79 HA -0.03 0.18 0.63 -0.75 4.62 4.65 1dlpB1 TRP 79 HB2 -0.05 0.16 -0.09 -0.04 3.23 3.21 1dlpB1 TRP 79 HB3 -0.05 -0.09 0.06 -0.04 3.23 3.11 1dlpB1 TRP 79 HD1 -0.04 0.13 0.06 -0.04 7.22 7.33 1dlpB1 TRP 79 HE1 -0.01 0.04 -0.03 -0.04 10.20 10.17 1dlpB1 TRP 79 HE3 -0.08 -0.03 -0.44 -0.04 7.59 7.00 1dlpB1 TRP 79 HZ2 0.58 0.01 -0.11 -0.04 7.44 7.89 1dlpB1 TRP 79 HZ3 -0.19 -0.02 -0.15 -0.04 7.13 6.73 1dlpB1 TRP 79 HH2 -0.23 0.01 -0.08 -0.04 7.19 6.85 1dlpB1 SER 80 H -0.54 0.34 0.21 -0.55 8.46 7.92 1dlpB1 SER 80 HA -0.14 0.37 0.76 -0.75 4.49 4.73 1dlpB1 SER 80 HB2 -0.13 -0.02 -0.02 -0.04 3.95 3.74 1dlpB1 SER 80 HB3 -0.30 -0.05 0.14 -0.04 3.93 3.67 1dlpB1 SER 81 H -0.71 0.49 0.14 -0.55 8.46 7.83 1dlpB1 SER 81 HA -1.13 0.04 0.31 -0.75 4.49 2.96 1dlpB1 SER 81 HB2 -0.90 -0.04 0.18 -0.04 3.95 3.14 1dlpB1 SER 81 HB3 -0.54 0.20 0.15 -0.04 3.93 3.70 1dlpB1 GLY 82 H -0.30 0.20 -0.05 -0.55 8.43 7.74 1dlpB1 GLY 82 HA2 -0.09 -0.04 0.28 -0.51 4.01 3.65 1dlpB1 GLY 82 HA3 -0.02 0.06 0.87 -0.51 4.01 4.42 1dlpB1 THR 83 H 0.02 0.04 0.22 -0.55 8.28 8.01 1dlpB1 THR 83 HA 0.00 -0.05 0.48 -0.75 4.39 4.07 1dlpB1 THR 83 HB 0.05 0.08 0.07 -0.04 4.32 4.48 1dlpB1 THR 83 HG23 0.09 0.01 0.16 -0.04 1.22 1.44 1dlpB1 LYS 84 H -0.03 0.30 0.30 -0.55 8.42 8.43 1dlpB1 LYS 84 HA -0.14 0.34 0.58 -0.75 4.32 4.35 1dlpB1 LYS 84 HB2 -0.04 -0.06 0.09 -0.04 1.87 1.81 1dlpB1 LYS 84 HB3 -0.07 0.01 0.12 -0.04 1.79 1.81 1dlpB1 LYS 84 HG2 -0.08 -0.08 0.02 -0.04 1.46 1.28 1dlpB1 LYS 84 HG3 -0.09 0.23 -0.10 -0.04 1.46 1.46 1dlpB1 LYS 84 HD2 -0.04 -0.05 -0.01 -0.04 1.69 1.55 1dlpB1 LYS 84 HD3 -0.07 -0.06 -0.03 -0.04 1.68 1.48 1dlpB1 LYS 84 HE2 -0.05 -0.10 -0.03 -0.04 2.99 2.77 1dlpB1 LYS 84 HE3 -0.07 0.31 -0.07 -0.04 2.99 3.13 1dlpB1 GLY 85 H -0.04 0.15 -0.15 -0.55 8.43 7.85 1dlpB1 GLY 85 HA2 0.05 0.09 0.57 -0.51 4.01 4.21 1dlpB1 GLY 85 HA3 0.10 -0.01 0.15 -0.51 4.01 3.74 1dlpB1 SER 86 H 0.18 0.09 -0.10 -0.55 8.46 8.08 1dlpB1 SER 86 HA 0.09 0.05 0.21 -0.75 4.49 4.09 1dlpB1 SER 86 HB2 0.26 0.08 -0.14 -0.04 3.95 4.11 1dlpB1 SER 86 HB3 0.24 -1.18 -0.04 -0.04 3.93 2.90 1dlpB1 ILE 87 H 0.21 -0.08 0.10 -0.55 8.25 7.93 1dlpB1 ILE 87 HA 0.23 0.29 0.62 -0.75 4.18 4.56 1dlpB1 ILE 87 HB 0.07 -0.15 -0.27 -0.04 1.89 1.50 1dlpB1 ILE 87 HG12 0.05 0.23 -0.22 -0.04 1.49 1.51 1dlpB1 ILE 87 HG13 0.06 -0.17 -0.29 -0.04 1.21 0.77 1dlpB1 ILE 87 HG23 0.09 0.03 -0.16 -0.04 0.93 0.85 1dlpB1 ILE 87 HD13 0.03 -0.02 -0.05 -0.04 0.88 0.80 1dlpB1 GLY 88 H 0.17 0.09 -0.13 -0.55 8.43 8.01 1dlpB1 GLY 88 HA2 0.09 0.19 0.82 -0.51 4.01 4.59 1dlpB1 GLY 88 HA3 0.02 -0.13 0.33 -0.51 4.01 3.71 1dlpB1 ASN 89 H 0.00 0.08 0.15 -0.55 8.53 8.21 1dlpB1 ASN 89 HA 0.13 0.11 0.38 -0.75 4.76 4.62 1dlpB1 ASN 89 HB2 0.00 -0.10 0.18 -0.04 2.88 2.92 1dlpB1 ASN 89 HB3 0.30 0.11 -0.11 -0.04 2.79 3.04 1dlpB1 ASN 89 HD21 0.18 -0.03 -0.01 -0.04 7.03 7.14 1dlpB1 ASN 89 HD22 0.10 0.01 -0.03 -0.04 7.74 7.79 1dlpB1 TYR 90 H 0.34 0.10 0.12 -0.55 8.29 8.31 1dlpB1 TYR 90 HA 0.17 0.11 0.33 -0.75 4.56 4.41 1dlpB1 TYR 90 HB2 -0.00 -0.06 0.06 -0.04 3.06 3.02 1dlpB1 TYR 90 HB3 0.03 0.38 0.21 -0.04 2.98 3.55 1dlpB1 TYR 90 HD2 0.06 0.16 -0.03 -0.04 7.15 7.30 1dlpB1 TYR 90 HE2 0.05 0.28 -0.21 -0.04 6.85 6.92 1dlpB1 VAL 91 H -0.02 0.28 0.11 -0.55 8.24 8.07 1dlpB1 VAL 91 HA -0.23 0.22 -0.17 -0.75 4.13 3.19 1dlpB1 VAL 91 HB -0.38 0.04 -0.01 -0.04 2.12 1.73 1dlpB1 VAL 91 HG13 -0.70 0.01 -0.09 -0.04 0.97 0.14 1dlpB1 VAL 91 HG23 -0.23 -0.04 -0.08 -0.04 0.95 0.57 1dlpB1 LEU 92 H -0.15 0.51 -0.05 -0.55 8.37 8.13 1dlpB1 LEU 92 HA -0.05 0.04 0.48 -0.75 4.35 4.07 1dlpB1 LEU 92 HB2 -0.04 -0.03 -0.07 -0.04 1.64 1.45 1dlpB1 LEU 92 HB3 -0.08 -0.01 0.00 -0.04 1.64 1.52 1dlpB1 LEU 92 HG 0.10 0.10 -0.22 -0.04 1.64 1.58 1dlpB1 LEU 92 HD13 0.03 -0.01 -0.19 -0.04 0.93 0.72 1dlpB1 LEU 92 HD23 0.03 -0.02 -0.32 -0.04 0.89 0.54 1dlpB1 VAL 93 H -0.14 0.55 0.14 -0.55 8.24 8.24 1dlpB1 VAL 93 HA -0.08 0.15 0.72 -0.75 4.13 4.18 1dlpB1 VAL 93 HB -0.08 0.04 0.22 -0.04 2.12 2.27 1dlpB1 VAL 93 HG13 -0.05 -0.03 -0.08 -0.04 0.97 0.77 1dlpB1 VAL 93 HG23 -0.01 0.04 -0.42 -0.04 0.95 0.51 1dlpB1 LEU 94 H 0.00 0.61 0.17 -0.55 8.37 8.60 1dlpB1 LEU 94 HA -0.03 0.20 0.79 -0.75 4.35 4.56 1dlpB1 LEU 94 HB2 0.11 -0.03 0.01 -0.04 1.64 1.69 1dlpB1 LEU 94 HB3 0.12 0.07 0.13 -0.04 1.64 1.92 1dlpB1 LEU 94 HG -0.09 0.07 -0.13 -0.04 1.64 1.45 1dlpB1 LEU 94 HD13 -0.04 -0.01 -0.12 -0.04 0.93 0.72 1dlpB1 LEU 94 HD23 0.13 -0.03 0.01 -0.04 0.89 0.97 1dlpB1 GLN 95 H -0.13 0.24 0.05 -0.55 8.47 8.09 1dlpB1 GLN 95 HA -0.03 0.35 1.00 -0.75 4.36 4.92 1dlpB1 GLN 95 HB2 -0.06 -0.33 -0.10 -0.04 2.15 1.62 1dlpB1 GLN 95 HB3 -0.02 0.07 0.10 -0.04 2.02 2.13 1dlpB1 GLN 95 HG2 -0.04 0.02 -0.30 -0.04 2.40 2.04 1dlpB1 GLN 95 HG3 -0.06 0.01 -0.01 -0.04 2.39 2.29 1dlpB1 GLN 95 HE21 0.24 -0.02 -0.10 -0.04 6.97 7.04 1dlpB1 GLN 95 HE22 0.01 -0.01 -0.15 -0.04 7.69 7.50 1dlpB1 PRO 96 HA 0.07 0.11 0.43 -0.51 4.44 4.54 1dlpB1 PRO 96 HB2 0.05 0.02 0.05 -0.04 2.28 2.36 1dlpB1 PRO 96 HB3 0.08 0.08 0.12 -0.04 2.02 2.26 1dlpB1 PRO 96 HG2 0.02 0.14 0.10 -0.04 2.03 2.25 1dlpB1 PRO 96 HG3 0.03 0.05 0.05 -0.04 2.03 2.12 1dlpB1 PRO 96 HD2 -0.03 0.07 0.17 -0.04 3.68 3.85 1dlpB1 PRO 96 HD3 -0.02 0.11 0.21 -0.04 3.65 3.91 1dlpB1 ASP 97 H -0.06 0.05 -0.14 -0.55 8.40 7.71 1dlpB1 ASP 97 HA -0.04 0.21 0.60 -0.75 4.63 4.65 1dlpB1 ASP 97 HB2 -0.02 0.08 0.10 -0.04 2.71 2.83 1dlpB1 ASP 97 HB3 -0.02 0.06 0.01 -0.04 2.70 2.71 1dlpB1 ARG 98 H -0.51 0.33 -0.50 -0.55 8.46 7.23 1dlpB1 ARG 98 HA -0.72 -0.02 0.14 -0.75 4.34 2.99 1dlpB1 ARG 98 HB2 -0.93 0.02 -0.16 -0.04 1.90 0.79 1dlpB1 ARG 98 HB3 -0.29 0.15 0.14 -0.04 1.80 1.77 1dlpB1 ARG 98 HG2 -0.40 -0.05 -0.02 -0.04 1.67 1.16 1dlpB1 ARG 98 HG3 0.07 0.02 -0.04 -0.04 1.67 1.67 1dlpB1 ARG 98 HD2 -0.08 0.06 0.01 -0.04 3.22 3.17 1dlpB1 ARG 98 HD3 -0.14 -0.06 0.03 -0.04 3.22 3.01 1dlpB1 THR 99 H -0.19 -0.06 -0.38 -0.55 8.28 7.11 1dlpB1 THR 99 HA -0.26 0.40 1.10 -0.75 4.39 4.87 1dlpB1 THR 99 HB -0.18 0.16 -0.11 -0.04 4.32 4.15 1dlpB1 THR 99 HG23 -0.09 -0.01 -0.08 -0.04 1.22 1.00 1dlpB1 VAL 100 H -0.39 0.12 0.10 -0.55 8.24 7.53 1dlpB1 VAL 100 HA -0.04 0.18 0.85 -0.75 4.13 4.37 1dlpB1 VAL 100 HB 0.10 0.05 0.06 -0.04 2.12 2.29 1dlpB1 VAL 100 HG13 -0.16 -0.01 -0.23 -0.04 0.97 0.52 1dlpB1 VAL 100 HG23 -0.50 0.00 -0.08 -0.04 0.95 0.33 1dlpB1 THR 101 H -0.03 0.79 0.19 -0.55 8.28 8.67 1dlpB1 THR 101 HA 0.19 0.08 -0.23 -0.75 4.39 3.68 1dlpB1 THR 101 HB -0.26 -0.08 -0.10 -0.04 4.32 3.84 1dlpB1 THR 101 HG23 -0.57 -0.04 -0.28 -0.04 1.22 0.29 1dlpB1 ILE 102 H 0.15 0.62 0.25 -0.55 8.25 8.73 1dlpB1 ILE 102 HA -0.11 0.29 1.02 -0.75 4.18 4.63 1dlpB1 ILE 102 HB 0.18 -0.04 0.20 -0.04 1.89 2.19 1dlpB1 ILE 102 HG12 -0.07 -0.01 -0.13 -0.04 1.49 1.24 1dlpB1 ILE 102 HG13 -0.02 -0.07 -0.07 -0.04 1.21 1.01 1dlpB1 ILE 102 HG23 0.05 0.04 -0.14 -0.04 0.93 0.84 1dlpB1 ILE 102 HD13 -0.20 0.03 -0.12 -0.04 0.88 0.56 1dlpB1 TYR 103 H -0.09 0.44 0.26 -0.55 8.29 8.35 1dlpB1 TYR 103 HA 0.13 -0.01 0.77 -0.75 4.56 4.70 1dlpB1 TYR 103 HB2 0.11 0.01 -0.01 -0.04 3.06 3.12 1dlpB1 TYR 103 HB3 0.09 -0.19 -0.06 -0.04 2.98 2.78 1dlpB1 TYR 103 HD2 0.11 -0.08 -0.09 -0.04 7.15 7.05 1dlpB1 TYR 103 HE2 0.11 0.00 -0.14 -0.04 6.85 6.78 1dlpB1 GLY 104 H 0.18 -0.29 0.01 -0.55 8.43 7.78 1dlpB1 GLY 104 HA2 -0.27 0.11 0.66 -0.51 4.01 3.99 1dlpB1 GLY 104 HA3 0.52 0.07 -0.07 -0.51 4.01 4.02 1dlpB1 PRO 105 HA -0.31 -0.06 0.17 -0.51 4.44 3.74 1dlpB1 PRO 105 HB2 -0.17 0.05 -0.43 -0.04 2.28 1.69 1dlpB1 PRO 105 HB3 -0.13 -0.16 -0.62 -0.04 2.02 1.07 1dlpB1 PRO 105 HG2 -0.04 0.17 -0.02 -0.04 2.03 2.10 1dlpB1 PRO 105 HG3 -0.05 -0.11 0.00 -0.04 2.03 1.84 1dlpB1 PRO 105 HD2 -0.06 0.30 -1.10 -0.04 3.68 2.78 1dlpB1 PRO 105 HD3 0.03 0.44 1.23 -0.04 3.65 5.30 1dlpB1 GLY 106 H -0.17 -0.07 0.01 -0.55 8.43 7.66 1dlpB1 GLY 106 HA2 -0.56 0.08 0.08 -0.51 4.01 3.10 1dlpB1 GLY 106 HA3 -0.21 -0.06 0.29 -0.51 4.01 3.52 1dlpB1 LEU 107 H -0.10 0.09 -0.12 -0.55 8.37 7.69 1dlpB1 LEU 107 HA 0.00 -0.04 0.34 -0.75 4.35 3.90 1dlpB1 LEU 107 HB2 -0.03 -0.14 0.04 -0.04 1.64 1.47 1dlpB1 LEU 107 HB3 -0.09 0.42 0.59 -0.04 1.64 2.51 1dlpB1 LEU 107 HG 0.09 0.04 0.10 -0.04 1.64 1.84 1dlpB1 LEU 107 HD13 0.11 0.05 -0.01 -0.04 0.93 1.05 1dlpB1 LEU 107 HD23 0.11 -0.00 0.07 -0.04 0.89 1.03 1dlpB1 TRP 108 H 0.07 0.17 0.23 -0.55 7.97 7.89 1dlpB1 TRP 108 HA -0.05 0.02 0.54 -0.75 4.62 4.37 1dlpB1 TRP 108 HB2 -0.04 0.14 0.06 -0.04 3.23 3.34 1dlpB1 TRP 108 HB3 -0.06 -0.05 -0.17 -0.04 3.23 2.90 1dlpB1 TRP 108 HD1 0.00 0.00 0.05 -0.04 7.22 7.24 1dlpB1 TRP 108 HE1 0.15 0.04 0.07 -0.04 10.20 10.42 1dlpB1 TRP 108 HE3 -0.20 -0.02 -0.15 -0.04 7.59 7.18 1dlpB1 TRP 108 HZ2 0.58 0.04 -0.04 -0.04 7.44 7.98 1dlpB1 TRP 108 HZ3 -0.31 0.00 -0.14 -0.04 7.13 6.65 1dlpB1 TRP 108 HH2 -0.32 0.03 -0.09 -0.04 7.19 6.77 1dlpB1 ASP 109 H -0.44 0.11 0.10 -0.55 8.40 7.61 1dlpB1 ASP 109 HA -0.49 0.33 -0.15 -0.75 4.63 3.57 1dlpB1 ASP 109 HB2 -0.39 -0.23 -0.53 -0.04 2.71 1.52 1dlpB1 ASP 109 HB3 -0.41 -0.16 0.09 -0.04 2.70 2.18 1dlpB1 SER 110 H -0.70 0.19 0.11 -0.55 8.46 7.52 1dlpB1 SER 110 HA -0.78 0.16 0.38 -0.75 4.49 3.50 1dlpB1 SER 110 HB2 -0.44 -0.13 0.10 -0.04 3.95 3.44 1dlpB1 SER 110 HB3 -0.49 0.06 0.01 -0.04 3.93 3.47 1dlpB1 GLY 111 H -0.30 0.06 -0.23 -0.55 8.43 7.42 1dlpB1 GLY 111 HA2 -0.12 0.03 0.30 -0.51 4.01 3.71 1dlpB1 GLY 111 HA3 -0.08 0.11 0.14 -0.51 4.01 3.67 1dlpB1 THR 112 H -0.09 0.29 0.05 -0.55 8.28 7.98 1dlpB1 THR 112 HA 0.00 0.06 0.48 -0.75 4.39 4.17 1dlpB1 THR 112 HB 0.06 0.07 0.20 -0.04 4.32 4.61 1dlpB1 THR 112 HG23 -0.11 0.08 0.12 -0.04 1.22 1.27 1dlpB1 SER 113 H -0.05 0.08 -0.30 -0.55 8.46 7.64 1dlpB1 SER 113 HA -0.03 0.34 0.12 -0.75 4.49 4.16 1dlpB1 SER 113 HB2 -0.02 -0.01 0.01 -0.04 3.95 3.90 1dlpB1 SER 113 HB3 -0.01 0.02 0.06 -0.04 3.93 3.97 1dlpB1 ASN 123 HA 0.02 -0.23 0.26 -0.75 4.76 4.06 1dlpB1 ASN 123 HB2 0.02 0.05 0.13 -0.04 2.88 3.04 1dlpB1 ASN 123 HB3 0.02 0.04 0.10 -0.04 2.79 2.91 1dlpB1 ASN 123 HD21 0.02 0.01 0.08 -0.04 7.03 7.10 1dlpB1 ASN 123 HD22 0.03 -0.07 0.11 -0.04 7.74 7.77 1dlpB1 GLY 124 H 0.02 0.00 0.18 -0.55 8.43 8.09 1dlpB1 GLY 124 HA2 0.02 -0.03 0.43 -0.51 4.01 3.92 1dlpB1 GLY 124 HA3 0.02 0.06 0.38 -0.51 4.01 3.96 1dlpB1 ASN 125 H 0.02 0.24 0.24 -0.55 8.53 8.48 1dlpB1 ASN 125 HA -0.02 0.08 0.50 -0.75 4.76 4.57 1dlpB1 ASN 125 HB2 0.03 -0.06 0.08 -0.04 2.88 2.88 1dlpB1 ASN 125 HB3 0.04 0.12 0.16 -0.04 2.79 3.07 1dlpB1 ASN 125 HD21 0.03 -0.03 0.05 -0.04 7.03 7.04 1dlpB1 ASN 125 HD22 0.02 -0.14 0.10 -0.04 7.74 7.68 1dlpB1 SER 126 H -0.02 0.00 0.01 -0.55 8.46 7.90 1dlpB1 SER 126 HA -0.10 -0.02 0.43 -0.75 4.49 4.05 1dlpB1 SER 126 HB2 -0.02 0.00 0.19 -0.04 3.95 4.09 1dlpB1 SER 126 HB3 -0.02 0.06 0.02 -0.04 3.93 3.95 1dlpB1 ILE 127 H -0.10 0.29 -0.11 -0.55 8.25 7.78 1dlpB1 ILE 127 HA -0.03 -0.04 0.04 -0.75 4.18 3.39 1dlpB1 ILE 127 HB -0.02 -0.05 0.12 -0.04 1.89 1.90 1dlpB1 ILE 127 HG12 0.05 0.26 -0.08 -0.04 1.49 1.68 1dlpB1 ILE 127 HG13 0.06 -0.14 -0.20 -0.04 1.21 0.89 1dlpB1 ILE 127 HG23 -0.27 -0.04 -0.23 -0.04 0.93 0.35 1dlpB1 ILE 127 HD13 0.26 -0.03 -0.12 -0.04 0.88 0.95 1dlpB1 LEU 128 H -0.12 0.33 0.11 -0.55 8.37 8.15 1dlpB1 LEU 128 HA -0.49 -0.03 0.47 -0.75 4.35 3.55 1dlpB1 LEU 128 HB2 -0.43 0.22 -0.00 -0.04 1.64 1.39 1dlpB1 LEU 128 HB3 -1.25 -0.13 0.10 -0.04 1.64 0.32 1dlpB1 LEU 128 HG -0.18 -0.02 -0.12 -0.04 1.64 1.28 1dlpB1 LEU 128 HD13 -0.05 -0.02 -0.17 -0.04 0.93 0.65 1dlpB1 LEU 128 HD23 -0.17 -0.02 -0.06 -0.04 0.89 0.60 1dlpB1 TYR 129 H -1.26 -0.09 0.17 -0.55 8.29 6.55 1dlpB1 TYR 129 HA 0.04 0.26 0.04 -0.75 4.56 4.15 1dlpB1 TYR 129 HB2 -0.03 0.10 -0.70 -0.04 3.06 2.40 1dlpB1 TYR 129 HB3 -0.02 0.03 -0.04 -0.04 2.98 2.91 1dlpB1 TYR 129 HD2 -0.05 -0.20 0.29 -0.04 7.15 7.14 1dlpB1 TYR 129 HE2 -0.05 -0.04 -0.00 -0.04 6.85 6.71 1dlpB1 SER 130 H 0.50 -0.40 -0.32 -0.55 8.46 7.69 1dlpB1 SER 130 HA 0.10 0.06 0.11 -0.75 4.49 4.01 1dlpB1 SER 130 HB2 0.06 0.56 0.81 -0.04 3.95 5.33 1dlpB1 SER 130 HB3 0.02 -0.15 0.22 -0.04 3.93 3.99 1dlpB1 THR 131 H 0.61 -0.03 0.26 -0.55 8.28 8.58 1dlpB1 THR 131 HA -0.01 0.18 -0.58 -0.75 4.39 3.22 1dlpB1 THR 131 HB -0.60 -0.15 0.27 -0.04 4.32 3.80 1dlpB1 THR 131 HG23 -0.10 0.02 -0.05 -0.04 1.22 1.04 1dlpB1 GLN 132 H 0.01 0.09 0.07 -0.55 8.47 8.10 1dlpB1 GLN 132 HA 0.05 0.87 1.93 -0.75 4.36 6.46 1dlpB1 GLN 132 HB2 0.02 0.05 0.04 -0.04 2.15 2.22 1dlpB1 GLN 132 HB3 -0.00 -0.05 0.04 -0.04 2.02 1.96 1dlpB1 GLN 132 HG2 0.02 -0.05 0.07 -0.04 2.40 2.40 1dlpB1 GLN 132 HG3 0.02 0.09 0.12 -0.04 2.39 2.57 1dlpB1 GLN 132 HE21 -0.01 -0.02 0.01 -0.04 6.97 6.91 1dlpB1 GLN 132 HE22 0.00 0.03 0.02 -0.04 7.69 7.71 1dlpB1 ASN 136 HA -0.05 -0.03 0.22 -0.75 4.76 4.15 1dlpB1 HIS 137 H 0.07 0.07 0.13 -0.55 8.41 8.12 1dlpB1 HIS 137 HA -0.05 0.20 0.73 -0.75 4.63 4.76 1dlpB1 HIS 137 HB2 0.02 -0.03 -0.03 -0.04 3.26 3.17 1dlpB1 HIS 137 HB3 0.02 -0.03 -0.12 -0.04 3.20 3.03 1dlpB1 HIS 137 HD2 0.03 -0.06 -0.18 -0.04 6.97 6.71 1dlpB1 HIS 137 HE1 0.04 -0.03 -0.12 -0.04 7.75 7.61 1dlpB1 PRO 138 HA 0.12 0.03 0.29 -0.51 4.44 4.37 1dlpB1 PRO 138 HB2 0.04 0.04 0.02 -0.04 2.28 2.34 1dlpB1 PRO 138 HB3 0.07 0.09 0.20 -0.04 2.02 2.33 1dlpB1 PRO 138 HG2 0.01 0.23 0.16 -0.04 2.03 2.40 1dlpB1 PRO 138 HG3 0.03 -0.00 0.15 -0.04 2.03 2.18 1dlpB1 PRO 138 HD2 0.04 0.09 0.60 -0.04 3.68 4.37 1dlpB1 PRO 138 HD3 0.06 0.02 -0.05 -0.04 3.65 3.64 1dlpB1 GLN 139 H 0.12 0.19 0.19 -0.55 8.47 8.42 1dlpB1 GLN 139 HA 0.05 0.33 0.95 -0.75 4.36 4.94 1dlpB1 GLN 139 HB2 0.07 0.06 -0.25 -0.04 2.15 1.99 1dlpB1 GLN 139 HB3 0.37 -0.05 -0.02 -0.04 2.02 2.28 1dlpB1 GLN 139 HG2 0.12 -0.00 0.03 -0.04 2.40 2.51 1dlpB1 GLN 139 HG3 0.08 0.11 -0.04 -0.04 2.39 2.50 1dlpB1 GLN 139 HE21 0.06 0.31 0.11 -0.04 6.97 7.40 1dlpB1 GLN 139 HE22 0.13 -0.03 0.05 -0.04 7.69 7.80 1dlpB1 THR 140 H 0.08 0.16 0.18 -0.55 8.28 8.15 1dlpB1 THR 140 HA 0.02 0.20 0.39 -0.75 4.39 4.25 1dlpB1 THR 140 HB 0.00 0.21 0.25 -0.04 4.32 4.75 1dlpB1 THR 140 HG23 0.08 -0.01 -0.30 -0.04 1.22 0.94 1dlpB1 LEU 141 H -0.07 0.71 0.27 -0.55 8.37 8.74 1dlpB1 LEU 141 HA 0.08 0.01 0.60 -0.75 4.35 4.29 1dlpB1 LEU 141 HB2 0.04 0.03 -0.02 -0.04 1.64 1.65 1dlpB1 LEU 141 HB3 0.03 -0.06 0.05 -0.04 1.64 1.62 1dlpB1 LEU 141 HG 0.06 -0.00 -0.04 -0.04 1.64 1.62 1dlpB1 LEU 141 HD13 0.04 0.01 -0.23 -0.04 0.93 0.72 1dlpB1 LEU 141 HD23 0.05 0.06 -0.07 -0.04 0.89 0.90 1dlpB1 HIS 142 H 0.17 -0.02 0.23 -0.55 8.41 8.24 1dlpB1 HIS 142 HA 0.03 0.27 0.63 -0.75 4.63 4.80 1dlpB1 HIS 142 HB2 0.02 -0.08 0.10 -0.04 3.26 3.26 1dlpB1 HIS 142 HB3 0.02 0.03 0.03 -0.04 3.20 3.24 1dlpB1 HIS 142 HD2 0.02 0.03 -0.06 -0.04 6.97 6.91 1dlpB1 HIS 142 HE1 0.02 -0.02 -0.13 -0.04 7.75 7.57 1dlpB1 ALA 143 H 0.09 -0.12 0.27 -0.55 8.40 8.10 1dlpB1 ALA 143 HA 0.06 0.41 0.21 -0.75 4.34 4.27 1dlpB1 ALA 143 HB3 0.06 0.01 0.27 -0.04 1.41 1.71 1dlpB1 THR 144 H 0.04 0.09 0.05 -0.55 8.28 7.91 1dlpB1 THR 144 HA 0.04 -0.02 0.18 -0.75 4.39 3.84 1dlpB1 THR 144 HB 0.02 0.08 0.16 -0.04 4.32 4.55 1dlpB1 THR 144 HG23 0.02 -0.00 0.02 -0.04 1.22 1.22 1dlpB1 GLN 145 H 0.06 -0.04 -0.69 -0.55 8.47 7.26 1dlpB1 GLN 145 HA 0.05 0.19 1.06 -0.75 4.36 4.91 1dlpB1 GLN 145 HB2 0.10 0.24 0.16 -0.04 2.15 2.61 1dlpB1 GLN 145 HB3 0.11 -0.30 0.39 -0.04 2.02 2.17 1dlpB1 GLN 145 HG2 0.08 0.04 0.07 -0.04 2.40 2.55 1dlpB1 GLN 145 HG3 0.06 0.06 0.21 -0.04 2.39 2.68 1dlpB1 GLN 145 HE21 0.15 0.03 0.11 -0.04 6.97 7.22 1dlpB1 GLN 145 HE22 0.09 -0.02 0.13 -0.04 7.69 7.84 1dlpB1 SER 146 H 0.05 0.12 0.12 -0.55 8.46 8.20 1dlpB1 SER 146 HA 0.06 0.25 0.77 -0.75 4.49 4.81 1dlpB1 SER 146 HB2 0.06 -0.08 -0.34 -0.04 3.95 3.54 1dlpB1 SER 146 HB3 0.06 0.06 -0.28 -0.04 3.93 3.72 1dlpB1 LEU 147 H 0.03 0.05 0.10 -0.55 8.37 8.01 1dlpB1 LEU 147 HA 0.01 0.11 0.43 -0.75 4.35 4.15 1dlpB1 LEU 147 HB2 0.00 0.48 0.16 -0.04 1.64 2.25 1dlpB1 LEU 147 HB3 0.00 -0.31 -0.07 -0.04 1.64 1.22 1dlpB1 LEU 147 HG -0.08 -0.05 -0.01 -0.04 1.64 1.45 1dlpB1 LEU 147 HD13 -0.11 -0.02 -0.15 -0.04 0.93 0.62 1dlpB1 LEU 147 HD23 -0.03 -0.03 -0.18 -0.04 0.89 0.60 1dlpB1 GLN 148 H 0.03 0.30 0.05 -0.55 8.47 8.30 1dlpB1 GLN 148 HA 0.09 -0.02 0.95 -0.75 4.36 4.63 1dlpB1 GLN 148 HB2 0.06 0.28 0.11 -0.04 2.15 2.56 1dlpB1 GLN 148 HB3 0.07 -0.06 -0.09 -0.04 2.02 1.91 1dlpB1 GLN 148 HG2 0.04 0.13 -0.15 -0.04 2.40 2.38 1dlpB1 GLN 148 HG3 0.05 -0.10 -0.19 -0.04 2.39 2.10 1dlpB1 GLN 148 HE21 0.02 -0.02 -0.07 -0.04 6.97 6.86 1dlpB1 GLN 148 HE22 0.03 -0.08 -0.15 -0.04 7.69 7.46 1dlpB1 LEU 149 H 0.12 0.42 0.09 -0.55 8.37 8.45 1dlpB1 LEU 149 HA 0.04 0.31 0.80 -0.75 4.35 4.74 1dlpB1 LEU 149 HB2 0.18 -0.10 0.01 -0.04 1.64 1.68 1dlpB1 LEU 149 HB3 -0.10 -0.02 -0.01 -0.04 1.64 1.47 1dlpB1 LEU 149 HG 0.05 0.10 0.21 -0.04 1.64 1.95 1dlpB1 LEU 149 HD13 0.16 -0.01 -0.11 -0.04 0.93 0.93 1dlpB1 LEU 149 HD23 0.02 -0.00 0.21 -0.04 0.89 1.08 1dlpB1 SER 150 H -0.05 -0.07 -0.10 -0.55 8.46 7.69 1dlpB1 SER 150 HA -0.04 0.35 1.08 -0.75 4.49 5.12 1dlpB1 SER 150 HB2 -0.11 0.11 -0.51 -0.04 3.95 3.40 1dlpB1 SER 150 HB3 -0.29 -0.06 -0.04 -0.04 3.93 3.50 1dlpB1 PRO 151 HA 0.04 0.08 0.41 -0.51 4.44 4.46 1dlpB1 PRO 151 HB2 0.08 0.01 -0.01 -0.04 2.28 2.32 1dlpB1 PRO 151 HB3 0.02 0.03 0.10 -0.04 2.02 2.13 1dlpB1 PRO 151 HG2 0.22 0.05 0.08 -0.04 2.03 2.34 1dlpB1 PRO 151 HG3 0.02 0.10 0.08 -0.04 2.03 2.19 1dlpB1 PRO 151 HD2 -0.43 0.09 0.19 -0.04 3.68 3.49 1dlpB1 PRO 151 HD3 -0.12 0.17 0.19 -0.04 3.65 3.85 1dlpB1 TYR 152 H 0.05 -0.01 -0.22 -0.55 8.29 7.56 1dlpB1 TYR 152 HA 0.08 0.30 0.26 -0.75 4.56 4.44 1dlpB1 TYR 152 HB2 0.04 -0.38 -0.22 -0.04 3.06 2.46 1dlpB1 TYR 152 HB3 0.04 0.04 -0.31 -0.04 2.98 2.71 1dlpB1 TYR 152 HD2 0.03 -0.09 -0.07 -0.04 7.15 6.98 1dlpB1 TYR 152 HE2 0.02 0.19 -0.01 -0.04 6.85 7.00 1dlpB1 ARG 153 H 0.20 0.22 0.23 -0.55 8.46 8.56 1dlpB1 ARG 153 HA 0.13 0.01 0.78 -0.75 4.34 4.51 1dlpB1 ARG 153 HB2 0.13 0.11 -0.25 -0.04 1.90 1.85 1dlpB1 ARG 153 HB3 0.11 0.08 -0.22 -0.04 1.80 1.73 1dlpB1 ARG 153 HG2 0.14 0.18 -0.14 -0.04 1.67 1.81 1dlpB1 ARG 153 HG3 0.28 -0.15 0.17 -0.04 1.67 1.92 1dlpB1 ARG 153 HD2 0.10 0.07 -0.19 -0.04 3.22 3.17 1dlpB1 ARG 153 HD3 0.04 0.02 -0.10 -0.04 3.22 3.14 1dlpB1 LEU 154 H 0.06 0.51 0.21 -0.55 8.37 8.60 1dlpB1 LEU 154 HA 0.07 0.08 0.93 -0.75 4.35 4.67 1dlpB1 LEU 154 HB2 0.01 -0.16 0.04 -0.04 1.64 1.49 1dlpB1 LEU 154 HB3 0.01 0.03 0.27 -0.04 1.64 1.92 1dlpB1 LEU 154 HG 0.02 -0.10 -0.01 -0.04 1.64 1.51 1dlpB1 LEU 154 HD13 0.12 -0.01 -0.02 -0.04 0.93 0.98 1dlpB1 LEU 154 HD23 0.02 -0.00 -0.07 -0.04 0.89 0.80 1dlpB1 SER 155 H 0.13 0.07 0.11 -0.55 8.46 8.22 1dlpB1 SER 155 HA 0.08 0.19 0.42 -0.75 4.49 4.43 1dlpB1 SER 155 HB2 0.13 -0.03 -0.17 -0.04 3.95 3.84 1dlpB1 SER 155 HB3 0.24 -0.03 -0.06 -0.04 3.93 4.04 1dlpB1 MET 156 H 0.07 0.26 0.18 -0.55 8.47 8.44 1dlpB1 MET 156 HA 0.03 0.16 0.58 -0.75 4.52 4.53 1dlpB1 MET 156 HB2 0.05 0.03 0.01 -0.04 2.15 2.20 1dlpB1 MET 156 HB3 0.06 -0.18 0.21 -0.04 2.03 2.08 1dlpB1 MET 156 HG2 0.02 -0.13 -0.22 -0.04 2.63 2.26 1dlpB1 MET 156 HG3 0.05 0.08 -0.27 -0.04 2.56 2.38 1dlpB1 MET 156 HE3 0.00 -0.03 -0.33 -0.04 2.10 1.70 1dlpB1 GLU 157 H 0.02 0.62 0.14 -0.55 8.60 8.84 1dlpB1 GLU 157 HA 0.06 -0.12 -0.25 -0.75 4.29 3.22 1dlpB1 GLU 157 HB2 0.02 -0.18 -0.10 -0.04 2.09 1.79 1dlpB1 GLU 157 HB3 0.04 -0.13 0.04 -0.04 1.99 1.90 1dlpB1 GLU 157 HG2 0.01 0.11 -0.04 -0.04 2.34 2.37 1dlpB1 GLU 157 HG3 0.01 -0.05 0.05 -0.04 2.34 2.30 1dlpB1 THR 158 H 0.04 -0.04 0.05 -0.55 8.28 7.78 1dlpB1 THR 158 HA 0.04 0.27 0.64 -0.75 4.39 4.58 1dlpB1 THR 158 HB 0.03 0.10 0.23 -0.04 4.32 4.64 1dlpB1 THR 158 HG23 0.03 -0.05 0.18 -0.04 1.22 1.35 1dlpB1 ASP 159 H 0.03 -0.01 0.08 -0.55 8.40 7.95 1dlpB1 ASP 159 HA 0.02 0.19 0.06 -0.75 4.63 4.14 1dlpB1 ASP 159 HB2 0.01 0.09 0.16 -0.04 2.71 2.93 1dlpB1 ASP 159 HB3 0.02 -0.08 0.19 -0.04 2.70 2.79 1dlpB1 CYS 160 H 0.02 0.37 -0.10 -0.55 8.50 8.24 1dlpB1 CYS 160 HA 0.01 0.35 0.34 -0.75 4.58 4.53 1dlpB1 CYS 160 HB2 0.01 0.17 0.28 -0.04 2.97 3.39 1dlpB1 CYS 160 HB3 0.01 -0.07 -0.03 -0.04 2.97 2.83 1dlpB1 ASN 161 H -0.01 -0.20 -0.07 -0.55 8.53 7.71 1dlpB1 ASN 161 HA -0.09 0.07 0.25 -0.75 4.76 4.23 1dlpB1 ASN 161 HB2 -0.03 0.05 0.04 -0.04 2.88 2.90 1dlpB1 ASN 161 HB3 -0.04 -0.12 0.11 -0.04 2.79 2.71 1dlpB1 ASN 161 HD21 -0.09 -0.02 -0.09 -0.04 7.03 6.79 1dlpB1 ASN 161 HD22 -0.04 -0.00 -0.05 -0.04 7.74 7.61 1dlpB1 LEU 162 H -0.15 -0.09 0.21 -0.55 8.37 7.80 1dlpB1 LEU 162 HA -0.01 0.31 0.43 -0.75 4.35 4.33 1dlpB1 LEU 162 HB2 -0.21 -0.04 0.07 -0.04 1.64 1.41 1dlpB1 LEU 162 HB3 0.09 -0.01 0.14 -0.04 1.64 1.82 1dlpB1 LEU 162 HG -0.17 -0.02 -0.08 -0.04 1.64 1.33 1dlpB1 LEU 162 HD13 -0.07 -0.01 -0.11 -0.04 0.93 0.71 1dlpB1 LEU 162 HD23 0.04 0.04 -0.18 -0.04 0.89 0.74 1dlpB1 VAL 163 H -0.07 0.04 -0.09 -0.55 8.24 7.57 1dlpB1 VAL 163 HA -0.02 0.34 0.23 -0.75 4.13 3.92 1dlpB1 VAL 163 HB -0.46 -0.04 0.06 -0.04 2.12 1.64 1dlpB1 VAL 163 HG13 -0.13 -0.03 0.03 -0.04 0.97 0.79 1dlpB1 VAL 163 HG23 -1.13 0.01 -0.05 -0.04 0.95 -0.26 1dlpB1 LEU 164 H -0.07 0.28 0.41 -0.55 8.37 8.45 1dlpB1 LEU 164 HA -0.01 0.31 0.56 -0.75 4.35 4.45 1dlpB1 LEU 164 HB2 0.06 -0.18 0.13 -0.04 1.64 1.61 1dlpB1 LEU 164 HB3 -0.01 0.01 -0.83 -0.04 1.64 0.77 1dlpB1 LEU 164 HG -0.00 0.15 0.06 -0.04 1.64 1.81 1dlpB1 LEU 164 HD13 -0.09 -0.01 -0.14 -0.04 0.93 0.65 1dlpB1 LEU 164 HD23 -0.11 -0.01 -0.21 -0.04 0.89 0.51 1dlpB1 PHE 165 H 0.24 0.40 0.24 -0.55 8.34 8.66 1dlpB1 PHE 165 HA 0.05 0.26 0.48 -0.75 4.62 4.65 1dlpB1 PHE 165 HB2 0.06 0.25 0.22 -0.04 3.15 3.64 1dlpB1 PHE 165 HB3 0.05 -0.18 -0.01 -0.04 3.06 2.89 1dlpB1 PHE 165 HD2 0.04 0.01 -0.24 -0.04 7.28 7.05 1dlpB1 PHE 165 HE2 0.03 0.01 -0.12 -0.04 7.38 7.26 1dlpB1 PHE 165 HZ 0.02 0.01 -0.07 -0.04 7.32 7.24 1dlpB1 ASP 166 H 0.20 0.56 0.19 -0.55 8.40 8.81 1dlpB1 ASP 166 HA 0.20 0.26 0.98 -0.75 4.63 5.32 1dlpB1 ASP 166 HB2 0.06 0.06 0.00 -0.04 2.71 2.79 1dlpB1 ASP 166 HB3 0.10 0.04 0.19 -0.04 2.70 2.99 1dlpB1 ARG 167 H 0.12 -0.02 -0.14 -0.55 8.46 7.87 1dlpB1 ARG 167 HA 0.06 0.09 0.20 -0.75 4.34 3.94 1dlpB1 ARG 167 HB2 0.03 -0.03 0.43 -0.04 1.90 2.29 1dlpB1 ARG 167 HB3 0.03 -0.02 0.14 -0.04 1.80 1.92 1dlpB1 ARG 167 HG2 0.05 0.02 0.06 -0.04 1.67 1.76 1dlpB1 ARG 167 HG3 0.03 -0.01 0.11 -0.04 1.67 1.76 1dlpB1 ARG 167 HD2 0.02 -0.00 0.04 -0.04 3.22 3.23 1dlpB1 ARG 167 HD3 0.02 -0.00 0.04 -0.04 3.22 3.23 1dlpB1 ASP 168 H -0.01 -0.13 0.05 -0.55 8.40 7.77 1dlpB1 ASP 168 HA -0.16 0.00 0.38 -0.75 4.63 4.09 1dlpB1 ASP 168 HB2 -0.22 -0.01 0.03 -0.04 2.71 2.47 1dlpB1 ASP 168 HB3 -0.07 0.10 -0.22 -0.04 2.70 2.47 1dlpB1 ASP 169 H 0.18 -0.13 -0.27 -0.55 8.40 7.64 1dlpB1 ASP 169 HA 0.28 -0.13 0.24 -0.75 4.63 4.27 1dlpB1 ASP 169 HB2 0.10 -0.02 0.17 -0.04 2.71 2.91 1dlpB1 ASP 169 HB3 0.07 0.30 -0.18 -0.04 2.70 2.85 1dlpB1 ARG 170 H 0.22 0.18 0.07 -0.55 8.46 8.38 1dlpB1 ARG 170 HA -0.11 0.14 0.43 -0.75 4.34 4.04 1dlpB1 ARG 170 HB2 -0.01 0.04 0.11 -0.04 1.90 1.99 1dlpB1 ARG 170 HB3 -0.17 -0.02 0.03 -0.04 1.80 1.60 1dlpB1 ARG 170 HG2 0.41 -0.06 0.01 -0.04 1.67 1.99 1dlpB1 ARG 170 HG3 0.13 0.03 0.10 -0.04 1.67 1.89 1dlpB1 ARG 170 HD2 0.16 -0.02 -0.02 -0.04 3.22 3.30 1dlpB1 ARG 170 HD3 0.09 0.03 0.00 -0.04 3.22 3.30 1dlpB1 VAL 171 H 0.00 0.71 0.53 -0.55 8.24 8.94 1dlpB1 VAL 171 HA 0.04 0.18 0.95 -0.75 4.13 4.56 1dlpB1 VAL 171 HB 0.03 0.02 0.12 -0.04 2.12 2.24 1dlpB1 VAL 171 HG13 0.04 0.05 0.03 -0.04 0.97 1.05 1dlpB1 VAL 171 HG23 0.02 -0.00 -0.08 -0.04 0.95 0.85 1dlpB1 TRP 172 H 0.08 0.09 0.04 -0.55 7.97 7.63 1dlpB1 TRP 172 HA -0.06 0.00 0.43 -0.75 4.62 4.24 1dlpB1 TRP 172 HB2 -0.06 0.25 0.17 -0.04 3.23 3.54 1dlpB1 TRP 172 HB3 -0.08 -0.07 -0.12 -0.04 3.23 2.91 1dlpB1 TRP 172 HD1 -0.04 0.07 0.15 -0.04 7.22 7.35 1dlpB1 TRP 172 HE1 0.07 -0.03 0.04 -0.04 10.20 10.25 1dlpB1 TRP 172 HE3 -0.09 -0.07 -0.63 -0.04 7.59 6.76 1dlpB1 TRP 172 HZ2 0.46 -0.03 -0.05 -0.04 7.44 7.78 1dlpB1 TRP 172 HZ3 -0.18 0.25 -0.14 -0.04 7.13 7.02 1dlpB1 TRP 172 HH2 -0.46 -0.07 -0.14 -0.04 7.19 6.49 1dlpB1 SER 173 H -0.94 0.23 0.13 -0.55 8.46 7.34 1dlpB1 SER 173 HA -0.28 0.42 0.53 -0.75 4.49 4.41 1dlpB1 SER 173 HB2 -0.26 0.01 -0.24 -0.04 3.95 3.42 1dlpB1 SER 173 HB3 -0.34 -0.05 -0.07 -0.04 3.93 3.43 1dlpB1 THR 174 H -0.36 -0.07 0.11 -0.55 8.28 7.41 1dlpB1 THR 174 HA -0.65 0.36 1.14 -0.75 4.39 4.49 1dlpB1 THR 174 HB -0.49 0.04 0.16 -0.04 4.32 3.98 1dlpB1 THR 174 HG23 -0.76 0.05 -0.05 -0.04 1.22 0.42 1dlpB1 ASN 175 H -0.24 0.02 -0.20 -0.55 8.53 7.57 1dlpB1 ASN 175 HA -0.10 -0.02 0.27 -0.75 4.76 4.15 1dlpB1 ASN 175 HB2 -0.04 0.19 -0.18 -0.04 2.88 2.81 1dlpB1 ASN 175 HB3 -0.05 -0.01 0.08 -0.04 2.79 2.76 1dlpB1 ASN 175 HD21 -0.23 0.01 -0.11 -0.04 7.03 6.66 1dlpB1 ASN 175 HD22 -0.11 0.07 -0.17 -0.04 7.74 7.49 1dlpB1 THR 176 H -0.04 0.34 -0.95 -0.55 8.28 7.07 1dlpB1 THR 176 HA 0.02 0.04 0.23 -0.75 4.39 3.92 1dlpB1 THR 176 HB -0.08 -0.28 -0.05 -0.04 4.32 3.87 1dlpB1 THR 176 HG23 0.02 0.03 -0.45 -0.04 1.22 0.77 1dlpB1 ALA 177 H 0.00 0.14 0.09 -0.55 8.40 8.08 1dlpB1 ALA 177 HA -0.00 0.43 0.44 -0.75 4.34 4.45 1dlpB1 ALA 177 HB3 -0.02 0.01 -0.22 -0.04 1.41 1.13 1dlpB1 GLY 180 HA2 0.02 -0.13 0.19 -0.51 4.01 3.57 1dlpB1 GLY 180 HA3 0.02 -0.01 0.11 -0.51 4.01 3.62 1dlpB1 THR 181 H 0.02 -0.08 0.07 -0.55 8.28 7.74 1dlpB1 THR 181 HA 0.02 0.10 0.35 -0.75 4.39 4.11 1dlpB1 THR 181 HB 0.02 -0.10 -0.15 -0.04 4.32 4.04 1dlpB1 THR 181 HG23 0.02 -0.03 -0.01 -0.04 1.22 1.16 1dlpB1 GLY 182 H 0.02 0.02 0.07 -0.55 8.43 7.99 1dlpB1 GLY 182 HA2 0.04 0.50 1.42 -0.51 4.01 5.46 1dlpB1 GLY 182 HA3 0.03 -0.07 0.45 -0.51 4.01 3.91 1dlpB1 CYS 183 H 0.03 0.23 -0.06 -0.55 8.50 8.15 1dlpB1 CYS 183 HA 0.02 0.17 1.00 -0.75 4.58 5.01 1dlpB1 CYS 183 HB2 0.02 0.06 0.00 -0.04 2.97 3.01 1dlpB1 CYS 183 HB3 0.02 0.46 0.18 -0.04 2.97 3.60 1dlpB1 ARG 184 H -0.02 0.19 0.17 -0.55 8.46 8.25 1dlpB1 ARG 184 HA -0.04 0.16 0.91 -0.75 4.34 4.61 1dlpB1 ARG 184 HB2 -0.24 0.16 0.05 -0.04 1.90 1.83 1dlpB1 ARG 184 HB3 -0.35 -0.10 0.05 -0.04 1.80 1.36 1dlpB1 ARG 184 HG2 -0.05 -0.05 0.05 -0.04 1.67 1.58 1dlpB1 ARG 184 HG3 -0.11 -0.01 -0.17 -0.04 1.67 1.34 1dlpB1 ARG 184 HD2 -0.19 0.00 -0.07 -0.04 3.22 2.92 1dlpB1 ARG 184 HD3 -0.03 -0.01 -0.03 -0.04 3.22 3.11 1dlpB1 ALA 185 H -0.01 0.07 0.10 -0.55 8.40 8.02 1dlpB1 ALA 185 HA 0.04 0.51 0.74 -0.75 4.34 4.88 1dlpB1 ALA 185 HB3 0.05 -0.06 -0.00 -0.04 1.41 1.36 1dlpB1 VAL 186 H 0.05 0.52 0.33 -0.55 8.24 8.58 1dlpB1 VAL 186 HA 0.04 0.04 0.52 -0.75 4.13 3.98 1dlpB1 VAL 186 HB 0.00 0.02 0.13 -0.04 2.12 2.23 1dlpB1 VAL 186 HG13 -0.00 0.01 -0.15 -0.04 0.97 0.78 1dlpB1 VAL 186 HG23 0.02 -0.00 -0.28 -0.04 0.95 0.65 1dlpB1 LEU 187 H 0.07 0.30 0.13 -0.55 8.37 8.32 1dlpB1 LEU 187 HA 0.02 0.23 0.85 -0.75 4.35 4.69 1dlpB1 LEU 187 HB2 0.00 -0.18 -0.21 -0.04 1.64 1.20 1dlpB1 LEU 187 HB3 0.15 -0.00 -0.10 -0.04 1.64 1.65 1dlpB1 LEU 187 HG 0.08 0.34 -0.41 -0.04 1.64 1.61 1dlpB1 LEU 187 HD13 0.09 -0.09 -0.33 -0.04 0.93 0.55 1dlpB1 LEU 187 HD23 0.24 0.01 -0.41 -0.04 0.89 0.69 1dlpB1 GLN 188 H -0.05 0.48 0.22 -0.55 8.47 8.57 1dlpB1 GLN 188 HA -0.05 0.22 0.36 -0.75 4.36 4.13 1dlpB1 GLN 188 HB2 -0.08 0.27 0.23 -0.04 2.15 2.53 1dlpB1 GLN 188 HB3 -0.13 -0.45 0.25 -0.04 2.02 1.65 1dlpB1 GLN 188 HG2 -0.10 -0.06 0.03 -0.04 2.40 2.24 1dlpB1 GLN 188 HG3 -0.07 0.06 0.05 -0.04 2.39 2.39 1dlpB1 GLN 188 HE21 -0.03 -0.01 -0.01 -0.04 6.97 6.87 1dlpB1 GLN 188 HE22 -0.03 0.04 -0.06 -0.04 7.69 7.60 1dlpB1 PRO 189 HA -0.21 0.29 0.70 -0.51 4.44 4.71 1dlpB1 PRO 189 HB2 -0.14 -0.08 0.21 -0.04 2.28 2.23 1dlpB1 PRO 189 HB3 -0.10 0.12 -0.00 -0.04 2.02 2.00 1dlpB1 PRO 189 HG2 -0.13 0.04 -0.78 -0.04 2.03 1.12 1dlpB1 PRO 189 HG3 -0.09 0.05 -0.11 -0.04 2.03 1.84 1dlpB1 PRO 189 HD2 -0.16 -0.03 0.07 -0.04 3.68 3.51 1dlpB1 PRO 189 HD3 -0.10 0.19 0.12 -0.04 3.65 3.82 1dlpB1 ASN 190 H -0.36 -0.09 0.12 -0.55 8.53 7.66 1dlpB1 ASN 190 HA -0.32 0.21 0.11 -0.75 4.76 4.01 1dlpB1 ASN 190 HB2 -0.11 0.07 -0.01 -0.04 2.88 2.78 1dlpB1 ASN 190 HB3 -0.13 0.04 0.11 -0.04 2.79 2.77 1dlpB1 ASN 190 HD21 -0.09 -0.01 -0.10 -0.04 7.03 6.79 1dlpB1 ASN 190 HD22 -0.08 0.02 -0.06 -0.04 7.74 7.57 1dlpB1 GLY 191 H -0.22 -0.07 0.08 -0.55 8.43 7.68 1dlpB1 GLY 191 HA2 -0.16 0.09 -0.13 -0.51 4.01 3.31 1dlpB1 GLY 191 HA3 0.05 0.29 0.37 -0.51 4.01 4.21 1dlpB1 ARG 192 H -0.13 0.02 0.26 -0.55 8.46 8.05 1dlpB1 ARG 192 HA -0.25 0.24 1.05 -0.75 4.34 4.63 1dlpB1 ARG 192 HB2 -0.27 0.25 0.06 -0.04 1.90 1.90 1dlpB1 ARG 192 HB3 -0.30 -0.11 0.20 -0.04 1.80 1.56 1dlpB1 ARG 192 HG2 -0.14 0.09 -0.35 -0.04 1.67 1.22 1dlpB1 ARG 192 HG3 -0.14 -0.22 -0.12 -0.04 1.67 1.16 1dlpB1 ARG 192 HD2 -0.23 0.03 0.00 -0.04 3.22 2.98 1dlpB1 ARG 192 HD3 -0.17 0.00 -0.13 -0.04 3.22 2.88 1dlpB1 MET 193 H -0.38 0.05 0.17 -0.55 8.47 7.76 1dlpB1 MET 193 HA -0.03 0.17 0.26 -0.75 4.52 4.17 1dlpB1 MET 193 HB2 0.06 0.10 0.08 -0.04 2.15 2.35 1dlpB1 MET 193 HB3 -0.16 0.01 0.02 -0.04 2.03 1.85 1dlpB1 MET 193 HG2 0.12 -0.15 0.05 -0.04 2.63 2.60 1dlpB1 MET 193 HG3 0.25 0.00 -0.03 -0.04 2.56 2.74 1dlpB1 MET 193 HE3 0.14 0.01 -0.07 -0.04 2.10 2.13 1dlpB1 ASP 194 HA 0.22 -0.06 0.55 -0.75 4.63 4.59 1dlpB1 ASP 194 HB2 0.02 0.30 0.19 -0.04 2.71 3.18 1dlpB1 ASP 194 HB3 0.05 -0.07 0.23 -0.04 2.70 2.86 1dlpB1 VAL 195 H 0.32 0.26 0.16 -0.55 8.24 8.43 1dlpB1 VAL 195 HA 0.10 0.23 -0.26 -0.75 4.13 3.44 1dlpB1 VAL 195 HB 0.26 -0.12 -0.08 -0.04 2.12 2.13 1dlpB1 VAL 195 HG13 0.03 0.02 -0.08 -0.04 0.97 0.90 1dlpB1 VAL 195 HG23 -0.03 -0.01 -0.24 -0.04 0.95 0.63 1dlpB1 LEU 196 H 0.05 0.10 -0.15 -0.55 8.37 7.82 1dlpB1 LEU 196 HA 0.03 -0.06 0.05 -0.75 4.35 3.62 1dlpB1 LEU 196 HB2 0.02 0.29 0.02 -0.04 1.64 1.92 1dlpB1 LEU 196 HB3 0.00 -0.05 -0.16 -0.04 1.64 1.39 1dlpB1 LEU 196 HG 0.01 -0.11 -0.04 -0.04 1.64 1.45 1dlpB1 LEU 196 HD13 0.01 0.01 -0.04 -0.04 0.93 0.87 1dlpB1 LEU 196 HD23 0.00 0.02 -0.05 -0.04 0.89 0.82 1dlpB1 THR 197 H 0.02 0.10 0.04 -0.55 8.28 7.89 1dlpB1 THR 197 HA 0.02 0.26 1.23 -0.75 4.39 5.15 1dlpB1 THR 197 HB 0.03 0.21 -0.42 -0.04 4.32 4.10 1dlpB1 THR 197 HG23 0.02 -0.09 0.19 -0.04 1.22 1.29 1dlpB1 ASN 198 H 0.02 0.60 0.21 -0.55 8.53 8.82 1dlpB1 ASN 198 HA 0.02 0.11 0.56 -0.75 4.76 4.70 1dlpB1 ASN 198 HB2 0.02 -0.08 -0.36 -0.04 2.88 2.43 1dlpB1 ASN 198 HB3 0.02 -0.05 -0.01 -0.04 2.79 2.70 1dlpB1 ASN 198 HD21 0.02 0.09 0.02 -0.04 7.03 7.12 1dlpB1 ASN 198 HD22 0.02 -0.13 0.04 -0.04 7.74 7.63 1dlpB1 GLN 199 H 0.01 0.09 0.37 -0.55 8.47 8.40 1dlpB1 GLN 199 HA 0.01 0.12 0.79 -0.75 4.36 4.53 1dlpB1 GLN 199 HB2 0.01 -0.04 -0.02 -0.04 2.15 2.06 1dlpB1 GLN 199 HB3 0.01 -0.00 0.15 -0.04 2.02 2.13 1dlpB1 GLN 199 HG2 0.01 0.02 0.05 -0.04 2.40 2.45 1dlpB1 GLN 199 HG3 0.01 -0.04 0.09 -0.04 2.39 2.41 1dlpB1 GLN 199 HE21 0.01 -0.01 0.01 -0.04 6.97 6.93 1dlpB1 GLN 199 HE22 0.01 -0.01 0.01 -0.04 7.69 7.66 1dlpB1 ASN 200 H 0.01 0.99 0.23 -0.55 8.53 9.22 1dlpB1 ASN 200 HA 0.01 -0.14 0.32 -0.75 4.76 4.19 1dlpB1 ASN 200 HB2 0.00 0.38 0.60 -0.04 2.88 3.83 1dlpB1 ASN 200 HB3 0.00 -0.02 0.41 -0.04 2.79 3.14 1dlpB1 ASN 200 HD21 0.01 -0.02 -0.10 -0.04 7.03 6.87 1dlpB1 ASN 200 HD22 0.00 -0.02 -0.02 -0.04 7.74 7.67 1dlpB1 ILE 201 H 0.01 0.00 0.12 -0.55 8.25 7.83 1dlpB1 ILE 201 HA 0.00 0.05 0.29 -0.75 4.18 3.76 1dlpB1 ILE 201 HB 0.02 0.05 0.21 -0.04 1.89 2.12 1dlpB1 ILE 201 HG12 0.01 0.04 0.03 -0.04 1.49 1.53 1dlpB1 ILE 201 HG13 0.01 0.00 0.13 -0.04 1.21 1.31 1dlpB1 ILE 201 HG23 0.01 0.04 0.11 -0.04 0.93 1.05 1dlpB1 ILE 201 HD13 0.01 0.01 0.05 -0.04 0.88 0.92 1dlpB1 ALA 202 H 0.02 1.09 0.42 -0.55 8.40 9.38 1dlpB1 ALA 202 HA 0.02 -0.03 0.36 -0.75 4.34 3.94 1dlpB1 ALA 202 HB3 -0.02 0.06 0.08 -0.04 1.41 1.49 1dlpB1 VAL 203 H 0.09 -1.07 0.43 -0.55 8.24 7.15 1dlpB1 VAL 203 HA 0.07 -0.02 0.29 -0.75 4.13 3.72 1dlpB1 VAL 203 HB 0.05 0.25 0.65 -0.04 2.12 3.03 1dlpB1 VAL 203 HG13 0.09 -0.04 -0.36 -0.04 0.97 0.62 1dlpB1 VAL 203 HG23 0.05 -0.02 -0.02 -0.04 0.95 0.91 1dlpB1 TRP 204 H 0.12 0.03 0.30 -0.55 7.97 7.86 1dlpB1 TRP 204 HA -0.02 0.08 0.37 -0.75 4.62 4.29 1dlpB1 TRP 204 HB2 -0.01 0.40 0.07 -0.04 3.23 3.65 1dlpB1 TRP 204 HB3 -0.01 -0.08 -0.10 -0.04 3.23 3.00 1dlpB1 TRP 204 HD1 -0.01 0.10 0.15 -0.04 7.22 7.42 1dlpB1 TRP 204 HE1 0.12 0.03 0.02 -0.04 10.20 10.32 1dlpB1 TRP 204 HE3 -0.05 -0.15 -0.32 -0.04 7.59 7.04 1dlpB1 TRP 204 HZ2 0.26 0.06 -0.10 -0.04 7.44 7.62 1dlpB1 TRP 204 HZ3 -0.21 -0.03 -0.39 -0.04 7.13 6.46 1dlpB1 TRP 204 HH2 -0.74 -0.04 -0.06 -0.04 7.19 6.32 1dlpB1 THR 205 H -1.07 0.29 0.12 -0.55 8.28 7.06 1dlpB1 THR 205 HA -0.84 0.12 -0.39 -0.75 4.39 2.52 1dlpB1 THR 205 HB -0.29 0.16 0.43 -0.04 4.32 4.58 1dlpB1 THR 205 HG23 -0.25 -0.01 -0.00 -0.04 1.22 0.92 1dlpB1 SER 206 H -0.98 0.41 -0.10 -0.55 8.46 7.25 1dlpB1 SER 206 HA -1.16 0.02 0.43 -0.75 4.49 3.03 1dlpB1 SER 206 HB2 -1.28 -0.02 0.22 -0.04 3.95 2.83 1dlpB1 SER 206 HB3 -0.55 0.24 0.30 -0.04 3.93 3.88 1dlpB1 GLY 207 H -0.42 0.06 -0.18 -0.55 8.43 7.34 1dlpB1 GLY 207 HA2 -0.24 -0.03 0.39 -0.51 4.01 3.62 1dlpB1 GLY 207 HA3 -0.15 0.24 0.82 -0.51 4.01 4.40 1dlpB1 ASN 208 H -0.20 0.20 0.06 -0.55 8.53 8.04 1dlpB1 ASN 208 HA -0.09 -0.02 0.15 -0.75 4.76 4.05 1dlpB1 ASN 208 HB2 -0.01 -0.28 0.13 -0.04 2.88 2.68 1dlpB1 ASN 208 HB3 -0.02 0.15 0.08 -0.04 2.79 2.95 1dlpB1 ASN 208 HD21 0.08 0.01 -0.09 -0.04 7.03 6.99 1dlpB1 ASN 208 HD22 0.04 0.11 -0.19 -0.04 7.74 7.66 1dlpB1 SER 209 H -0.02 0.07 0.11 -0.55 8.46 8.08 1dlpB1 SER 209 HA 0.02 0.46 0.71 -0.75 4.49 4.93 1dlpB1 SER 209 HB2 -0.02 0.05 -0.83 -0.04 3.95 3.11 1dlpB1 SER 209 HB3 -0.05 -0.01 -0.48 -0.04 3.93 3.35 1dlpB1 ARG 210 H -0.01 0.30 0.23 -0.55 8.46 8.43 1dlpB1 ARG 210 HA 0.04 0.08 0.30 -0.75 4.34 4.00 1dlpB1 ARG 210 HB2 0.07 0.11 -0.60 -0.04 1.90 1.44 1dlpB1 ARG 210 HB3 0.18 0.14 -0.05 -0.04 1.80 2.03 1dlpB1 ARG 210 HG2 0.09 0.16 0.07 -0.04 1.67 1.95 1dlpB1 ARG 210 HG3 0.06 -0.05 -0.02 -0.04 1.67 1.62 1dlpB1 ARG 210 HD2 0.04 -0.04 -0.01 -0.04 3.22 3.17 1dlpB1 ARG 210 HD3 0.03 -0.01 -0.05 -0.04 3.22 3.16 1dlpB1 SER 211 H 0.10 0.01 0.13 -0.55 8.46 8.15 1dlpB1 SER 211 HA 0.03 0.04 0.65 -0.75 4.49 4.45 1dlpB1 SER 211 HB2 0.08 0.19 -0.14 -0.04 3.95 4.04 1dlpB1 SER 211 HB3 0.04 -0.05 0.15 -0.04 3.93 4.02 1dlpB1 ALA 212 H 0.01 0.01 0.16 -0.55 8.40 8.02 1dlpB1 ALA 212 HA -0.08 0.18 0.46 -0.75 4.34 4.14 1dlpB1 ALA 212 HB3 -0.04 -0.00 0.14 -0.04 1.41 1.48 1dlpB1 GLY 213 H -0.12 0.46 0.00 -0.55 8.43 8.23 1dlpB1 GLY 213 HA2 -0.04 -0.07 0.23 -0.51 4.01 3.61 1dlpB1 GLY 213 HA3 0.06 0.22 0.50 -0.51 4.01 4.27 1dlpB1 ARG 214 H -0.08 0.06 0.04 -0.55 8.46 7.93 1dlpB1 ARG 214 HA -0.49 -0.09 0.51 -0.75 4.34 3.51 1dlpB1 ARG 214 HB2 -0.01 -0.01 0.14 -0.04 1.90 1.99 1dlpB1 ARG 214 HB3 -0.08 -0.02 0.11 -0.04 1.80 1.77 1dlpB1 ARG 214 HG2 -0.74 0.02 0.09 -0.04 1.67 1.01 1dlpB1 ARG 214 HG3 -0.21 -0.03 0.11 -0.04 1.67 1.49 1dlpB1 ARG 214 HD2 -0.21 0.04 0.05 -0.04 3.22 3.06 1dlpB1 ARG 214 HD3 -0.11 0.03 0.04 -0.04 3.22 3.14 1dlpB1 TYR 215 H 0.34 0.19 0.28 -0.55 8.29 8.55 1dlpB1 TYR 215 HA -0.19 0.06 0.88 -0.75 4.56 4.55 1dlpB1 TYR 215 HB2 0.05 -0.01 -0.11 -0.04 3.06 2.94 1dlpB1 TYR 215 HB3 0.04 0.10 -0.23 -0.04 2.98 2.84 1dlpB1 TYR 215 HD2 -0.04 0.18 -0.43 -0.04 7.15 6.83 1dlpB1 TYR 215 HE2 -0.01 0.10 -0.19 -0.04 6.85 6.70 1dlpB1 VAL 216 H 0.09 0.72 0.23 -0.55 8.24 8.72 1dlpB1 VAL 216 HA 0.08 0.20 0.79 -0.75 4.13 4.45 1dlpB1 VAL 216 HB -0.28 -0.09 -0.51 -0.04 2.12 1.20 1dlpB1 VAL 216 HG13 0.33 -0.05 -0.11 -0.04 0.97 1.09 1dlpB1 VAL 216 HG23 0.09 -0.10 0.03 -0.04 0.95 0.93 1dlpB1 PHE 217 H 0.16 -0.01 -0.09 -0.55 8.34 7.84 1dlpB1 PHE 217 HA 0.16 0.17 0.98 -0.75 4.62 5.17 1dlpB1 PHE 217 HB2 0.12 0.12 -0.52 -0.04 3.15 2.82 1dlpB1 PHE 217 HB3 0.07 0.25 -0.08 -0.04 3.06 3.26 1dlpB1 PHE 217 HD2 0.10 0.18 0.09 -0.04 7.28 7.62 1dlpB1 PHE 217 HE2 0.06 -0.04 -0.03 -0.04 7.38 7.32 1dlpB1 PHE 217 HZ 0.05 -0.04 -0.06 -0.04 7.32 7.23 1dlpB1 VAL 218 H 0.30 -0.02 0.07 -0.55 8.24 8.05 1dlpB1 VAL 218 HA -0.12 0.29 0.73 -0.75 4.13 4.28 1dlpB1 VAL 218 HB 0.07 0.00 0.02 -0.04 2.12 2.18 1dlpB1 VAL 218 HG13 0.06 -0.04 -0.04 -0.04 0.97 0.91 1dlpB1 VAL 218 HG23 0.30 0.04 -0.30 -0.04 0.95 0.95 1dlpB1 LEU 219 H -0.01 0.17 0.20 -0.55 8.37 8.18 1dlpB1 LEU 219 HA 0.02 0.18 0.60 -0.75 4.35 4.40 1dlpB1 LEU 219 HB2 -0.01 0.08 0.06 -0.04 1.64 1.72 1dlpB1 LEU 219 HB3 0.06 -0.07 0.05 -0.04 1.64 1.63 1dlpB1 LEU 219 HG 0.24 -0.04 -0.23 -0.04 1.64 1.57 1dlpB1 LEU 219 HD13 -0.01 0.01 -0.07 -0.04 0.93 0.82 1dlpB1 LEU 219 HD23 0.11 -0.01 -0.32 -0.04 0.89 0.63 1dlpB1 GLN 220 H 0.07 0.24 0.13 -0.55 8.47 8.36 1dlpB1 GLN 220 HA 0.15 0.27 1.10 -0.75 4.36 5.13 1dlpB1 GLN 220 HB2 -0.10 -0.15 -0.15 -0.04 2.15 1.71 1dlpB1 GLN 220 HB3 0.05 0.04 -0.05 -0.04 2.02 2.02 1dlpB1 GLN 220 HG2 0.13 0.11 -0.66 -0.04 2.40 1.95 1dlpB1 GLN 220 HG3 0.02 -0.04 -0.30 -0.04 2.39 2.03 1dlpB1 GLN 220 HE21 0.16 -0.03 -0.17 -0.04 6.97 6.88 1dlpB1 GLN 220 HE22 0.01 -0.00 -0.23 -0.04 7.69 7.42 1dlpB1 PRO 221 HA 0.08 0.04 0.45 -0.51 4.44 4.50 1dlpB1 PRO 221 HB2 -0.11 -0.05 0.10 -0.04 2.28 2.17 1dlpB1 PRO 221 HB3 0.01 0.03 0.14 -0.04 2.02 2.17 1dlpB1 PRO 221 HG2 0.01 0.12 0.07 -0.04 2.03 2.19 1dlpB1 PRO 221 HG3 0.06 0.08 -0.24 -0.04 2.03 1.89 1dlpB1 PRO 221 HD2 -0.43 0.07 0.07 -0.04 3.68 3.35 1dlpB1 PRO 221 HD3 0.08 0.20 0.21 -0.04 3.65 4.10 1dlpB1 ASP 222 H -0.01 -0.12 -0.77 -0.55 8.40 6.95 1dlpB1 ASP 222 HA 0.02 0.12 0.30 -0.75 4.63 4.32 1dlpB1 ASP 222 HB2 -0.04 -0.05 -0.60 -0.04 2.71 1.98 1dlpB1 ASP 222 HB3 -0.03 0.00 0.03 -0.04 2.70 2.66 1dlpB1 ARG 223 HA -0.55 0.04 0.24 -0.75 4.34 3.30 1dlpB1 ARG 223 HB2 -0.14 0.07 -0.14 -0.04 1.90 1.64 1dlpB1 ARG 223 HB3 -0.15 0.02 -0.02 -0.04 1.80 1.61 1dlpB1 ARG 223 HG2 -0.24 -0.04 -0.02 -0.04 1.67 1.33 1dlpB1 ARG 223 HG3 -0.59 -0.06 -0.04 -0.04 1.67 0.93 1dlpB1 ARG 223 HD2 -0.04 0.07 -0.11 -0.04 3.22 3.10 1dlpB1 ARG 223 HD3 -0.06 0.00 -0.05 -0.04 3.22 3.08 1dlpB1 ASN 224 H -0.09 0.11 -0.00 -0.55 8.53 8.00 1dlpB1 ASN 224 HA -0.23 -0.01 0.53 -0.75 4.76 4.30 1dlpB1 ASN 224 HB2 -0.16 -0.19 -0.20 -0.04 2.88 2.29 1dlpB1 ASN 224 HB3 -0.12 0.15 -1.07 -0.04 2.79 1.71 1dlpB1 ASN 224 HD21 -0.06 -0.04 -0.13 -0.04 7.03 6.76 1dlpB1 ASN 224 HD22 -0.15 -0.15 -0.07 -0.04 7.74 7.34 1dlpB1 LEU 225 H -0.30 -0.15 0.18 -0.55 8.37 7.55 1dlpB1 LEU 225 HA 0.11 0.38 1.27 -0.75 4.35 5.36 1dlpB1 LEU 225 HB2 0.15 -0.11 0.08 -0.04 1.64 1.72 1dlpB1 LEU 225 HB3 1.10 0.13 0.14 -0.04 1.64 2.97 1dlpB1 LEU 225 HG -0.21 -0.16 -0.11 -0.04 1.64 1.11 1dlpB1 LEU 225 HD13 0.33 0.03 -0.04 -0.04 0.93 1.21 1dlpB1 LEU 225 HD23 -0.02 0.09 -0.19 -0.04 0.89 0.73 1dlpB1 ALA 226 H 0.55 0.52 -0.10 -0.55 8.40 8.82 1dlpB1 ALA 226 HA -0.10 0.24 0.33 -0.75 4.34 4.06 1dlpB1 ALA 226 HB3 -0.09 -0.04 0.21 -0.04 1.41 1.44 1dlpB1 ILE 227 H -0.11 0.18 0.18 -0.55 8.25 7.94 1dlpB1 ILE 227 HA 0.25 0.25 0.79 -0.75 4.18 4.72 1dlpB1 ILE 227 HB 0.08 0.25 0.29 -0.04 1.89 2.47 1dlpB1 ILE 227 HG12 0.10 -0.06 0.06 -0.04 1.49 1.55 1dlpB1 ILE 227 HG13 0.15 0.10 -0.06 -0.04 1.21 1.36 1dlpB1 ILE 227 HG23 0.17 -0.04 -0.14 -0.04 0.93 0.88 1dlpB1 ILE 227 HD13 -0.04 0.05 -0.09 -0.04 0.88 0.76 1dlpB1 TYR 228 H 0.52 -0.02 -0.12 -0.55 8.29 8.13 1dlpB1 TYR 228 HA -0.05 0.33 0.23 -0.75 4.56 4.32 1dlpB1 TYR 228 HB2 0.16 -0.18 -0.08 -0.04 3.06 2.91 1dlpB1 TYR 228 HB3 0.00 0.09 -0.04 -0.04 2.98 3.00 1dlpB1 TYR 228 HD2 0.02 0.17 -0.22 -0.04 7.15 7.07 1dlpB1 TYR 228 HE2 0.10 -0.02 -0.30 -0.04 6.85 6.59 1dlpB1 GLY 229 H -0.04 -0.34 0.26 -0.55 8.43 7.77 1dlpB1 GLY 229 HA2 -1.43 0.05 0.38 -0.51 4.01 2.50 1dlpB1 GLY 229 HA3 -1.37 0.14 -0.28 -0.51 4.01 1.99 1dlpB1 GLY 230 H -0.28 0.18 0.31 -0.55 8.43 8.09 1dlpB1 GLY 230 HA2 0.10 0.47 -1.35 -0.51 4.01 2.72 1dlpB1 GLY 230 HA3 0.27 -0.58 0.13 -0.51 4.01 3.32 1dlpB1 ALA 231 H 0.35 -0.09 0.15 -0.55 8.40 8.26 1dlpB1 ALA 231 HA 0.42 -0.02 0.25 -0.75 4.34 4.24 1dlpB1 ALA 231 HB3 0.15 0.06 -0.14 -0.04 1.41 1.44 1dlpB1 LEU 232 H 0.20 0.19 0.29 -0.55 8.37 8.50 1dlpB1 LEU 232 HA 0.14 0.11 0.69 -0.75 4.35 4.54 1dlpB1 LEU 232 HB2 0.15 0.13 -0.05 -0.04 1.64 1.83 1dlpB1 LEU 232 HB3 0.21 -0.06 -0.36 -0.04 1.64 1.38 1dlpB1 LEU 232 HG 0.07 0.09 -0.25 -0.04 1.64 1.51 1dlpB1 LEU 232 HD13 0.05 -0.01 -0.34 -0.04 0.93 0.59 1dlpB1 LEU 232 HD23 0.10 -0.01 -0.33 -0.04 0.89 0.61 1dlpB1 TRP 233 H 0.24 0.17 0.38 -0.55 7.97 8.22 1dlpB1 TRP 233 HA -0.00 0.03 0.23 -0.75 4.62 4.12 1dlpB1 TRP 233 HB2 -0.02 0.09 0.48 -0.04 3.23 3.75 1dlpB1 TRP 233 HB3 -0.02 0.02 -0.02 -0.04 3.23 3.17 1dlpB1 TRP 233 HD1 -0.04 -0.02 0.23 -0.04 7.22 7.35 1dlpB1 TRP 233 HE1 0.03 -0.08 0.05 -0.04 10.20 10.15 1dlpB1 TRP 233 HE3 -0.02 -0.14 -0.42 -0.04 7.59 6.98 1dlpB1 TRP 233 HZ2 0.67 -0.02 -0.09 -0.04 7.44 7.95 1dlpB1 TRP 233 HZ3 -0.02 -0.08 -0.29 -0.04 7.13 6.70 1dlpB1 TRP 233 HH2 0.25 -0.05 -0.14 -0.04 7.19 7.21 1dlpB1 THR 234 H -0.97 0.43 0.28 -0.55 8.28 7.47 1dlpB1 THR 234 HA -0.58 0.61 0.59 -0.75 4.39 4.26 1dlpB1 THR 234 HB -0.30 0.06 0.14 -0.04 4.32 4.18 1dlpB1 THR 234 HG23 -0.11 0.03 -0.25 -0.04 1.22 0.84 1dlpB1 THR 235 H -0.60 0.17 0.12 -0.55 8.28 7.42 1dlpB1 THR 235 HA -0.39 0.15 0.34 -0.75 4.39 3.73 1dlpB1 THR 235 HB -0.68 0.07 0.11 -0.04 4.32 3.78 1dlpB1 THR 235 HG23 -0.94 0.04 -0.11 -0.04 1.22 0.17