============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. TYR 25 0.840 -3.921 11.015 -1.637 -99.200 -91.000 TRP 34 1.040 5.726 11.513 9.550 -99.200 -91.000 TRP6 34 1.020 5.844 9.782 7.968 -99.200 -91.000 TYR 50 0.840 2.030 0.311 -7.790 -99.200 -91.000 TYR 53 0.840 11.880 8.932 -2.257 -99.200 -91.000 PHE 62 1.000 14.296 10.282 4.928 -99.200 -91.000 TYR 71 0.840 18.347 10.938 3.467 -99.200 -91.000 PHE 72 1.000 14.768 9.322 10.557 -99.200 -91.000 PHE 85 1.000 11.617 1.107 7.315 -99.200 -91.000 PHE 87 1.000 7.474 -2.386 7.384 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ub1A9 ALA 72 H -0.00 0.08 -0.08 -0.55 8.40 7.85 1ub1A9 ALA 72 HA -0.00 -0.05 0.22 -0.75 4.34 3.76 1ub1A9 ALA 72 HB3 -0.00 -0.03 0.10 -0.04 1.41 1.44 1ub1A9 PRO 73 HA -0.00 0.13 0.49 -0.51 4.44 4.55 1ub1A9 PRO 73 HB2 -0.00 -0.03 0.08 -0.04 2.28 2.28 1ub1A9 PRO 73 HB3 -0.00 0.03 0.10 -0.04 2.02 2.11 1ub1A9 PRO 73 HG2 -0.00 0.03 0.00 -0.04 2.03 2.03 1ub1A9 PRO 73 HG3 -0.00 0.04 0.05 -0.04 2.03 2.07 1ub1A9 PRO 73 HD2 -0.00 0.10 0.12 -0.04 3.68 3.86 1ub1A9 PRO 73 HD3 -0.00 0.13 0.15 -0.04 3.65 3.88 1ub1A9 ALA 74 H -0.00 0.15 0.02 -0.55 8.40 8.03 1ub1A9 ALA 74 HA -0.00 0.02 0.40 -0.75 4.34 4.00 1ub1A9 ALA 74 HB3 -0.00 0.02 -0.08 -0.04 1.41 1.31 1ub1A9 VAL 75 H -0.00 0.19 0.09 -0.55 8.24 7.97 1ub1A9 VAL 75 HA -0.00 0.23 1.03 -0.75 4.13 4.63 1ub1A9 VAL 75 HB -0.00 -0.05 0.17 -0.04 2.12 2.19 1ub1A9 VAL 75 HG13 -0.00 0.02 -0.03 -0.04 0.97 0.92 1ub1A9 VAL 75 HG23 -0.00 -0.00 -0.04 -0.04 0.95 0.86 1ub1A9 PRO 76 HA -0.00 0.11 0.49 -0.51 4.44 4.54 1ub1A9 PRO 76 HB2 -0.00 -0.00 0.06 -0.04 2.28 2.30 1ub1A9 PRO 76 HB3 -0.00 0.03 0.08 -0.04 2.02 2.09 1ub1A9 PRO 76 HG2 -0.00 0.01 0.01 -0.04 2.03 2.02 1ub1A9 PRO 76 HG3 -0.00 0.05 0.04 -0.04 2.03 2.07 1ub1A9 PRO 76 HD2 -0.00 0.07 0.21 -0.04 3.68 3.92 1ub1A9 PRO 76 HD3 -0.00 0.33 0.17 -0.04 3.65 4.11 1ub1A9 GLU 77 H -0.00 0.25 0.18 -0.55 8.60 8.48 1ub1A9 GLU 77 HA -0.00 0.07 0.48 -0.75 4.29 4.09 1ub1A9 GLU 77 HB2 -0.00 0.14 -0.36 -0.04 2.09 1.84 1ub1A9 GLU 77 HB3 -0.00 -0.03 -0.07 -0.04 1.99 1.85 1ub1A9 GLU 77 HG2 -0.00 -0.03 0.05 -0.04 2.34 2.31 1ub1A9 GLU 77 HG3 -0.00 0.05 0.13 -0.04 2.34 2.48 1ub1A9 ALA 78 H -0.00 0.34 0.21 -0.55 8.40 8.40 1ub1A9 ALA 78 HA -0.00 0.12 0.58 -0.75 4.34 4.29 1ub1A9 ALA 78 HB3 -0.00 -0.00 -0.11 -0.04 1.41 1.26 1ub1A9 SER 79 H -0.00 0.25 0.12 -0.55 8.46 8.28 1ub1A9 SER 79 HA -0.00 0.05 0.52 -0.75 4.49 4.31 1ub1A9 SER 79 HB2 -0.00 -0.05 -0.36 -0.04 3.95 3.49 1ub1A9 SER 79 HB3 -0.00 0.01 -0.06 -0.04 3.93 3.84 1ub1A9 ALA 80 H -0.00 0.23 0.20 -0.55 8.40 8.28 1ub1A9 ALA 80 HA -0.00 0.22 0.88 -0.75 4.34 4.68 1ub1A9 ALA 80 HB3 -0.00 -0.01 -0.01 -0.04 1.41 1.36 1ub1A9 SER 81 H -0.00 0.12 -0.01 -0.55 8.46 8.03 1ub1A9 SER 81 HA -0.00 0.07 0.47 -0.75 4.49 4.28 1ub1A9 SER 81 HB2 -0.00 0.16 -0.13 -0.04 3.95 3.94 1ub1A9 SER 81 HB3 -0.00 -0.05 0.07 -0.04 3.93 3.91 1ub1A9 PRO 82 HA -0.00 0.11 0.54 -0.51 4.44 4.58 1ub1A9 PRO 82 HB2 -0.00 0.09 0.17 -0.04 2.28 2.50 1ub1A9 PRO 82 HB3 -0.00 0.02 0.14 -0.04 2.02 2.14 1ub1A9 PRO 82 HG2 -0.00 0.06 0.01 -0.04 2.03 2.06 1ub1A9 PRO 82 HG3 -0.00 0.03 0.06 -0.04 2.03 2.07 1ub1A9 PRO 82 HD2 -0.00 0.14 0.12 -0.04 3.68 3.90 1ub1A9 PRO 82 HD3 -0.00 0.05 0.08 -0.04 3.65 3.74 1ub1A9 LYS 83 H -0.00 0.25 0.22 -0.55 8.42 8.33 1ub1A9 LYS 83 HA -0.00 0.16 0.61 -0.75 4.32 4.33 1ub1A9 LYS 83 HB2 -0.00 -0.14 0.16 -0.04 1.87 1.85 1ub1A9 LYS 83 HB3 -0.00 0.17 -0.19 -0.04 1.79 1.73 1ub1A9 LYS 83 HG2 -0.00 0.00 -0.09 -0.04 1.46 1.33 1ub1A9 LYS 83 HG3 -0.00 0.04 -0.33 -0.04 1.46 1.13 1ub1A9 LYS 83 HD2 -0.00 -0.01 -0.14 -0.04 1.69 1.50 1ub1A9 LYS 83 HD3 -0.00 0.02 -0.03 -0.04 1.68 1.62 1ub1A9 LYS 83 HE2 -0.00 0.02 -0.04 -0.04 2.99 2.93 1ub1A9 LYS 83 HE3 -0.00 -0.00 -0.06 -0.04 2.99 2.89 1ub1A9 GLN 84 H -0.00 -0.01 0.20 -0.55 8.47 8.12 1ub1A9 GLN 84 HA -0.00 0.28 1.01 -0.75 4.36 4.90 1ub1A9 GLN 84 HB2 -0.00 -0.05 0.15 -0.04 2.15 2.21 1ub1A9 GLN 84 HB3 -0.00 0.03 0.07 -0.04 2.02 2.07 1ub1A9 GLN 84 HG2 -0.00 0.16 -0.22 -0.04 2.40 2.30 1ub1A9 GLN 84 HG3 -0.00 -0.02 -0.20 -0.04 2.39 2.12 1ub1A9 GLN 84 HE21 -0.00 0.01 -0.05 -0.04 6.97 6.88 1ub1A9 GLN 84 HE22 -0.00 0.01 -0.02 -0.04 7.69 7.64 1ub1A9 ARG 85 H -0.00 0.04 0.21 -0.55 8.46 8.15 1ub1A9 ARG 85 HA -0.00 0.05 0.33 -0.75 4.34 3.96 1ub1A9 ARG 85 HB2 -0.00 -0.03 -0.47 -0.04 1.90 1.36 1ub1A9 ARG 85 HB3 -0.00 0.08 0.22 -0.04 1.80 2.05 1ub1A9 ARG 85 HG2 -0.00 0.02 0.11 -0.04 1.67 1.75 1ub1A9 ARG 85 HG3 -0.00 -0.03 0.03 -0.04 1.67 1.62 1ub1A9 ARG 85 HD2 -0.00 -0.01 -0.01 -0.04 3.22 3.16 1ub1A9 ARG 85 HD3 -0.00 0.02 -0.02 -0.04 3.22 3.18 1ub1A9 ARG 86 H -0.00 -0.08 -0.29 -0.55 8.46 7.53 1ub1A9 ARG 86 HA -0.00 0.15 0.55 -0.75 4.34 4.28 1ub1A9 ARG 86 HB2 -0.00 0.04 -0.01 -0.04 1.90 1.89 1ub1A9 ARG 86 HB3 -0.00 -0.02 0.04 -0.04 1.80 1.78 1ub1A9 ARG 86 HG2 -0.00 -0.02 -0.08 -0.04 1.67 1.53 1ub1A9 ARG 86 HG3 -0.00 -0.09 0.04 -0.04 1.67 1.58 1ub1A9 ARG 86 HD2 -0.00 0.01 0.00 -0.04 3.22 3.18 1ub1A9 ARG 86 HD3 -0.00 0.04 -0.01 -0.04 3.22 3.20 1ub1A9 SER 87 H -0.00 0.13 0.02 -0.55 8.46 8.06 1ub1A9 SER 87 HA -0.00 0.01 0.44 -0.75 4.49 4.19 1ub1A9 SER 87 HB2 -0.00 0.10 -0.28 -0.04 3.95 3.73 1ub1A9 SER 87 HB3 -0.00 -0.00 0.09 -0.04 3.93 3.98 1ub1A9 ILE 88 H -0.00 0.04 0.08 -0.55 8.25 7.82 1ub1A9 ILE 88 HA -0.00 0.07 0.38 -0.75 4.18 3.87 1ub1A9 ILE 88 HB -0.00 -0.01 0.21 -0.04 1.89 2.05 1ub1A9 ILE 88 HG12 -0.00 0.15 -0.07 -0.04 1.49 1.53 1ub1A9 ILE 88 HG13 -0.00 0.01 0.04 -0.04 1.21 1.22 1ub1A9 ILE 88 HG23 -0.00 -0.02 0.08 -0.04 0.93 0.94 1ub1A9 ILE 88 HD13 -0.00 -0.02 -0.07 -0.04 0.88 0.75 1ub1A9 ILE 89 H -0.00 0.18 0.17 -0.55 8.25 8.05 1ub1A9 ILE 89 HA -0.00 0.11 0.44 -0.75 4.18 3.97 1ub1A9 ILE 89 HB -0.00 0.20 -0.26 -0.04 1.89 1.78 1ub1A9 ILE 89 HG12 -0.00 0.04 0.18 -0.04 1.49 1.67 1ub1A9 ILE 89 HG13 -0.00 0.01 0.18 -0.04 1.21 1.37 1ub1A9 ILE 89 HG23 -0.00 -0.01 -0.04 -0.04 0.93 0.83 1ub1A9 ILE 89 HD13 -0.00 0.03 0.07 -0.04 0.88 0.93 1ub1A9 ARG 90 H -0.00 0.34 0.24 -0.55 8.46 8.49 1ub1A9 ARG 90 HA -0.00 0.04 0.37 -0.75 4.34 3.99 1ub1A9 ARG 90 HB2 -0.00 0.08 -0.40 -0.04 1.90 1.54 1ub1A9 ARG 90 HB3 -0.00 0.02 -0.09 -0.04 1.80 1.69 1ub1A9 ARG 90 HG2 0.00 0.05 0.12 -0.04 1.67 1.80 1ub1A9 ARG 90 HG3 0.00 -0.07 0.23 -0.04 1.67 1.79 1ub1A9 ARG 90 HD2 -0.00 0.00 0.17 -0.04 3.22 3.34 1ub1A9 ARG 90 HD3 -0.00 0.01 0.08 -0.04 3.22 3.27 1ub1A9 ASP 91 H 0.00 0.26 0.23 -0.55 8.40 8.34 1ub1A9 ASP 91 HA -0.00 0.19 0.83 -0.75 4.63 4.90 1ub1A9 ASP 91 HB2 0.00 0.04 0.16 -0.04 2.71 2.87 1ub1A9 ASP 91 HB3 0.00 0.03 -0.09 -0.04 2.70 2.61 1ub1A9 ARG 92 H -0.00 0.27 0.22 -0.55 8.46 8.40 1ub1A9 ARG 92 HA 0.02 0.19 0.78 -0.75 4.34 4.58 1ub1A9 ARG 92 HB2 -0.01 -0.02 -0.18 -0.04 1.90 1.65 1ub1A9 ARG 92 HB3 -0.02 0.03 -0.06 -0.04 1.80 1.70 1ub1A9 ARG 92 HG2 -0.02 0.01 -0.01 -0.04 1.67 1.60 1ub1A9 ARG 92 HG3 -0.01 -0.15 0.08 -0.04 1.67 1.55 1ub1A9 ARG 92 HD2 0.00 0.06 -0.09 -0.04 3.22 3.16 1ub1A9 ARG 92 HD3 0.00 -0.02 -0.00 -0.04 3.22 3.16 1ub1A9 GLY 93 H -0.01 0.14 -0.02 -0.55 8.43 8.00 1ub1A9 GLY 93 HA2 -0.04 0.15 0.53 -0.51 4.01 4.14 1ub1A9 GLY 93 HA3 0.01 0.05 0.31 -0.51 4.01 3.87 1ub1A9 PRO 94 HA -0.44 0.03 0.64 -0.51 4.44 4.16 1ub1A9 PRO 94 HB2 -0.14 0.04 0.08 -0.04 2.28 2.22 1ub1A9 PRO 94 HB3 -0.16 0.03 0.12 -0.04 2.02 1.96 1ub1A9 PRO 94 HG2 -0.08 0.06 0.13 -0.04 2.03 2.09 1ub1A9 PRO 94 HG3 -0.08 0.04 0.07 -0.04 2.03 2.02 1ub1A9 PRO 94 HD2 -0.07 0.15 0.15 -0.04 3.68 3.87 1ub1A9 PRO 94 HD3 -0.07 0.07 0.04 -0.04 3.65 3.65 1ub1A9 MET 95 H -0.79 0.10 0.29 -0.55 8.47 7.52 1ub1A9 MET 95 HA -0.13 0.05 0.39 -0.75 4.52 4.08 1ub1A9 MET 95 HB2 -0.08 0.11 -0.47 -0.04 2.15 1.67 1ub1A9 MET 95 HB3 0.05 0.00 0.03 -0.04 2.03 2.07 1ub1A9 MET 95 HG2 -0.07 -0.05 0.15 -0.04 2.63 2.62 1ub1A9 MET 95 HG3 -0.08 0.04 0.10 -0.04 2.56 2.57 1ub1A9 MET 95 HE3 -0.07 0.00 -0.01 -0.04 2.10 1.98 1ub1A9 TYR 96 H -0.40 0.22 0.31 -0.55 8.29 7.87 1ub1A9 TYR 96 HA -0.05 0.07 0.45 -0.75 4.56 4.28 1ub1A9 TYR 96 HB2 -0.06 0.01 0.23 -0.04 3.06 3.20 1ub1A9 TYR 96 HB3 -0.05 0.28 0.20 -0.04 2.98 3.37 1ub1A9 TYR 96 HD2 -0.05 0.08 -0.36 -0.04 7.15 6.78 1ub1A9 TYR 96 HE2 -0.04 0.02 -0.03 -0.04 6.85 6.76 1ub1A9 ASP 97 H 0.11 0.40 0.32 -0.55 8.40 8.68 1ub1A9 ASP 97 HA 0.08 0.13 0.55 -0.75 4.63 4.63 1ub1A9 ASP 97 HB2 -0.08 -0.03 -0.03 -0.04 2.71 2.54 1ub1A9 ASP 97 HB3 -0.09 -0.07 0.14 -0.04 2.70 2.64 1ub1A9 ASP 98 H -0.09 0.16 0.05 -0.55 8.40 7.97 1ub1A9 ASP 98 HA -0.23 0.20 0.91 -0.75 4.63 4.75 1ub1A9 ASP 98 HB2 -0.07 -0.01 0.07 -0.04 2.71 2.66 1ub1A9 ASP 98 HB3 -0.12 -0.01 0.24 -0.04 2.70 2.77 1ub1A9 PRO 99 HA -0.23 0.12 0.51 -0.51 4.44 4.33 1ub1A9 PRO 99 HB2 -0.33 0.02 0.26 -0.04 2.28 2.18 1ub1A9 PRO 99 HB3 -0.16 0.03 0.12 -0.04 2.02 1.97 1ub1A9 PRO 99 HG2 -1.23 0.01 0.08 -0.04 2.03 0.85 1ub1A9 PRO 99 HG3 -0.29 0.02 0.05 -0.04 2.03 1.78 1ub1A9 PRO 99 HD2 -0.69 0.08 0.10 -0.04 3.68 3.14 1ub1A9 PRO 99 HD3 -0.30 -0.06 -0.26 -0.04 3.65 2.99 1ub1A9 THR 100 H -0.25 0.64 -0.33 -0.55 8.28 7.78 1ub1A9 THR 100 HA -0.18 0.18 0.65 -0.75 4.39 4.29 1ub1A9 THR 100 HB -0.01 -0.14 -0.15 -0.04 4.32 3.97 1ub1A9 THR 100 HG23 -0.20 0.08 -0.24 -0.04 1.22 0.82 1ub1A9 LEU 101 H 0.24 0.45 0.07 -0.55 8.37 8.58 1ub1A9 LEU 101 HA 0.07 0.08 0.40 -0.75 4.35 4.14 1ub1A9 LEU 101 HB2 0.29 0.03 0.14 -0.04 1.64 2.07 1ub1A9 LEU 101 HB3 0.13 0.00 0.01 -0.04 1.64 1.74 1ub1A9 LEU 101 HG 0.14 -0.01 -0.05 -0.04 1.64 1.68 1ub1A9 LEU 101 HD13 0.23 0.00 0.02 -0.04 0.93 1.14 1ub1A9 LEU 101 HD23 0.07 -0.00 0.00 -0.04 0.89 0.92 1ub1A9 PRO 102 HA 0.07 0.15 0.45 -0.51 4.44 4.60 1ub1A9 PRO 102 HB2 0.08 0.07 0.07 -0.04 2.28 2.46 1ub1A9 PRO 102 HB3 0.07 0.03 0.07 -0.04 2.02 2.15 1ub1A9 PRO 102 HG2 0.25 0.16 -0.13 -0.04 2.03 2.27 1ub1A9 PRO 102 HG3 0.15 0.10 0.05 -0.04 2.03 2.28 1ub1A9 PRO 102 HD2 0.39 -0.07 -0.07 -0.04 3.68 3.90 1ub1A9 PRO 102 HD3 0.42 0.10 0.17 -0.04 3.65 4.30 1ub1A9 GLU 103 H 0.07 0.25 -1.21 -0.55 8.60 7.17 1ub1A9 GLU 103 HA 0.02 0.11 0.24 -0.75 4.29 3.91 1ub1A9 GLU 103 HB2 0.03 0.03 -0.39 -0.04 2.09 1.71 1ub1A9 GLU 103 HB3 0.02 0.05 0.27 -0.04 1.99 2.29 1ub1A9 GLU 103 HG2 0.01 -0.01 0.04 -0.04 2.34 2.34 1ub1A9 GLU 103 HG3 0.01 -0.03 0.06 -0.04 2.34 2.33 1ub1A9 GLY 104 H 0.11 -0.02 -0.54 -0.55 8.43 7.43 1ub1A9 GLY 104 HA2 0.03 0.03 0.37 -0.51 4.01 3.92 1ub1A9 GLY 104 HA3 0.06 0.13 0.28 -0.51 4.01 3.96 1ub1A9 TRP 105 H 0.02 0.14 -0.14 -0.55 7.97 7.43 1ub1A9 TRP 105 HA -0.01 0.45 0.41 -0.75 4.62 4.71 1ub1A9 TRP 105 HB2 0.05 0.07 0.22 -0.04 3.23 3.54 1ub1A9 TRP 105 HB3 0.02 -0.16 -0.39 -0.04 3.23 2.66 1ub1A9 TRP 105 HD1 0.04 -0.24 0.21 -0.04 7.22 7.19 1ub1A9 TRP 105 HE1 0.05 -0.08 0.12 -0.04 10.20 10.25 1ub1A9 TRP 105 HE3 0.04 0.24 -0.16 -0.04 7.59 7.66 1ub1A9 TRP 105 HZ2 0.07 -0.00 0.01 -0.04 7.44 7.48 1ub1A9 TRP 105 HZ3 0.08 -0.05 -0.30 -0.04 7.13 6.83 1ub1A9 TRP 105 HH2 0.09 -0.02 -0.03 -0.04 7.19 7.19 1ub1A9 THR 106 H 0.25 0.43 0.23 -0.55 8.28 8.64 1ub1A9 THR 106 HA -1.08 0.07 0.60 -0.75 4.39 3.23 1ub1A9 THR 106 HB -0.28 -0.06 -0.31 -0.04 4.32 3.63 1ub1A9 THR 106 HG23 -0.09 0.01 -0.12 -0.04 1.22 0.98 1ub1A9 ARG 107 H -0.22 0.14 0.16 -0.55 8.46 8.00 1ub1A9 ARG 107 HA 0.25 0.35 1.09 -0.75 4.34 5.28 1ub1A9 ARG 107 HB2 0.23 -0.06 -0.08 -0.04 1.90 1.95 1ub1A9 ARG 107 HB3 0.43 0.00 0.03 -0.04 1.80 2.22 1ub1A9 ARG 107 HG2 -0.00 -0.03 0.20 -0.04 1.67 1.80 1ub1A9 ARG 107 HG3 0.08 -0.03 -0.06 -0.04 1.67 1.62 1ub1A9 ARG 107 HD2 0.08 -0.02 -0.06 -0.04 3.22 3.18 1ub1A9 ARG 107 HD3 0.20 0.03 -0.08 -0.04 3.22 3.33 1ub1A9 LYS 108 H 0.16 1.02 0.52 -0.55 8.42 9.57 1ub1A9 LYS 108 HA 0.05 0.17 1.08 -0.75 4.32 4.87 1ub1A9 LYS 108 HB2 0.03 0.02 0.10 -0.04 1.87 1.97 1ub1A9 LYS 108 HB3 0.09 0.00 -0.01 -0.04 1.79 1.83 1ub1A9 LYS 108 HG2 -0.04 -0.01 -0.02 -0.04 1.46 1.36 1ub1A9 LYS 108 HG3 -0.01 0.05 0.07 -0.04 1.46 1.54 1ub1A9 LYS 108 HD2 -0.01 -0.05 -0.62 -0.04 1.69 0.96 1ub1A9 LYS 108 HD3 -0.06 -0.01 -0.11 -0.04 1.68 1.45 1ub1A9 LYS 108 HE2 -0.01 0.01 0.17 -0.04 2.99 3.11 1ub1A9 LYS 108 HE3 -0.02 0.02 0.14 -0.04 2.99 3.09 1ub1A9 LEU 109 H 0.05 0.23 0.26 -0.55 8.37 8.37 1ub1A9 LEU 109 HA 0.08 0.24 1.22 -0.75 4.35 5.13 1ub1A9 LEU 109 HB2 0.04 -0.08 0.07 -0.04 1.64 1.63 1ub1A9 LEU 109 HB3 -0.02 0.06 0.10 -0.04 1.64 1.74 1ub1A9 LEU 109 HG 0.07 -0.07 -0.40 -0.04 1.64 1.20 1ub1A9 LEU 109 HD13 0.03 -0.04 -0.05 -0.04 0.93 0.82 1ub1A9 LEU 109 HD23 0.05 -0.03 -0.01 -0.04 0.89 0.85 1ub1A9 LYS 110 H 0.07 0.91 0.48 -0.55 8.42 9.33 1ub1A9 LYS 110 HA 0.03 0.14 0.64 -0.75 4.32 4.38 1ub1A9 LYS 110 HB2 0.10 -0.01 -0.27 -0.04 1.87 1.65 1ub1A9 LYS 110 HB3 0.07 0.05 0.03 -0.04 1.79 1.90 1ub1A9 LYS 110 HG2 0.04 -0.04 0.16 -0.04 1.46 1.58 1ub1A9 LYS 110 HG3 0.05 0.15 -0.01 -0.04 1.46 1.60 1ub1A9 LYS 110 HD2 0.05 0.00 -0.03 -0.04 1.69 1.68 1ub1A9 LYS 110 HD3 0.09 -0.00 -0.06 -0.04 1.68 1.67 1ub1A9 LYS 110 HE2 0.05 0.01 0.05 -0.04 2.99 3.06 1ub1A9 LYS 110 HE3 0.04 -0.00 0.03 -0.04 2.99 3.02 1ub1A9 GLN 111 H 0.09 0.20 0.14 -0.55 8.47 8.35 1ub1A9 GLN 111 HA 0.22 0.06 0.85 -0.75 4.36 4.73 1ub1A9 GLN 111 HB2 0.10 0.01 0.08 -0.04 2.15 2.29 1ub1A9 GLN 111 HB3 0.09 0.06 -0.15 -0.04 2.02 1.97 1ub1A9 GLN 111 HG2 0.32 0.04 -0.01 -0.04 2.40 2.70 1ub1A9 GLN 111 HG3 0.32 -0.06 -0.10 -0.04 2.39 2.51 1ub1A9 GLN 111 HE21 0.11 0.03 -0.02 -0.04 6.97 7.05 1ub1A9 GLN 111 HE22 0.09 0.01 -0.01 -0.04 7.69 7.74 1ub1A9 ARG 112 H 0.05 0.17 0.10 -0.55 8.46 8.23 1ub1A9 ARG 112 HA 0.01 0.13 0.51 -0.75 4.34 4.24 1ub1A9 ARG 112 HB2 0.01 0.06 0.01 -0.04 1.90 1.94 1ub1A9 ARG 112 HB3 -0.00 -0.02 0.14 -0.04 1.80 1.88 1ub1A9 ARG 112 HG2 -0.00 -0.01 -0.03 -0.04 1.67 1.59 1ub1A9 ARG 112 HG3 -0.01 0.02 -0.00 -0.04 1.67 1.63 1ub1A9 ARG 112 HD2 -0.01 -0.04 -0.17 -0.04 3.22 2.96 1ub1A9 ARG 112 HD3 -0.00 -0.06 -0.23 -0.04 3.22 2.89 1ub1A9 LYS 113 H -0.01 0.18 0.07 -0.55 8.42 8.11 1ub1A9 LYS 113 HA 0.01 0.26 0.79 -0.75 4.32 4.62 1ub1A9 LYS 113 HB2 -0.01 0.13 -0.24 -0.04 1.87 1.71 1ub1A9 LYS 113 HB3 -0.01 -0.28 -0.15 -0.04 1.79 1.30 1ub1A9 LYS 113 HG2 0.00 0.22 -0.34 -0.04 1.46 1.30 1ub1A9 LYS 113 HG3 -0.00 0.04 -0.13 -0.04 1.46 1.33 1ub1A9 LYS 113 HD2 0.00 0.05 0.02 -0.04 1.69 1.72 1ub1A9 LYS 113 HD3 0.00 -0.27 0.07 -0.04 1.68 1.44 1ub1A9 LYS 113 HE2 0.01 -0.06 0.09 -0.04 2.99 2.99 1ub1A9 LYS 113 HE3 0.01 0.27 0.10 -0.04 2.99 3.33 1ub1A9 SER 114 H 0.00 0.13 0.02 -0.55 8.46 8.06 1ub1A9 SER 114 HA -0.01 0.21 0.73 -0.75 4.49 4.66 1ub1A9 SER 114 HB2 0.02 -0.02 -0.18 -0.04 3.95 3.73 1ub1A9 SER 114 HB3 0.01 0.04 0.17 -0.04 3.93 4.11 1ub1A9 GLY 115 H -0.01 -0.06 -0.15 -0.55 8.43 7.66 1ub1A9 GLY 115 HA2 -0.00 0.17 0.37 -0.51 4.01 4.04 1ub1A9 GLY 115 HA3 -0.00 0.11 0.43 -0.51 4.01 4.04 1ub1A9 ARG 116 H -0.00 0.11 0.08 -0.55 8.46 8.10 1ub1A9 ARG 116 HA -0.00 0.12 0.36 -0.75 4.34 4.06 1ub1A9 ARG 116 HB2 -0.00 -0.19 0.16 -0.04 1.90 1.82 1ub1A9 ARG 116 HB3 -0.00 0.11 0.04 -0.04 1.80 1.91 1ub1A9 ARG 116 HG2 0.00 -0.03 0.11 -0.04 1.67 1.72 1ub1A9 ARG 116 HG3 0.00 0.01 0.07 -0.04 1.67 1.71 1ub1A9 ARG 116 HD2 0.00 0.02 0.02 -0.04 3.22 3.23 1ub1A9 ARG 116 HD3 -0.00 0.04 0.03 -0.04 3.22 3.25 1ub1A9 SER 117 H -0.01 -0.02 -0.12 -0.55 8.46 7.76 1ub1A9 SER 117 HA -0.01 0.36 0.89 -0.75 4.49 4.97 1ub1A9 SER 117 HB2 -0.01 0.03 -0.08 -0.04 3.95 3.85 1ub1A9 SER 117 HB3 -0.01 -0.08 0.02 -0.04 3.93 3.82 1ub1A9 ALA 118 H -0.02 0.07 -0.51 -0.55 8.40 7.40 1ub1A9 ALA 118 HA -0.03 -0.05 0.07 -0.75 4.34 3.57 1ub1A9 ALA 118 HB3 -0.03 0.04 -0.13 -0.04 1.41 1.25 1ub1A9 GLY 119 H -0.08 0.06 0.02 -0.55 8.43 7.88 1ub1A9 GLY 119 HA2 -0.07 0.12 0.55 -0.51 4.01 4.09 1ub1A9 GLY 119 HA3 -0.06 0.04 0.44 -0.51 4.01 3.92 1ub1A9 LYS 120 H -0.08 0.17 0.27 -0.55 8.42 8.22 1ub1A9 LYS 120 HA -0.33 0.14 1.02 -0.75 4.32 4.40 1ub1A9 LYS 120 HB2 -0.06 -0.04 0.17 -0.04 1.87 1.90 1ub1A9 LYS 120 HB3 -0.04 0.22 0.14 -0.04 1.79 2.06 1ub1A9 LYS 120 HG2 -0.13 0.00 0.07 -0.04 1.46 1.36 1ub1A9 LYS 120 HG3 -0.04 0.04 0.03 -0.04 1.46 1.45 1ub1A9 LYS 120 HD2 0.04 0.10 0.08 -0.04 1.69 1.86 1ub1A9 LYS 120 HD3 0.04 -0.19 0.15 -0.04 1.68 1.64 1ub1A9 LYS 120 HE2 0.22 -0.05 0.05 -0.04 2.99 3.16 1ub1A9 LYS 120 HE3 0.01 0.02 0.06 -0.04 2.99 3.03 1ub1A9 TYR 121 H -0.49 0.09 0.20 -0.55 8.29 7.54 1ub1A9 TYR 121 HA 0.00 -0.14 0.52 -0.75 4.56 4.18 1ub1A9 TYR 121 HB2 0.00 -0.06 0.05 -0.04 3.06 3.01 1ub1A9 TYR 121 HB3 0.01 0.21 0.21 -0.04 2.98 3.36 1ub1A9 TYR 121 HD2 0.00 -0.03 -0.00 -0.04 7.15 7.08 1ub1A9 TYR 121 HE2 0.00 0.01 0.02 -0.04 6.85 6.84 1ub1A9 ASP 122 H 0.16 1.06 0.51 -0.55 8.40 9.58 1ub1A9 ASP 122 HA 0.05 0.19 0.82 -0.75 4.63 4.94 1ub1A9 ASP 122 HB2 0.02 -0.08 -0.16 -0.04 2.71 2.46 1ub1A9 ASP 122 HB3 -0.03 0.02 -0.16 -0.04 2.70 2.49 1ub1A9 VAL 123 H 0.05 0.17 0.18 -0.55 8.24 8.09 1ub1A9 VAL 123 HA 0.10 0.23 0.97 -0.75 4.13 4.67 1ub1A9 VAL 123 HB 0.08 -0.36 0.07 -0.04 2.12 1.86 1ub1A9 VAL 123 HG13 0.18 0.04 -0.24 -0.04 0.97 0.91 1ub1A9 VAL 123 HG23 0.08 -0.01 -0.08 -0.04 0.95 0.89 1ub1A9 TYR 124 H 0.21 0.31 0.14 -0.55 8.29 8.40 1ub1A9 TYR 124 HA 0.11 0.42 0.97 -0.75 4.56 5.31 1ub1A9 TYR 124 HB2 0.05 0.26 0.03 -0.04 3.06 3.36 1ub1A9 TYR 124 HB3 0.02 -0.13 0.10 -0.04 2.98 2.93 1ub1A9 TYR 124 HD2 0.04 0.05 -0.23 -0.04 7.15 6.97 1ub1A9 TYR 124 HE2 0.07 0.06 -0.48 -0.04 6.85 6.46 1ub1A9 LEU 125 H 0.40 0.70 0.31 -0.55 8.37 9.22 1ub1A9 LEU 125 HA 0.34 0.13 0.82 -0.75 4.35 4.88 1ub1A9 LEU 125 HB2 0.46 -0.05 0.13 -0.04 1.64 2.13 1ub1A9 LEU 125 HB3 0.26 0.05 -0.05 -0.04 1.64 1.85 1ub1A9 LEU 125 HG 0.36 0.02 -0.13 -0.04 1.64 1.84 1ub1A9 LEU 125 HD13 0.37 0.02 -0.22 -0.04 0.93 1.05 1ub1A9 LEU 125 HD23 0.42 0.02 -0.10 -0.04 0.89 1.18 1ub1A9 ILE 126 H 0.17 0.64 0.30 -0.55 8.25 8.81 1ub1A9 ILE 126 HA -0.48 0.32 0.74 -0.75 4.18 4.01 1ub1A9 ILE 126 HB -0.01 -0.09 0.17 -0.04 1.89 1.92 1ub1A9 ILE 126 HG12 -0.26 -0.03 -0.17 -0.04 1.49 0.98 1ub1A9 ILE 126 HG13 -0.10 -0.09 -0.13 -0.04 1.21 0.85 1ub1A9 ILE 126 HG23 -0.15 -0.00 -0.24 -0.04 0.93 0.49 1ub1A9 ILE 126 HD13 -0.07 -0.02 -0.07 -0.04 0.88 0.69 1ub1A9 ASN 127 H -0.51 0.75 0.33 -0.55 8.53 8.56 1ub1A9 ASN 127 HA 0.14 0.15 0.53 -0.75 4.76 4.83 1ub1A9 ASN 127 HB2 0.06 0.09 0.22 -0.04 2.88 3.21 1ub1A9 ASN 127 HB3 0.13 -0.24 0.14 -0.04 2.79 2.77 1ub1A9 ASN 127 HD21 0.44 -0.02 0.01 -0.04 7.03 7.42 1ub1A9 ASN 127 HD22 0.52 0.01 -0.06 -0.04 7.74 8.16 1ub1A9 PRO 128 HA 0.08 0.20 0.53 -0.51 4.44 4.73 1ub1A9 PRO 128 HB2 0.05 0.02 0.09 -0.04 2.28 2.40 1ub1A9 PRO 128 HB3 0.09 0.07 0.14 -0.04 2.02 2.28 1ub1A9 PRO 128 HG2 0.04 0.03 0.05 -0.04 2.03 2.11 1ub1A9 PRO 128 HG3 0.04 0.05 0.12 -0.04 2.03 2.20 1ub1A9 PRO 128 HD2 0.13 0.03 0.22 -0.04 3.68 4.02 1ub1A9 PRO 128 HD3 0.12 0.12 0.29 -0.04 3.65 4.14 1ub1A9 GLN 129 H 0.04 -0.12 -0.57 -0.55 8.47 7.27 1ub1A9 GLN 129 HA 0.02 0.29 0.85 -0.75 4.36 4.76 1ub1A9 GLN 129 HB2 0.03 0.07 0.07 -0.04 2.15 2.27 1ub1A9 GLN 129 HB3 0.06 -0.01 0.01 -0.04 2.02 2.04 1ub1A9 GLN 129 HG2 -0.02 -0.27 -0.29 -0.04 2.40 1.78 1ub1A9 GLN 129 HG3 0.01 0.06 -0.21 -0.04 2.39 2.20 1ub1A9 GLN 129 HE21 0.14 -0.10 0.03 -0.04 6.97 7.00 1ub1A9 GLN 129 HE22 0.20 0.06 0.03 -0.04 7.69 7.94 1ub1A9 GLY 130 H -0.04 0.24 -0.25 -0.55 8.43 7.83 1ub1A9 GLY 130 HA2 -0.08 0.06 0.18 -0.51 4.01 3.66 1ub1A9 GLY 130 HA3 -0.06 0.20 0.67 -0.51 4.01 4.30 1ub1A9 LYS 131 H -0.14 -0.08 -0.03 -0.55 8.42 7.61 1ub1A9 LYS 131 HA -0.24 0.19 0.79 -0.75 4.32 4.31 1ub1A9 LYS 131 HB2 -0.10 -0.01 -0.01 -0.04 1.87 1.71 1ub1A9 LYS 131 HB3 -0.22 -0.03 0.04 -0.04 1.79 1.54 1ub1A9 LYS 131 HG2 -0.11 0.04 -0.01 -0.04 1.46 1.34 1ub1A9 LYS 131 HG3 -0.32 -0.00 -0.02 -0.04 1.46 1.08 1ub1A9 LYS 131 HD2 -0.52 -0.03 -0.01 -0.04 1.69 1.08 1ub1A9 LYS 131 HD3 -0.45 0.11 -0.18 -0.04 1.68 1.12 1ub1A9 LYS 131 HE2 -0.12 0.02 0.15 -0.04 2.99 3.00 1ub1A9 LYS 131 HE3 -0.14 0.05 0.14 -0.04 2.99 3.00 1ub1A9 ALA 132 H -0.40 0.19 0.17 -0.55 8.40 7.81 1ub1A9 ALA 132 HA -0.62 0.26 0.54 -0.75 4.34 3.76 1ub1A9 ALA 132 HB3 -1.29 0.01 -0.09 -0.04 1.41 0.00 1ub1A9 PHE 133 H 0.02 0.34 0.21 -0.55 8.34 8.36 1ub1A9 PHE 133 HA 0.36 0.15 1.00 -0.75 4.62 5.37 1ub1A9 PHE 133 HB2 0.16 -0.11 0.14 -0.04 3.15 3.31 1ub1A9 PHE 133 HB3 0.14 0.01 -0.02 -0.04 3.06 3.15 1ub1A9 PHE 133 HD2 -0.10 -0.00 -0.29 -0.04 7.28 6.84 1ub1A9 PHE 133 HE2 -0.52 -0.04 -0.13 -0.04 7.38 6.65 1ub1A9 PHE 133 HZ 0.09 -0.06 -0.02 -0.04 7.32 7.30 1ub1A9 ARG 134 H 0.28 0.17 0.18 -0.55 8.46 8.54 1ub1A9 ARG 134 HA -0.16 0.37 0.93 -0.75 4.34 4.72 1ub1A9 ARG 134 HB2 -0.09 -0.02 0.10 -0.04 1.90 1.84 1ub1A9 ARG 134 HB3 -0.13 0.02 0.07 -0.04 1.80 1.72 1ub1A9 ARG 134 HG2 -0.98 0.12 -0.04 -0.04 1.67 0.72 1ub1A9 ARG 134 HG3 -1.41 -0.01 -0.10 -0.04 1.67 0.10 1ub1A9 ARG 134 HD2 -0.21 -0.01 -0.00 -0.04 3.22 2.96 1ub1A9 ARG 134 HD3 -0.34 0.02 -0.08 -0.04 3.22 2.78 1ub1A9 SER 135 H 0.14 0.07 0.04 -0.55 8.46 8.16 1ub1A9 SER 135 HA 0.03 0.34 0.83 -0.75 4.49 4.93 1ub1A9 SER 135 HB2 -0.00 0.10 -0.13 -0.04 3.95 3.87 1ub1A9 SER 135 HB3 -0.05 -0.22 0.05 -0.04 3.93 3.66 1ub1A9 LYS 136 H -0.24 0.33 0.14 -0.55 8.42 8.10 1ub1A9 LYS 136 HA -0.60 0.09 0.40 -0.75 4.32 3.46 1ub1A9 LYS 136 HB2 -2.34 0.08 0.08 -0.04 1.87 -0.36 1ub1A9 LYS 136 HB3 -0.66 0.04 0.10 -0.04 1.79 1.24 1ub1A9 LYS 136 HG2 -0.62 -0.13 0.07 -0.04 1.46 0.73 1ub1A9 LYS 136 HG3 -1.70 -0.05 0.10 -0.04 1.46 -0.24 1ub1A9 LYS 136 HD2 -0.27 0.13 0.08 -0.04 1.69 1.59 1ub1A9 LYS 136 HD3 -0.43 -0.04 0.01 -0.04 1.68 1.18 1ub1A9 LYS 136 HE2 -0.25 -0.21 -0.04 -0.04 2.99 2.45 1ub1A9 LYS 136 HE3 -0.12 0.06 -0.04 -0.04 2.99 2.85 1ub1A9 VAL 137 H -0.21 0.11 -0.17 -0.55 8.24 7.41 1ub1A9 VAL 137 HA -0.21 0.14 0.42 -0.75 4.13 3.72 1ub1A9 VAL 137 HB -0.13 0.09 0.09 -0.04 2.12 2.13 1ub1A9 VAL 137 HG13 -0.10 -0.03 0.03 -0.04 0.97 0.83 1ub1A9 VAL 137 HG23 -0.12 0.02 -0.06 -0.04 0.95 0.74 1ub1A9 GLU 138 H -0.16 0.11 -0.27 -0.55 8.60 7.73 1ub1A9 GLU 138 HA -0.37 0.08 0.38 -0.75 4.29 3.62 1ub1A9 GLU 138 HB2 -0.00 -0.08 0.15 -0.04 2.09 2.12 1ub1A9 GLU 138 HB3 0.18 0.05 0.00 -0.04 1.99 2.17 1ub1A9 GLU 138 HG2 0.27 0.05 0.07 -0.04 2.34 2.69 1ub1A9 GLU 138 HG3 -0.79 0.00 0.09 -0.04 2.34 1.60 1ub1A9 LEU 139 H -0.39 0.23 -0.71 -0.55 8.37 6.95 1ub1A9 LEU 139 HA -1.26 0.04 0.34 -0.75 4.35 2.72 1ub1A9 LEU 139 HB2 -0.48 -0.05 0.13 -0.04 1.64 1.19 1ub1A9 LEU 139 HB3 -0.58 0.18 0.16 -0.04 1.64 1.36 1ub1A9 LEU 139 HG -2.60 -0.01 -0.13 -0.04 1.64 -1.15 1ub1A9 LEU 139 HD13 -0.38 -0.00 -0.08 -0.04 0.93 0.43 1ub1A9 LEU 139 HD23 -0.13 -0.02 -0.20 -0.04 0.89 0.50 1ub1A9 ILE 140 H -0.37 0.39 -0.10 -0.55 8.25 7.63 1ub1A9 ILE 140 HA -0.08 0.05 0.40 -0.75 4.18 3.80 1ub1A9 ILE 140 HB -0.19 0.07 0.18 -0.04 1.89 1.91 1ub1A9 ILE 140 HG12 -0.04 0.03 -0.02 -0.04 1.49 1.42 1ub1A9 ILE 140 HG13 -0.02 -0.04 -0.00 -0.04 1.21 1.10 1ub1A9 ILE 140 HG23 -0.12 0.00 -0.12 -0.04 0.93 0.65 1ub1A9 ILE 140 HD13 -0.07 0.01 -0.02 -0.04 0.88 0.76 1ub1A9 ALA 141 H -0.31 0.36 -0.11 -0.55 8.40 7.79 1ub1A9 ALA 141 HA -0.17 0.05 0.36 -0.75 4.34 3.82 1ub1A9 ALA 141 HB3 -0.46 0.03 0.10 -0.04 1.41 1.05 1ub1A9 TYR 142 H -0.44 0.63 -0.23 -0.55 8.29 7.70 1ub1A9 TYR 142 HA 0.02 0.07 0.56 -0.75 4.56 4.46 1ub1A9 TYR 142 HB2 -0.70 0.11 0.11 -0.04 3.06 2.55 1ub1A9 TYR 142 HB3 0.14 -0.08 0.03 -0.04 2.98 3.03 1ub1A9 TYR 142 HD2 -0.66 -0.02 -0.15 -0.04 7.15 6.27 1ub1A9 TYR 142 HE2 0.17 -0.07 -0.01 -0.04 6.85 6.89 1ub1A9 PHE 143 H 0.05 0.49 -0.14 -0.55 8.34 8.19 1ub1A9 PHE 143 HA 0.01 -0.03 0.56 -0.75 4.62 4.40 1ub1A9 PHE 143 HB2 -0.10 0.01 0.21 -0.04 3.15 3.23 1ub1A9 PHE 143 HB3 -0.05 -0.04 -0.08 -0.04 3.06 2.84 1ub1A9 PHE 143 HD2 -0.03 -0.07 -0.17 -0.04 7.28 6.97 1ub1A9 PHE 143 HE2 0.12 0.01 -0.15 -0.04 7.38 7.32 1ub1A9 PHE 143 HZ -0.02 -0.04 -0.08 -0.04 7.32 7.15 1ub1A9 GLU 144 H 0.05 0.90 -0.11 -0.55 8.60 8.89 1ub1A9 GLU 144 HA 0.03 -0.01 0.34 -0.75 4.29 3.90 1ub1A9 GLU 144 HB2 -0.03 0.13 0.10 -0.04 2.09 2.25 1ub1A9 GLU 144 HB3 -0.01 0.02 -0.01 -0.04 1.99 1.95 1ub1A9 GLU 144 HG2 -0.01 -0.04 0.04 -0.04 2.34 2.30 1ub1A9 GLU 144 HG3 -0.03 -0.06 -0.01 -0.04 2.34 2.20 1ub1A9 LYS 145 H 0.08 0.16 -0.59 -0.55 8.42 7.52 1ub1A9 LYS 145 HA 0.03 0.16 0.73 -0.75 4.32 4.48 1ub1A9 LYS 145 HB2 0.04 -0.02 0.06 -0.04 1.87 1.92 1ub1A9 LYS 145 HB3 0.06 0.02 0.06 -0.04 1.79 1.89 1ub1A9 LYS 145 HG2 0.12 0.21 0.18 -0.04 1.46 1.93 1ub1A9 LYS 145 HG3 0.06 0.04 -0.22 -0.04 1.46 1.30 1ub1A9 LYS 145 HD2 0.07 -0.02 0.01 -0.04 1.69 1.71 1ub1A9 LYS 145 HD3 0.13 -0.01 0.06 -0.04 1.68 1.82 1ub1A9 LYS 145 HE2 0.10 -0.05 0.01 -0.04 2.99 3.01 1ub1A9 LYS 145 HE3 0.08 0.01 -0.02 -0.04 2.99 3.01 1ub1A9 VAL 146 H 0.08 0.24 0.05 -0.55 8.24 8.06 1ub1A9 VAL 146 HA -0.00 0.15 0.58 -0.75 4.13 4.10 1ub1A9 VAL 146 HB 0.05 -0.02 0.10 -0.04 2.12 2.20 1ub1A9 VAL 146 HG13 0.01 0.03 0.06 -0.04 0.97 1.03 1ub1A9 VAL 146 HG23 -0.05 0.00 0.03 -0.04 0.95 0.89 1ub1A9 GLY 147 H 0.01 0.03 -0.94 -0.55 8.43 6.98 1ub1A9 GLY 147 HA2 -0.01 -0.03 0.25 -0.51 4.01 3.71 1ub1A9 GLY 147 HA3 -0.03 -0.05 0.28 -0.51 4.01 3.69 1ub1A9 ASP 148 H -0.20 -0.10 -0.58 -0.55 8.40 6.97 1ub1A9 ASP 148 HA -1.52 -0.10 0.29 -0.75 4.63 2.54 1ub1A9 ASP 148 HB2 -0.31 -0.08 0.02 -0.04 2.71 2.30 1ub1A9 ASP 148 HB3 -0.10 0.00 -0.53 -0.04 2.70 2.03 1ub1A9 THR 149 H -0.64 0.16 0.02 -0.55 8.28 7.28 1ub1A9 THR 149 HA -0.15 0.11 0.59 -0.75 4.39 4.19 1ub1A9 THR 149 HB -0.20 -0.04 -0.21 -0.04 4.32 3.84 1ub1A9 THR 149 HG23 -0.06 -0.02 -0.01 -0.04 1.22 1.09 1ub1A9 SER 150 H -0.09 0.22 -0.01 -0.55 8.46 8.03 1ub1A9 SER 150 HA -0.03 0.03 0.37 -0.75 4.49 4.11 1ub1A9 SER 150 HB2 -0.03 0.06 -0.37 -0.04 3.95 3.56 1ub1A9 SER 150 HB3 -0.09 -0.04 0.35 -0.04 3.93 4.11 1ub1A9 LEU 151 H -0.21 0.46 0.02 -0.55 8.37 8.09 1ub1A9 LEU 151 HA -0.05 0.10 0.60 -0.75 4.35 4.25 1ub1A9 LEU 151 HB2 -0.16 -0.06 0.02 -0.04 1.64 1.41 1ub1A9 LEU 151 HB3 -0.47 0.03 0.08 -0.04 1.64 1.25 1ub1A9 LEU 151 HG 0.11 -0.05 0.02 -0.04 1.64 1.68 1ub1A9 LEU 151 HD13 -0.11 -0.02 -0.09 -0.04 0.93 0.66 1ub1A9 LEU 151 HD23 -0.65 0.02 0.10 -0.04 0.89 0.32 1ub1A9 ASP 152 H 0.05 0.18 0.06 -0.55 8.40 8.14 1ub1A9 ASP 152 HA 0.15 0.29 0.74 -0.75 4.63 5.06 1ub1A9 ASP 152 HB2 0.06 -0.07 0.04 -0.04 2.71 2.70 1ub1A9 ASP 152 HB3 0.03 0.14 -0.04 -0.04 2.70 2.79 1ub1A9 PRO 153 HA -0.00 0.08 0.51 -0.51 4.44 4.52 1ub1A9 PRO 153 HB2 -0.12 0.07 -0.01 -0.04 2.28 2.18 1ub1A9 PRO 153 HB3 -0.21 0.01 0.03 -0.04 2.02 1.81 1ub1A9 PRO 153 HG2 0.02 0.08 -0.00 -0.04 2.03 2.09 1ub1A9 PRO 153 HG3 0.11 0.07 -0.03 -0.04 2.03 2.14 1ub1A9 PRO 153 HD2 0.09 0.11 0.15 -0.04 3.68 3.99 1ub1A9 PRO 153 HD3 0.28 0.24 0.15 -0.04 3.65 4.28 1ub1A9 ASN 154 H 0.05 0.11 -0.27 -0.55 8.53 7.88 1ub1A9 ASN 154 HA 0.01 0.16 0.50 -0.75 4.76 4.68 1ub1A9 ASN 154 HB2 0.01 -0.03 0.04 -0.04 2.88 2.86 1ub1A9 ASN 154 HB3 0.01 0.05 -0.11 -0.04 2.79 2.70 1ub1A9 ASN 154 HD21 -0.01 0.01 -0.00 -0.04 7.03 6.99 1ub1A9 ASN 154 HD22 -0.01 0.02 0.02 -0.04 7.74 7.72 1ub1A9 ASP 155 H 0.10 0.10 -0.60 -0.55 8.40 7.45 1ub1A9 ASP 155 HA -0.09 0.21 0.57 -0.75 4.63 4.57 1ub1A9 ASP 155 HB2 -0.00 -0.07 -0.26 -0.04 2.71 2.34 1ub1A9 ASP 155 HB3 0.00 -0.04 0.07 -0.04 2.70 2.68 1ub1A9 PHE 156 H 0.43 0.03 -0.15 -0.55 8.34 8.10 1ub1A9 PHE 156 HA -0.01 0.02 0.31 -0.75 4.62 4.19 1ub1A9 PHE 156 HB2 -0.02 -0.04 -0.09 -0.04 3.15 2.97 1ub1A9 PHE 156 HB3 -0.06 -0.02 0.12 -0.04 3.06 3.06 1ub1A9 PHE 156 HD2 -0.01 0.04 -0.25 -0.04 7.28 7.01 1ub1A9 PHE 156 HE2 -0.00 0.06 -0.14 -0.04 7.38 7.26 1ub1A9 PHE 156 HZ 0.19 0.11 -0.01 -0.04 7.32 7.57 1ub1A9 ASP 157 H 0.03 0.09 0.05 -0.55 8.40 8.03 1ub1A9 ASP 157 HA 0.08 0.15 0.34 -0.75 4.63 4.45 1ub1A9 ASP 157 HB2 0.37 -0.07 0.12 -0.04 2.71 3.09 1ub1A9 ASP 157 HB3 0.36 0.06 0.07 -0.04 2.70 3.14 1ub1A9 PHE 158 H -0.01 0.56 0.33 -0.55 8.34 8.67 1ub1A9 PHE 158 HA -0.17 0.04 0.58 -0.75 4.62 4.30 1ub1A9 PHE 158 HB2 -0.33 0.02 -0.06 -0.04 3.15 2.73 1ub1A9 PHE 158 HB3 -2.72 0.12 -0.06 -0.04 3.06 0.36 1ub1A9 PHE 158 HD2 -0.15 0.04 0.07 -0.04 7.28 7.20 1ub1A9 PHE 158 HE2 -0.04 0.07 -0.07 -0.04 7.38 7.29 1ub1A9 PHE 158 HZ -0.03 0.04 0.02 -0.04 7.32 7.31 1ub1A9 THR 159 H 0.01 0.11 -0.06 -0.55 8.28 7.79 1ub1A9 THR 159 HA -0.29 0.29 0.83 -0.75 4.39 4.47 1ub1A9 THR 159 HB -0.03 -0.00 0.11 -0.04 4.32 4.36 1ub1A9 THR 159 HG23 0.01 0.05 -0.21 -0.04 1.22 1.02 1ub1A9 VAL 160 H -0.01 0.19 0.04 -0.55 8.24 7.90 1ub1A9 VAL 160 HA -0.02 0.17 0.29 -0.75 4.13 3.81 1ub1A9 VAL 160 HB 0.06 0.01 -0.02 -0.04 2.12 2.13 1ub1A9 VAL 160 HG13 0.07 -0.05 -0.33 -0.04 0.97 0.61 1ub1A9 VAL 160 HG23 0.10 0.02 -0.29 -0.04 0.95 0.74 1ub1A9 THR 161 H 0.04 -0.08 -0.34 -0.55 8.28 7.35 1ub1A9 THR 161 HA 0.05 0.28 0.65 -0.75 4.39 4.61 1ub1A9 THR 161 HB 0.06 -0.34 0.20 -0.04 4.32 4.20 1ub1A9 THR 161 HG23 0.19 0.02 -0.11 -0.04 1.22 1.28 1ub1A9 GLY 162 H -0.10 0.59 -0.97 -0.55 8.43 7.41 1ub1A9 GLY 162 HA2 0.45 0.18 0.75 -0.51 4.01 4.89 1ub1A9 GLY 162 HA3 -0.39 -0.09 -0.01 -0.51 4.01 3.01 1ub1A9 ARG 163 H -1.34 0.24 0.03 -0.55 8.46 6.85 1ub1A9 ARG 163 HA 0.04 0.15 0.53 -0.75 4.34 4.30 1ub1A9 ARG 163 HB2 -0.77 0.02 0.14 -0.04 1.90 1.24 1ub1A9 ARG 163 HB3 -0.19 0.01 -0.06 -0.04 1.80 1.52 1ub1A9 ARG 163 HG2 0.44 -0.00 0.03 -0.04 1.67 2.10 1ub1A9 ARG 163 HG3 0.13 -0.01 0.03 -0.04 1.67 1.78 1ub1A9 ARG 163 HD2 0.03 -0.01 0.05 -0.04 3.22 3.24 1ub1A9 ARG 163 HD3 0.07 0.05 0.17 -0.04 3.22 3.47 1ub1A9 GLY 164 H -0.23 0.29 -0.22 -0.55 8.43 7.72 1ub1A9 GLY 164 HA2 -0.05 0.19 0.66 -0.51 4.01 4.30 1ub1A9 GLY 164 HA3 -0.07 -0.12 0.26 -0.51 4.01 3.57 1ub1A9 SER 165 H -0.01 0.21 -0.73 -0.55 8.46 7.38 1ub1A9 SER 165 HA 0.01 0.32 0.74 -0.75 4.49 4.81 1ub1A9 SER 165 HB2 0.04 -0.10 -0.07 -0.04 3.95 3.79 1ub1A9 SER 165 HB3 0.06 -0.03 -0.31 -0.04 3.93 3.61 1ub1A9 PRO 166 HA -0.01 0.11 0.56 -0.51 4.44 4.60 1ub1A9 PRO 166 HB2 -0.02 0.09 0.19 -0.04 2.28 2.49 1ub1A9 PRO 166 HB3 -0.03 -0.01 0.18 -0.04 2.02 2.12 1ub1A9 PRO 166 HG2 -0.02 -0.05 0.27 -0.04 2.03 2.19 1ub1A9 PRO 166 HG3 -0.04 -0.02 0.32 -0.04 2.03 2.25 1ub1A9 PRO 166 HD2 0.01 0.00 0.27 -0.04 3.68 3.91 1ub1A9 PRO 166 HD3 -0.00 0.44 0.42 -0.04 3.65 4.47 1ub1A9 SER 167 H -0.01 0.03 0.12 -0.55 8.46 8.06 1ub1A9 SER 167 HA -0.00 -0.03 0.33 -0.75 4.49 4.04 1ub1A9 SER 167 HB2 0.01 -0.03 -0.42 -0.04 3.95 3.47 1ub1A9 SER 167 HB3 0.01 0.16 -0.06 -0.04 3.93 3.99 1ub1A9 ARG 168 H -0.00 0.15 0.05 -0.55 8.46 8.11 1ub1A9 ARG 168 HA -0.01 0.22 0.99 -0.75 4.34 4.79 1ub1A9 ARG 168 HB2 -0.01 -0.03 0.03 -0.04 1.90 1.85 1ub1A9 ARG 168 HB3 -0.00 -0.01 0.24 -0.04 1.80 1.98 1ub1A9 ARG 168 HG2 -0.00 0.03 -0.11 -0.04 1.67 1.55 1ub1A9 ARG 168 HG3 -0.01 0.03 0.03 -0.04 1.67 1.68 1ub1A9 ARG 168 HD2 -0.00 0.00 0.01 -0.04 3.22 3.19 1ub1A9 ARG 168 HD3 -0.00 -0.04 0.04 -0.04 3.22 3.18 1ub1A9 ARG 169 H -0.00 0.23 -0.09 -0.55 8.46 8.04 1ub1A9 ARG 169 HA 0.00 -0.01 0.40 -0.75 4.34 3.98 1ub1A9 ARG 169 HB2 -0.00 -0.07 -0.23 -0.04 1.90 1.55 1ub1A9 ARG 169 HB3 -0.00 0.17 0.33 -0.04 1.80 2.26 1ub1A9 ARG 169 HG2 0.00 -0.04 -0.02 -0.04 1.67 1.57 1ub1A9 ARG 169 HG3 0.00 0.11 0.04 -0.04 1.67 1.78 1ub1A9 ARG 169 HD2 0.00 0.00 0.06 -0.04 3.22 3.24 1ub1A9 ARG 169 HD3 -0.00 -0.03 0.01 -0.04 3.22 3.16 1ub1A9 GLU 170 H 0.00 0.15 0.17 -0.55 8.60 8.37 1ub1A9 GLU 170 HA 0.01 0.22 0.94 -0.75 4.29 4.70 1ub1A9 GLU 170 HB2 0.01 0.02 0.14 -0.04 2.09 2.22 1ub1A9 GLU 170 HB3 0.01 0.04 -0.10 -0.04 1.99 1.90 1ub1A9 GLU 170 HG2 0.01 -0.04 -0.14 -0.04 2.34 2.13 1ub1A9 GLU 170 HG3 0.02 0.05 -0.07 -0.04 2.34 2.30 1ub1A9 GLN 171 H 0.01 0.21 0.19 -0.55 8.47 8.34 1ub1A9 GLN 171 HA 0.00 0.21 0.84 -0.75 4.36 4.67 1ub1A9 GLN 171 HB2 0.00 -0.01 -0.14 -0.04 2.15 1.97 1ub1A9 GLN 171 HB3 0.00 0.02 -0.02 -0.04 2.02 1.97 1ub1A9 GLN 171 HG2 0.00 -0.05 0.02 -0.04 2.40 2.33 1ub1A9 GLN 171 HG3 0.00 0.08 0.13 -0.04 2.39 2.56 1ub1A9 GLN 171 HE21 -0.00 -0.01 -0.01 -0.04 6.97 6.91 1ub1A9 GLN 171 HE22 -0.00 -0.01 -0.02 -0.04 7.69 7.62 1ub1A9 ARG 172 H 0.00 0.13 -0.01 -0.55 8.46 8.03 1ub1A9 ARG 172 HA 0.00 0.10 0.50 -0.75 4.34 4.20 1ub1A9 ARG 172 HB2 0.01 0.15 -0.02 -0.04 1.90 2.00 1ub1A9 ARG 172 HB3 0.01 -0.07 -0.01 -0.04 1.80 1.69 1ub1A9 ARG 172 HG2 0.01 -0.05 -0.09 -0.04 1.67 1.49 1ub1A9 ARG 172 HG3 0.01 0.14 -0.06 -0.04 1.67 1.72 1ub1A9 ARG 172 HD2 0.01 -0.00 0.00 -0.04 3.22 3.19 1ub1A9 ARG 172 HD3 0.01 0.01 0.01 -0.04 3.22 3.22 1ub1A9 PRO 173 HA 0.00 0.08 0.59 -0.51 4.44 4.61 1ub1A9 PRO 173 HB2 -0.00 0.16 0.06 -0.04 2.28 2.46 1ub1A9 PRO 173 HB3 -0.00 -0.04 0.12 -0.04 2.02 2.07 1ub1A9 PRO 173 HG2 -0.00 0.07 0.07 -0.04 2.03 2.12 1ub1A9 PRO 173 HG3 -0.00 -0.01 0.06 -0.04 2.03 2.04 1ub1A9 PRO 173 HD2 0.00 0.13 0.17 -0.04 3.68 3.94 1ub1A9 PRO 173 HD3 0.00 0.04 0.07 -0.04 3.65 3.73 1ub1A9 PRO 174 HA 0.00 0.15 0.49 -0.51 4.44 4.57 1ub1A9 PRO 174 HB2 0.00 -0.04 0.07 -0.04 2.28 2.27 1ub1A9 PRO 174 HB3 0.00 0.04 0.11 -0.04 2.02 2.13 1ub1A9 PRO 174 HG2 -0.00 0.01 0.03 -0.04 2.03 2.03 1ub1A9 PRO 174 HG3 0.00 0.04 0.08 -0.04 2.03 2.11 1ub1A9 PRO 174 HD2 -0.00 0.08 0.19 -0.04 3.68 3.90 1ub1A9 PRO 174 HD3 0.00 0.13 0.25 -0.04 3.65 3.99 1ub1A9 LYS 175 H -0.00 0.16 0.05 -0.55 8.42 8.08 1ub1A9 LYS 175 HA -0.00 0.02 0.46 -0.75 4.32 4.05 1ub1A9 LYS 175 HB2 -0.00 0.26 0.05 -0.04 1.87 2.14 1ub1A9 LYS 175 HB3 -0.00 -0.03 -0.08 -0.04 1.79 1.64 1ub1A9 LYS 175 HG2 -0.00 -0.03 -0.06 -0.04 1.46 1.32 1ub1A9 LYS 175 HG3 -0.00 0.01 -0.28 -0.04 1.46 1.15 1ub1A9 LYS 175 HD2 -0.00 0.00 0.04 -0.04 1.69 1.69 1ub1A9 LYS 175 HD3 -0.00 0.07 0.07 -0.04 1.68 1.77 1ub1A9 LYS 175 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.92 1ub1A9 LYS 175 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.91 1ub1A9 LYS 176 H -0.00 0.32 0.21 -0.55 8.42 8.40 1ub1A9 LYS 176 HA -0.00 0.16 0.60 -0.75 4.32 4.32 1ub1A9 LYS 176 HB2 -0.00 -0.03 0.12 -0.04 1.87 1.93 1ub1A9 LYS 176 HB3 -0.00 0.09 -0.15 -0.04 1.79 1.68 1ub1A9 LYS 176 HG2 -0.00 -0.06 -0.06 -0.04 1.46 1.29 1ub1A9 LYS 176 HG3 -0.00 0.02 -0.21 -0.04 1.46 1.23 1ub1A9 LYS 176 HD2 -0.00 0.01 -0.06 -0.04 1.69 1.59 1ub1A9 LYS 176 HD3 -0.00 0.03 -0.05 -0.04 1.68 1.62 1ub1A9 LYS 176 HE2 0.00 -0.01 -0.07 -0.04 2.99 2.86 1ub1A9 LYS 176 HE3 -0.00 -0.02 -0.08 -0.04 2.99 2.85 1ub1A9 ALA 177 H -0.00 0.25 0.14 -0.55 8.40 8.24 1ub1A9 ALA 177 HA -0.00 0.02 0.43 -0.75 4.34 4.03 1ub1A9 ALA 177 HB3 -0.00 0.01 -0.05 -0.04 1.41 1.33 1ub1A9 LYS 178 H -0.00 0.33 0.24 -0.55 8.42 8.44 1ub1A9 LYS 178 HA -0.00 0.14 0.54 -0.75 4.32 4.24 1ub1A9 LYS 178 HB2 -0.00 -0.04 0.12 -0.04 1.87 1.91 1ub1A9 LYS 178 HB3 -0.00 0.10 -0.14 -0.04 1.79 1.71 1ub1A9 LYS 178 HG2 -0.00 -0.06 -0.12 -0.04 1.46 1.24 1ub1A9 LYS 178 HG3 -0.00 0.05 -0.21 -0.04 1.46 1.26 1ub1A9 LYS 178 HD2 -0.00 0.01 -0.04 -0.04 1.69 1.63 1ub1A9 LYS 178 HD3 -0.00 0.00 -0.05 -0.04 1.68 1.59 1ub1A9 LYS 178 HE2 -0.00 0.01 -0.06 -0.04 2.99 2.91 1ub1A9 LYS 178 HE3 -0.00 -0.04 -0.02 -0.04 2.99 2.90 1ub1A9 SER 179 H -0.00 0.12 -0.01 -0.55 8.46 8.02 1ub1A9 SER 179 HA -0.00 0.07 0.44 -0.75 4.49 4.25 1ub1A9 SER 179 HB2 -0.00 0.04 0.11 -0.04 3.95 4.06 1ub1A9 SER 179 HB3 -0.00 0.19 0.22 -0.04 3.93 4.29 1ub1A9 PRO 180 HA -0.00 0.11 0.57 -0.51 4.44 4.61 1ub1A9 PRO 180 HB2 -0.00 0.06 0.04 -0.04 2.28 2.34 1ub1A9 PRO 180 HB3 -0.00 0.02 0.13 -0.04 2.02 2.13 1ub1A9 PRO 180 HG2 -0.00 0.05 0.01 -0.04 2.03 2.06 1ub1A9 PRO 180 HG3 -0.00 0.03 0.05 -0.04 2.03 2.07 1ub1A9 PRO 180 HD2 -0.00 0.14 0.15 -0.04 3.68 3.93 1ub1A9 PRO 180 HD3 -0.00 0.05 0.11 -0.04 3.65 3.76 1ub1A9 LYS 181 H -0.00 0.29 0.24 -0.55 8.42 8.39 1ub1A9 LYS 181 HA -0.00 0.09 0.52 -0.75 4.32 4.18 1ub1A9 LYS 181 HB2 -0.00 0.14 -0.34 -0.04 1.87 1.63 1ub1A9 LYS 181 HB3 -0.00 -0.02 -0.04 -0.04 1.79 1.69 1ub1A9 LYS 181 HG2 -0.00 -0.05 0.00 -0.04 1.46 1.37 1ub1A9 LYS 181 HG3 -0.00 0.01 0.12 -0.04 1.46 1.55 1ub1A9 LYS 181 HD2 -0.00 0.05 -0.01 -0.04 1.69 1.69 1ub1A9 LYS 181 HD3 -0.00 -0.00 -0.03 -0.04 1.68 1.60 1ub1A9 LYS 181 HE2 -0.00 -0.02 -0.00 -0.04 2.99 2.93 1ub1A9 LYS 181 HE3 -0.00 0.00 -0.00 -0.04 2.99 2.95 1ub1A9 SER 182 H -0.00 0.14 -0.02 -0.55 8.46 8.04 1ub1A9 SER 182 HA -0.00 0.09 0.51 -0.75 4.49 4.33 1ub1A9 SER 182 HB2 -0.00 0.02 -0.29 -0.04 3.95 3.64 1ub1A9 SER 182 HB3 -0.00 -0.03 0.14 -0.04 3.93 4.00 1ub1A9 PRO 183 HA -0.00 0.12 0.54 -0.51 4.44 4.59 1ub1A9 PRO 183 HB2 -0.00 0.01 0.14 -0.04 2.28 2.39 1ub1A9 PRO 183 HB3 -0.00 0.03 0.14 -0.04 2.02 2.15 1ub1A9 PRO 183 HG2 -0.00 0.04 0.00 -0.04 2.03 2.03 1ub1A9 PRO 183 HG3 -0.00 0.04 0.04 -0.04 2.03 2.07 1ub1A9 PRO 183 HD2 -0.00 0.13 0.11 -0.04 3.68 3.88 1ub1A9 PRO 183 HD3 -0.00 0.07 0.06 -0.04 3.65 3.74 1ub1A9 GLY 184 H -0.00 0.27 0.23 -0.55 8.43 8.38 1ub1A9 GLY 184 HA2 -0.00 0.07 0.45 -0.51 4.01 4.02 1ub1A9 GLY 184 HA3 -0.00 0.08 0.35 -0.51 4.01 3.93 1ub1A9 SER 185 H -0.00 0.34 0.24 -0.55 8.46 8.49 1ub1A9 SER 185 HA -0.00 0.10 0.53 -0.75 4.49 4.37 1ub1A9 SER 185 HB2 -0.00 0.02 0.17 -0.04 3.95 4.10 1ub1A9 SER 185 HB3 -0.00 0.11 -0.14 -0.04 3.93 3.86 1ub1A9 GLY 186 H -0.00 0.28 0.23 -0.55 8.43 8.39 1ub1A9 GLY 186 HA2 -0.00 0.12 0.62 -0.51 4.01 4.24 1ub1A9 GLY 186 HA3 -0.00 0.06 0.35 -0.51 4.01 3.91 1ub1A9 ARG 187 H -0.00 0.21 0.20 -0.55 8.46 8.32 1ub1A9 ARG 187 HA -0.00 0.23 0.88 -0.75 4.34 4.70 1ub1A9 ARG 187 HB2 -0.00 -0.06 0.12 -0.04 1.90 1.92 1ub1A9 ARG 187 HB3 -0.00 0.05 -0.11 -0.04 1.80 1.70 1ub1A9 ARG 187 HG2 -0.00 0.00 -0.04 -0.04 1.67 1.59 1ub1A9 ARG 187 HG3 -0.00 0.01 -0.17 -0.04 1.67 1.47 1ub1A9 ARG 187 HD2 -0.00 0.01 -0.06 -0.04 3.22 3.12 1ub1A9 ARG 187 HD3 -0.00 -0.05 -0.11 -0.04 3.22 3.02 1ub1A9 GLY 188 H -0.00 0.21 0.07 -0.55 8.43 8.16 1ub1A9 GLY 188 HA2 -0.00 0.02 0.54 -0.51 4.01 4.07 1ub1A9 GLY 188 HA3 -0.00 0.09 0.36 -0.51 4.01 3.95 1ub1A9 ARG 189 H -0.00 0.11 0.08 -0.55 8.46 8.10 1ub1A9 ARG 189 HA -0.00 0.24 0.97 -0.75 4.34 4.80 1ub1A9 ARG 189 HB2 -0.00 -0.04 0.18 -0.04 1.90 2.00 1ub1A9 ARG 189 HB3 -0.00 -0.03 0.03 -0.04 1.80 1.76 1ub1A9 ARG 189 HG2 -0.00 -0.01 -0.08 -0.04 1.67 1.54 1ub1A9 ARG 189 HG3 -0.00 0.18 0.12 -0.04 1.67 1.94 1ub1A9 ARG 189 HD2 -0.00 -0.06 0.01 -0.04 3.22 3.12 1ub1A9 ARG 189 HD3 -0.00 0.01 0.01 -0.04 3.22 3.20 1ub1A9 GLY 190 H -0.00 0.12 0.08 -0.55 8.43 8.09 1ub1A9 GLY 190 HA2 -0.00 0.17 0.67 -0.51 4.01 4.35 1ub1A9 GLY 190 HA3 -0.00 0.02 0.37 -0.51 4.01 3.88 1ub1A9 ARG 191 H -0.00 0.29 0.21 -0.55 8.46 8.40 1ub1A9 ARG 191 HA -0.00 0.14 0.75 -0.75 4.34 4.47 1ub1A9 ARG 191 HB2 -0.00 0.08 0.07 -0.04 1.90 2.01 1ub1A9 ARG 191 HB3 -0.00 0.03 -0.05 -0.04 1.80 1.74 1ub1A9 ARG 191 HG2 -0.00 -0.02 0.10 -0.04 1.67 1.71 1ub1A9 ARG 191 HG3 -0.00 0.03 -0.02 -0.04 1.67 1.64 1ub1A9 ARG 191 HD2 -0.00 0.01 -0.29 -0.04 3.22 2.90 1ub1A9 ARG 191 HD3 -0.00 -0.02 -0.02 -0.04 3.22 3.14 1ub1A9 PRO 192 HA -0.00 0.12 0.53 -0.51 4.44 4.58 1ub1A9 PRO 192 HB2 -0.00 0.05 0.09 -0.04 2.28 2.37 1ub1A9 PRO 192 HB3 -0.00 0.03 0.12 -0.04 2.02 2.13 1ub1A9 PRO 192 HG2 -0.00 0.03 0.01 -0.04 2.03 2.03 1ub1A9 PRO 192 HG3 -0.00 0.04 0.06 -0.04 2.03 2.09 1ub1A9 PRO 192 HD2 -0.00 0.11 0.18 -0.04 3.68 3.93 1ub1A9 PRO 192 HD3 -0.00 0.13 0.20 -0.04 3.65 3.93 1ub1A9 LYS 193 H -0.00 0.32 0.21 -0.55 8.42 8.39 1ub1A9 LYS 193 HA -0.00 0.02 0.46 -0.75 4.32 4.05 1ub1A9 LYS 193 HB2 -0.00 -0.06 0.10 -0.04 1.87 1.88 1ub1A9 LYS 193 HB3 -0.00 0.21 -0.25 -0.04 1.79 1.71 1ub1A9 LYS 193 HG2 -0.00 -0.03 -0.03 -0.04 1.46 1.36 1ub1A9 LYS 193 HG3 -0.00 0.01 -0.23 -0.04 1.46 1.19 1ub1A9 LYS 193 HD2 -0.00 -0.02 -0.04 -0.04 1.69 1.59 1ub1A9 LYS 193 HD3 -0.00 -0.02 -0.04 -0.04 1.68 1.58 1ub1A9 LYS 193 HE2 -0.00 0.05 -0.07 -0.04 2.99 2.92 1ub1A9 LYS 193 HE3 -0.00 -0.02 -0.02 -0.04 2.99 2.91 1ub1A9 GLY 194 H -0.00 0.09 0.07 -0.55 8.43 8.04 1ub1A9 GLY 194 HA2 -0.00 -0.07 0.41 -0.51 4.01 3.84 1ub1A9 GLY 194 HA3 -0.00 0.17 0.53 -0.51 4.01 4.20 1ub1A9 SER 195 H -0.00 0.02 0.07 -0.55 8.46 8.00 1ub1A9 SER 195 HA -0.00 0.11 0.38 -0.75 4.49 4.23 1ub1A9 SER 195 HB2 -0.00 0.00 -0.03 -0.04 3.95 3.88 1ub1A9 SER 195 HB3 -0.00 0.23 0.14 -0.04 3.93 4.26 1ub1A9 GLY 196 H -0.00 0.16 0.05 -0.55 8.43 8.10 1ub1A9 GLY 196 HA2 -0.00 0.21 0.44 -0.51 4.01 4.15 1ub1A9 GLY 196 HA3 -0.00 0.12 0.16 -0.51 4.01 3.78