============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 12 1.000 -28.910 -21.402 -16.413 -99.200 -91.000 TYR 26 0.840 -19.082 -34.788 9.408 -99.200 -91.000 HIS 35 0.900 -14.610 -18.587 5.486 -99.200 -91.000 TYR 53 0.840 -27.083 -18.816 5.951 -99.200 -91.000 HIS 56 0.900 -32.193 -31.728 12.861 -99.200 -91.000 HIS 65 0.900 -19.475 -29.465 13.179 -99.200 -91.000 TYR 77 0.840 -24.850 -14.870 16.391 -99.200 -91.000 PHE 81 1.000 -34.649 -16.795 10.938 -99.200 -91.000 PHE 90 1.000 -37.145 -25.834 5.028 -99.200 -91.000 PHE 97 1.000 -26.962 -24.465 -2.000 -99.200 -91.000 TYR 118 0.840 -41.116 -43.935 13.998 -99.200 -91.000 PHE 133 1.000 -31.159 -33.727 -0.241 -99.200 -91.000 TYR 142 0.840 -23.368 -40.871 13.729 -99.200 -91.000 PHE 150 1.000 -30.060 -38.498 -0.852 -99.200 -91.000 PHE 151 1.000 -33.900 -43.229 -4.073 -99.200 -91.000 PHE 159 1.000 -24.608 -37.526 -7.376 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1nm5C1 SER 30 HA 0.10 -0.12 0.20 -0.75 4.49 3.92 1nm5C1 SER 30 HB2 -0.11 -0.04 0.01 -0.04 3.95 3.77 1nm5C1 SER 30 HB3 -0.04 -0.02 0.05 -0.04 3.93 3.88 1nm5C1 VAL 31 H 0.21 0.02 0.02 -0.55 8.24 7.94 1nm5C1 VAL 31 HA 0.14 0.07 0.36 -0.75 4.13 3.95 1nm5C1 VAL 31 HB 0.16 0.14 0.00 -0.04 2.12 2.39 1nm5C1 VAL 31 HG13 0.10 -0.01 -0.24 -0.04 0.97 0.78 1nm5C1 VAL 31 HG23 0.36 -0.04 -0.27 -0.04 0.95 0.97 1nm5C1 LYS 32 H 0.06 0.19 0.14 -0.55 8.42 8.26 1nm5C1 LYS 32 HA 0.05 0.14 0.87 -0.75 4.32 4.62 1nm5C1 LYS 32 HB2 0.04 -0.00 0.09 -0.04 1.87 1.96 1nm5C1 LYS 32 HB3 0.05 0.00 0.09 -0.04 1.79 1.89 1nm5C1 LYS 32 HG2 0.03 0.23 0.23 -0.04 1.46 1.92 1nm5C1 LYS 32 HG3 0.02 -0.12 -0.20 -0.04 1.46 1.12 1nm5C1 LYS 32 HD2 0.03 -0.03 -0.03 -0.04 1.69 1.62 1nm5C1 LYS 32 HD3 0.03 -0.06 -0.01 -0.04 1.68 1.60 1nm5C1 LYS 32 HE2 0.04 -0.07 0.06 -0.04 2.99 2.98 1nm5C1 LYS 32 HE3 0.04 0.19 0.10 -0.04 2.99 3.29 1nm5C1 ALA 33 H 0.04 0.20 0.20 -0.55 8.40 8.29 1nm5C1 ALA 33 HA -0.13 0.15 0.98 -0.75 4.34 4.59 1nm5C1 ALA 33 HB3 0.11 0.00 0.08 -0.04 1.41 1.56 1nm5C1 GLY 34 H -0.09 0.58 0.28 -0.55 8.43 8.66 1nm5C1 GLY 34 HA2 0.02 0.17 0.89 -0.51 4.01 4.57 1nm5C1 GLY 34 HA3 0.00 0.01 0.28 -0.51 4.01 3.79 1nm5C1 SER 35 H 0.02 0.08 0.17 -0.55 8.46 8.19 1nm5C1 SER 35 HA 0.02 0.25 0.77 -0.75 4.49 4.76 1nm5C1 SER 35 HB2 0.01 -0.03 0.14 -0.04 3.95 4.04 1nm5C1 SER 35 HB3 0.03 0.14 -0.00 -0.04 3.93 4.06 1nm5C1 ALA 36 H 0.00 0.21 0.11 -0.55 8.40 8.17 1nm5C1 ALA 36 HA 0.00 0.11 0.36 -0.75 4.34 4.05 1nm5C1 ALA 36 HB3 -0.02 0.04 -0.07 -0.04 1.41 1.32 1nm5C1 GLU 37 H -0.04 0.05 -0.22 -0.55 8.60 7.84 1nm5C1 GLU 37 HA -0.25 0.17 0.25 -0.75 4.29 3.71 1nm5C1 GLU 37 HB2 -0.04 -0.06 0.04 -0.04 2.09 1.99 1nm5C1 GLU 37 HB3 -0.19 0.10 0.01 -0.04 1.99 1.87 1nm5C1 GLU 37 HG2 -0.06 0.08 0.01 -0.04 2.34 2.33 1nm5C1 GLU 37 HG3 -0.11 0.06 -0.00 -0.04 2.34 2.24 1nm5C1 ASP 38 H -0.01 -0.01 -0.26 -0.55 8.40 7.58 1nm5C1 ASP 38 HA 0.18 0.12 0.51 -0.75 4.63 4.70 1nm5C1 ASP 38 HB2 0.04 0.04 0.13 -0.04 2.71 2.87 1nm5C1 ASP 38 HB3 0.07 0.10 -0.01 -0.04 2.70 2.82 1nm5C1 ALA 39 H -0.00 0.43 -0.17 -0.55 8.40 8.12 1nm5C1 ALA 39 HA 0.05 0.05 0.33 -0.75 4.34 4.02 1nm5C1 ALA 39 HB3 0.07 0.02 -0.03 -0.04 1.41 1.42 1nm5C1 ALA 40 H -0.12 0.25 -0.40 -0.55 8.40 7.57 1nm5C1 ALA 40 HA -0.10 0.06 0.44 -0.75 4.34 3.99 1nm5C1 ALA 40 HB3 -0.27 0.06 -0.02 -0.04 1.41 1.13 1nm5C1 PHE 41 H -0.17 0.35 -0.15 -0.55 8.34 7.81 1nm5C1 PHE 41 HA -0.01 0.08 0.39 -0.75 4.62 4.33 1nm5C1 PHE 41 HB2 0.00 0.08 0.15 -0.04 3.15 3.34 1nm5C1 PHE 41 HB3 -0.00 -0.01 -0.00 -0.04 3.06 3.00 1nm5C1 PHE 41 HD2 0.00 -0.02 0.02 -0.04 7.28 7.24 1nm5C1 PHE 41 HE2 0.00 -0.04 -0.04 -0.04 7.38 7.26 1nm5C1 PHE 41 HZ 0.00 -0.04 -0.01 -0.04 7.32 7.23 1nm5C1 ILE 42 H 0.11 0.32 -0.29 -0.55 8.25 7.84 1nm5C1 ILE 42 HA 0.07 0.07 0.26 -0.75 4.18 3.82 1nm5C1 ILE 42 HB 0.06 0.01 0.03 -0.04 1.89 1.95 1nm5C1 ILE 42 HG12 0.06 0.02 -0.06 -0.04 1.49 1.46 1nm5C1 ILE 42 HG13 0.10 0.01 -0.01 -0.04 1.21 1.27 1nm5C1 ILE 42 HG23 0.04 -0.01 -0.23 -0.04 0.93 0.69 1nm5C1 ILE 42 HD13 0.06 -0.03 -0.19 -0.04 0.88 0.68 1nm5C1 MET 43 H 0.01 0.33 -0.30 -0.55 8.47 7.96 1nm5C1 MET 43 HA -0.02 0.08 0.48 -0.75 4.52 4.30 1nm5C1 MET 43 HB2 -0.08 0.14 0.06 -0.04 2.15 2.23 1nm5C1 MET 43 HB3 -0.11 0.00 -0.06 -0.04 2.03 1.82 1nm5C1 MET 43 HG2 -0.06 -0.05 -0.09 -0.04 2.63 2.39 1nm5C1 MET 43 HG3 -0.00 -0.04 -0.17 -0.04 2.56 2.31 1nm5C1 MET 43 HE3 -0.51 -0.00 -0.12 -0.04 2.10 1.43 1nm5C1 LYS 44 H 0.01 0.43 -0.13 -0.55 8.42 8.17 1nm5C1 LYS 44 HA -0.01 0.09 0.60 -0.75 4.32 4.24 1nm5C1 LYS 44 HB2 0.06 0.10 0.16 -0.04 1.87 2.15 1nm5C1 LYS 44 HB3 0.04 -0.05 0.03 -0.04 1.79 1.77 1nm5C1 LYS 44 HG2 -0.03 -0.08 0.05 -0.04 1.46 1.35 1nm5C1 LYS 44 HG3 -0.03 -0.02 0.02 -0.04 1.46 1.40 1nm5C1 LYS 44 HD2 -0.00 -0.01 0.11 -0.04 1.69 1.74 1nm5C1 LYS 44 HD3 -0.02 0.03 0.07 -0.04 1.68 1.72 1nm5C1 LYS 44 HE2 -0.00 -0.02 0.06 -0.04 2.99 2.98 1nm5C1 LYS 44 HE3 0.03 -0.08 0.03 -0.04 2.99 2.93 1nm5C1 ASN 45 H 0.04 0.29 -0.44 -0.55 8.53 7.87 1nm5C1 ASN 45 HA 0.02 0.14 0.70 -0.75 4.76 4.87 1nm5C1 ASN 45 HB2 0.04 0.10 0.09 -0.04 2.88 3.07 1nm5C1 ASN 45 HB3 0.02 -0.09 0.17 -0.04 2.79 2.84 1nm5C1 ASN 45 HD21 0.11 -0.11 -0.01 -0.04 7.03 6.97 1nm5C1 ASN 45 HD22 0.13 0.62 0.14 -0.04 7.74 8.58 1nm5C1 ALA 46 H -0.00 0.36 -0.65 -0.55 8.40 7.57 1nm5C1 ALA 46 HA -0.00 0.08 0.89 -0.75 4.34 4.56 1nm5C1 ALA 46 HB3 -0.01 0.06 0.03 -0.04 1.41 1.45 1nm5C1 SER 47 H -0.01 0.08 0.19 -0.55 8.46 8.18 1nm5C1 SER 47 HA -0.01 0.22 0.73 -0.75 4.49 4.67 1nm5C1 SER 47 HB2 -0.01 -0.04 0.17 -0.04 3.95 4.02 1nm5C1 SER 47 HB3 -0.02 0.00 0.03 -0.04 3.93 3.91 1nm5C1 LYS 48 H -0.02 0.06 0.16 -0.55 8.42 8.07 1nm5C1 LYS 48 HA -0.04 0.30 0.97 -0.75 4.32 4.80 1nm5C1 LYS 48 HB2 -0.03 0.01 -0.01 -0.04 1.87 1.79 1nm5C1 LYS 48 HB3 -0.05 -0.18 0.21 -0.04 1.79 1.74 1nm5C1 LYS 48 HG2 -0.07 0.07 0.04 -0.04 1.46 1.46 1nm5C1 LYS 48 HG3 -0.05 0.00 0.00 -0.04 1.46 1.38 1nm5C1 LYS 48 HD2 -0.07 0.18 -0.22 -0.04 1.69 1.54 1nm5C1 LYS 48 HD3 -0.12 -0.09 -0.20 -0.04 1.68 1.23 1nm5C1 LYS 48 HE2 -0.07 0.00 -0.06 -0.04 2.99 2.82 1nm5C1 LYS 48 HE3 -0.10 0.03 -0.13 -0.04 2.99 2.75 1nm5C1 VAL 49 H -0.07 0.77 0.33 -0.55 8.24 8.73 1nm5C1 VAL 49 HA -0.05 0.21 0.92 -0.75 4.13 4.46 1nm5C1 VAL 49 HB -0.10 0.01 0.05 -0.04 2.12 2.05 1nm5C1 VAL 49 HG13 -0.08 -0.04 -0.19 -0.04 0.97 0.62 1nm5C1 VAL 49 HG23 -0.06 0.01 -0.24 -0.04 0.95 0.62 1nm5C1 ILE 50 H -0.07 0.53 0.24 -0.55 8.25 8.40 1nm5C1 ILE 50 HA -0.13 0.20 1.02 -0.75 4.18 4.51 1nm5C1 ILE 50 HB -0.25 -0.00 -0.08 -0.04 1.89 1.52 1nm5C1 ILE 50 HG12 -0.23 0.11 0.17 -0.04 1.49 1.50 1nm5C1 ILE 50 HG13 -0.49 -0.08 -0.03 -0.04 1.21 0.57 1nm5C1 ILE 50 HG23 -0.24 -0.01 -0.20 -0.04 0.93 0.44 1nm5C1 ILE 50 HD13 -1.11 0.01 -0.20 -0.04 0.88 -0.46 1nm5C1 ILE 51 H -0.20 0.60 0.25 -0.55 8.25 8.35 1nm5C1 ILE 51 HA 0.13 0.14 0.69 -0.75 4.18 4.38 1nm5C1 ILE 51 HB -0.55 0.08 0.21 -0.04 1.89 1.58 1nm5C1 ILE 51 HG12 0.01 -0.03 0.00 -0.04 1.49 1.43 1nm5C1 ILE 51 HG13 -0.16 -0.03 -0.04 -0.04 1.21 0.95 1nm5C1 ILE 51 HG23 0.13 -0.03 -0.07 -0.04 0.93 0.92 1nm5C1 ILE 51 HD13 -0.50 0.03 -0.06 -0.04 0.88 0.31 1nm5C1 VAL 52 H 0.06 0.45 0.19 -0.55 8.24 8.39 1nm5C1 VAL 52 HA 0.12 0.28 0.92 -0.75 4.13 4.70 1nm5C1 VAL 52 HB -0.00 -0.08 0.00 -0.04 2.12 2.00 1nm5C1 VAL 52 HG13 0.06 -0.02 -0.12 -0.04 0.97 0.85 1nm5C1 VAL 52 HG23 0.23 0.04 -0.37 -0.04 0.95 0.80 1nm5C1 PRO 53 HA 0.03 0.22 0.73 -0.51 4.44 4.91 1nm5C1 PRO 53 HB2 0.05 -0.04 -0.05 -0.04 2.28 2.21 1nm5C1 PRO 53 HB3 0.09 0.04 0.05 -0.04 2.02 2.16 1nm5C1 PRO 53 HG2 0.13 -0.01 -0.04 -0.04 2.03 2.07 1nm5C1 PRO 53 HG3 0.24 0.09 -0.05 -0.04 2.03 2.27 1nm5C1 PRO 53 HD2 0.13 0.14 0.17 -0.04 3.68 4.08 1nm5C1 PRO 53 HD3 0.18 0.20 -0.04 -0.04 3.65 3.94 1nm5C1 GLY 54 H 0.01 0.37 0.26 -0.55 8.43 8.53 1nm5C1 GLY 54 HA2 0.04 0.12 0.69 -0.51 4.01 4.35 1nm5C1 GLY 54 HA3 0.05 0.01 0.19 -0.51 4.01 3.75 1nm5C1 TYR 55 H 0.15 0.14 0.31 -0.55 8.29 8.34 1nm5C1 TYR 55 HA -0.15 0.03 0.39 -0.75 4.56 4.08 1nm5C1 TYR 55 HB2 -0.00 0.03 0.24 -0.04 3.06 3.29 1nm5C1 TYR 55 HB3 0.02 0.03 0.23 -0.04 2.98 3.21 1nm5C1 TYR 55 HD2 0.03 -0.06 0.03 -0.04 7.15 7.11 1nm5C1 TYR 55 HE2 0.10 0.06 -0.03 -0.04 6.85 6.95 1nm5C1 GLY 56 H 0.05 0.51 0.05 -0.55 8.43 8.50 1nm5C1 GLY 56 HA2 -0.18 0.07 0.47 -0.51 4.01 3.86 1nm5C1 GLY 56 HA3 -0.04 0.06 0.42 -0.51 4.01 3.95 1nm5C1 MET 57 H -0.04 0.27 -0.21 -0.55 8.47 7.95 1nm5C1 MET 57 HA -0.03 -0.01 0.45 -0.75 4.52 4.17 1nm5C1 MET 57 HB2 -0.01 0.10 0.08 -0.04 2.15 2.28 1nm5C1 MET 57 HB3 -0.03 0.13 0.07 -0.04 2.03 2.17 1nm5C1 MET 57 HG2 0.00 -0.21 -0.10 -0.04 2.63 2.28 1nm5C1 MET 57 HG3 0.04 0.09 -0.11 -0.04 2.56 2.54 1nm5C1 MET 57 HE3 0.06 0.03 -0.11 -0.04 2.10 2.04 1nm5C1 ALA 58 H -0.12 0.29 -0.11 -0.55 8.40 7.93 1nm5C1 ALA 58 HA -0.05 0.03 0.53 -0.75 4.34 4.09 1nm5C1 ALA 58 HB3 -0.17 0.03 0.08 -0.04 1.41 1.32 1nm5C1 VAL 59 H -0.27 0.53 0.01 -0.55 8.24 7.96 1nm5C1 VAL 59 HA -0.13 0.08 0.34 -0.75 4.13 3.67 1nm5C1 VAL 59 HB -0.25 -0.01 0.19 -0.04 2.12 2.00 1nm5C1 VAL 59 HG13 -0.12 0.01 -0.07 -0.04 0.97 0.74 1nm5C1 VAL 59 HG23 -0.92 0.05 -0.01 -0.04 0.95 0.03 1nm5C1 ALA 60 H -0.09 0.38 -0.09 -0.55 8.40 8.06 1nm5C1 ALA 60 HA -0.03 0.11 0.49 -0.75 4.34 4.16 1nm5C1 ALA 60 HB3 -0.02 -0.07 0.13 -0.04 1.41 1.40 1nm5C1 GLN 61 H -0.03 0.17 -0.68 -0.55 8.47 7.38 1nm5C1 GLN 61 HA -0.00 0.01 0.34 -0.75 4.36 3.96 1nm5C1 GLN 61 HB2 0.01 0.11 -0.27 -0.04 2.15 1.97 1nm5C1 GLN 61 HB3 0.03 0.06 0.17 -0.04 2.02 2.24 1nm5C1 GLN 61 HG2 0.05 0.01 0.05 -0.04 2.40 2.47 1nm5C1 GLN 61 HG3 0.05 -0.11 0.11 -0.04 2.39 2.40 1nm5C1 GLN 61 HE21 0.05 -0.01 0.02 -0.04 6.97 6.98 1nm5C1 GLN 61 HE22 0.05 -0.01 0.02 -0.04 7.69 7.71 1nm5C1 ALA 62 H -0.01 0.52 0.03 -0.55 8.40 8.40 1nm5C1 ALA 62 HA 0.04 0.19 0.40 -0.75 4.34 4.21 1nm5C1 ALA 62 HB3 0.03 -0.02 -0.14 -0.04 1.41 1.24 1nm5C1 GLN 63 H -0.05 0.24 -0.41 -0.55 8.47 7.70 1nm5C1 GLN 63 HA -0.02 0.03 0.15 -0.75 4.36 3.77 1nm5C1 GLN 63 HB2 -0.44 0.09 -0.16 -0.04 2.15 1.60 1nm5C1 GLN 63 HB3 -0.16 0.06 -0.15 -0.04 2.02 1.73 1nm5C1 GLN 63 HG2 -0.12 0.03 -0.16 -0.04 2.40 2.11 1nm5C1 GLN 63 HG3 -0.07 -0.12 -0.12 -0.04 2.39 2.04 1nm5C1 GLN 63 HE21 -0.09 0.06 -0.03 -0.04 6.97 6.88 1nm5C1 GLN 63 HE22 -0.51 0.09 -0.07 -0.04 7.69 7.16 1nm5C1 HIS 64 H -0.01 0.16 -0.19 -0.55 8.41 7.83 1nm5C1 HIS 64 HA 0.01 0.21 0.48 -0.75 4.63 4.58 1nm5C1 HIS 64 HB2 0.01 -0.03 0.08 -0.04 3.26 3.28 1nm5C1 HIS 64 HB3 0.00 0.07 -0.03 -0.04 3.20 3.21 1nm5C1 HIS 64 HD2 -0.01 0.10 0.03 -0.04 6.97 7.04 1nm5C1 HIS 64 HE1 0.00 -0.00 -0.06 -0.04 7.75 7.65 1nm5C1 ALA 65 H 0.10 0.08 -0.14 -0.55 8.40 7.90 1nm5C1 ALA 65 HA 0.05 0.14 0.50 -0.75 4.34 4.28 1nm5C1 ALA 65 HB3 0.05 0.02 0.03 -0.04 1.41 1.48 1nm5C1 LEU 66 H 0.06 0.33 -0.33 -0.55 8.37 7.89 1nm5C1 LEU 66 HA 0.08 0.04 0.29 -0.75 4.35 4.00 1nm5C1 LEU 66 HB2 0.11 0.01 0.03 -0.04 1.64 1.75 1nm5C1 LEU 66 HB3 0.10 0.13 0.08 -0.04 1.64 1.91 1nm5C1 LEU 66 HG 0.22 0.06 -0.26 -0.04 1.64 1.61 1nm5C1 LEU 66 HD13 0.25 -0.01 -0.02 -0.04 0.93 1.11 1nm5C1 LEU 66 HD23 0.21 -0.03 -0.09 -0.04 0.89 0.94 1nm5C1 ARG 67 H 0.07 0.43 -0.19 -0.55 8.46 8.22 1nm5C1 ARG 67 HA 0.15 0.02 0.41 -0.75 4.34 4.17 1nm5C1 ARG 67 HB2 0.03 -0.01 0.10 -0.04 1.90 1.98 1nm5C1 ARG 67 HB3 0.05 0.09 0.09 -0.04 1.80 2.00 1nm5C1 ARG 67 HG2 0.07 -0.11 0.04 -0.04 1.67 1.63 1nm5C1 ARG 67 HG3 -0.01 0.02 -0.19 -0.04 1.67 1.45 1nm5C1 ARG 67 HD2 0.03 -0.12 -0.12 -0.04 3.22 2.97 1nm5C1 ARG 67 HD3 0.01 0.12 -0.09 -0.04 3.22 3.22 1nm5C1 GLU 68 H 0.05 0.33 -0.35 -0.55 8.60 8.08 1nm5C1 GLU 68 HA 0.02 0.08 0.54 -0.75 4.29 4.17 1nm5C1 GLU 68 HB2 0.03 0.07 0.15 -0.04 2.09 2.29 1nm5C1 GLU 68 HB3 0.01 -0.02 -0.03 -0.04 1.99 1.91 1nm5C1 GLU 68 HG2 0.03 -0.01 0.02 -0.04 2.34 2.34 1nm5C1 GLU 68 HG3 0.04 0.08 0.03 -0.04 2.34 2.46 1nm5C1 MET 69 H 0.00 0.43 -0.22 -0.55 8.47 8.13 1nm5C1 MET 69 HA -0.06 0.06 0.39 -0.75 4.52 4.16 1nm5C1 MET 69 HB2 -0.07 0.01 0.06 -0.04 2.15 2.11 1nm5C1 MET 69 HB3 -0.11 0.12 0.09 -0.04 2.03 2.09 1nm5C1 MET 69 HG2 -0.22 0.01 -0.18 -0.04 2.63 2.20 1nm5C1 MET 69 HG3 -0.17 0.01 -0.09 -0.04 2.56 2.27 1nm5C1 MET 69 HE3 -0.72 -0.01 -0.11 -0.04 2.10 1.22 1nm5C1 ALA 70 H -0.01 0.35 -0.29 -0.55 8.40 7.90 1nm5C1 ALA 70 HA -0.09 0.06 0.37 -0.75 4.34 3.92 1nm5C1 ALA 70 HB3 0.01 0.03 0.04 -0.04 1.41 1.45 1nm5C1 ASP 71 H 0.01 0.37 -0.27 -0.55 8.40 7.95 1nm5C1 ASP 71 HA 0.00 0.10 0.61 -0.75 4.63 4.59 1nm5C1 ASP 71 HB2 0.01 -0.03 0.12 -0.04 2.71 2.77 1nm5C1 ASP 71 HB3 0.02 0.00 0.04 -0.04 2.70 2.72 1nm5C1 VAL 72 H -0.02 0.43 -0.17 -0.55 8.24 7.93 1nm5C1 VAL 72 HA -0.02 0.11 0.81 -0.75 4.13 4.28 1nm5C1 VAL 72 HB -0.03 0.07 0.05 -0.04 2.12 2.18 1nm5C1 VAL 72 HG13 -0.02 0.01 -0.00 -0.04 0.97 0.92 1nm5C1 VAL 72 HG23 -0.04 0.04 -0.01 -0.04 0.95 0.89 1nm5C1 LEU 73 H -0.05 0.28 -0.33 -0.55 8.37 7.72 1nm5C1 LEU 73 HA -0.05 0.12 0.58 -0.75 4.35 4.24 1nm5C1 LEU 73 HB2 -0.10 0.26 0.17 -0.04 1.64 1.93 1nm5C1 LEU 73 HB3 -0.08 0.03 -0.01 -0.04 1.64 1.55 1nm5C1 LEU 73 HG -0.08 0.03 -0.09 -0.04 1.64 1.46 1nm5C1 LEU 73 HD13 -0.09 0.00 -0.12 -0.04 0.93 0.67 1nm5C1 LEU 73 HD23 -0.18 -0.04 -0.13 -0.04 0.89 0.50 1nm5C1 LYS 74 H -0.03 0.39 -0.12 -0.55 8.42 8.11 1nm5C1 LYS 74 HA -0.02 0.23 0.57 -0.75 4.32 4.35 1nm5C1 LYS 74 HB2 -0.00 0.07 0.16 -0.04 1.87 2.05 1nm5C1 LYS 74 HB3 -0.01 -0.04 0.04 -0.04 1.79 1.74 1nm5C1 LYS 74 HG2 0.00 0.03 0.11 -0.04 1.46 1.55 1nm5C1 LYS 74 HG3 0.00 -0.01 -0.15 -0.04 1.46 1.26 1nm5C1 LYS 74 HD2 0.02 -0.05 -0.00 -0.04 1.69 1.61 1nm5C1 LYS 74 HD3 0.02 -0.01 0.03 -0.04 1.68 1.68 1nm5C1 LYS 74 HE2 0.05 -0.03 -0.10 -0.04 2.99 2.87 1nm5C1 LYS 74 HE3 0.03 -0.02 -0.16 -0.04 2.99 2.79 1nm5C1 LYS 75 H -0.01 0.16 -0.47 -0.55 8.42 7.54 1nm5C1 LYS 75 HA -0.01 0.04 0.64 -0.75 4.32 4.24 1nm5C1 LYS 75 HB2 -0.01 0.17 0.22 -0.04 1.87 2.21 1nm5C1 LYS 75 HB3 -0.01 0.12 0.10 -0.04 1.79 1.95 1nm5C1 LYS 75 HG2 -0.01 0.02 -0.10 -0.04 1.46 1.33 1nm5C1 LYS 75 HG3 -0.01 -0.06 0.09 -0.04 1.46 1.44 1nm5C1 LYS 75 HD2 -0.01 -0.00 0.04 -0.04 1.69 1.68 1nm5C1 LYS 75 HD3 -0.01 0.04 0.03 -0.04 1.68 1.70 1nm5C1 LYS 75 HE2 -0.00 -0.04 0.02 -0.04 2.99 2.93 1nm5C1 LYS 75 HE3 -0.01 -0.05 0.01 -0.04 2.99 2.90 1nm5C1 GLU 76 H -0.02 0.26 -0.46 -0.55 8.60 7.84 1nm5C1 GLU 76 HA -0.01 0.06 0.56 -0.75 4.29 4.14 1nm5C1 GLU 76 HB2 -0.02 0.22 0.18 -0.04 2.09 2.43 1nm5C1 GLU 76 HB3 -0.01 0.01 0.22 -0.04 1.99 2.16 1nm5C1 GLU 76 HG2 -0.01 0.02 0.05 -0.04 2.34 2.35 1nm5C1 GLU 76 HG3 -0.02 0.00 0.11 -0.04 2.34 2.40 1nm5C1 GLY 77 H -0.01 0.21 -0.90 -0.55 8.43 7.19 1nm5C1 GLY 77 HA2 -0.01 -0.00 0.25 -0.51 4.01 3.75 1nm5C1 GLY 77 HA3 -0.01 0.05 0.53 -0.51 4.01 4.07 1nm5C1 VAL 78 H -0.02 0.17 -0.24 -0.55 8.24 7.60 1nm5C1 VAL 78 HA -0.02 0.13 0.45 -0.75 4.13 3.94 1nm5C1 VAL 78 HB -0.04 -0.05 -0.21 -0.04 2.12 1.78 1nm5C1 VAL 78 HG13 -0.04 -0.02 -0.36 -0.04 0.97 0.51 1nm5C1 VAL 78 HG23 -0.03 0.08 0.04 -0.04 0.95 0.99 1nm5C1 GLU 79 H -0.03 0.55 0.30 -0.55 8.60 8.87 1nm5C1 GLU 79 HA -0.01 0.10 0.82 -0.75 4.29 4.45 1nm5C1 GLU 79 HB2 -0.02 0.19 0.29 -0.04 2.09 2.50 1nm5C1 GLU 79 HB3 -0.03 -0.11 0.06 -0.04 1.99 1.87 1nm5C1 GLU 79 HG2 0.00 -0.03 0.08 -0.04 2.34 2.35 1nm5C1 GLU 79 HG3 -0.01 0.07 0.04 -0.04 2.34 2.40 1nm5C1 VAL 80 H 0.00 0.22 0.18 -0.55 8.24 8.09 1nm5C1 VAL 80 HA -0.07 0.37 1.07 -0.75 4.13 4.74 1nm5C1 VAL 80 HB -0.01 -0.01 0.09 -0.04 2.12 2.15 1nm5C1 VAL 80 HG13 -0.17 -0.03 -0.14 -0.04 0.97 0.59 1nm5C1 VAL 80 HG23 -0.06 0.05 -0.31 -0.04 0.95 0.58 1nm5C1 SER 81 H -0.09 0.45 0.44 -0.55 8.46 8.71 1nm5C1 SER 81 HA 0.20 0.27 0.93 -0.75 4.49 5.14 1nm5C1 SER 81 HB2 -0.05 -0.10 0.00 -0.04 3.95 3.77 1nm5C1 SER 81 HB3 0.23 0.04 0.06 -0.04 3.93 4.22 1nm5C1 TYR 82 H 0.39 0.70 0.36 -0.55 8.29 9.19 1nm5C1 TYR 82 HA 0.07 0.19 0.89 -0.75 4.56 4.97 1nm5C1 TYR 82 HB2 0.04 -0.01 0.06 -0.04 3.06 3.11 1nm5C1 TYR 82 HB3 0.06 -0.08 -0.10 -0.04 2.98 2.82 1nm5C1 TYR 82 HD2 0.04 0.03 -0.17 -0.04 7.15 7.00 1nm5C1 TYR 82 HE2 0.02 0.00 -0.14 -0.04 6.85 6.69 1nm5C1 ALA 83 H 0.16 0.69 0.21 -0.55 8.40 8.90 1nm5C1 ALA 83 HA 0.20 0.21 0.85 -0.75 4.34 4.85 1nm5C1 ALA 83 HB3 0.19 -0.00 -0.05 -0.04 1.41 1.51 1nm5C1 ILE 84 H 0.15 0.68 0.20 -0.55 8.25 8.73 1nm5C1 ILE 84 HA 0.13 0.10 0.72 -0.75 4.18 4.38 1nm5C1 ILE 84 HB 0.08 0.01 0.04 -0.04 1.89 1.98 1nm5C1 ILE 84 HG12 0.12 0.13 -0.17 -0.04 1.49 1.53 1nm5C1 ILE 84 HG13 0.06 -0.01 -0.18 -0.04 1.21 1.04 1nm5C1 ILE 84 HG23 0.07 -0.01 -0.17 -0.04 0.93 0.79 1nm5C1 ILE 84 HD13 0.11 0.00 -0.30 -0.04 0.88 0.65 1nm5C1 HIS 85 H 0.19 0.18 0.19 -0.55 8.41 8.43 1nm5C1 HIS 85 HA 0.05 0.15 0.70 -0.75 4.63 4.78 1nm5C1 HIS 85 HB2 0.05 0.08 0.13 -0.04 3.26 3.48 1nm5C1 HIS 85 HB3 0.04 -0.14 0.12 -0.04 3.20 3.17 1nm5C1 HIS 85 HD2 0.01 -0.04 0.05 -0.04 6.97 6.94 1nm5C1 HIS 85 HE1 0.00 0.07 0.01 -0.04 7.75 7.79 1nm5C1 PRO 86 HA -0.00 0.05 0.45 -0.51 4.44 4.42 1nm5C1 PRO 86 HB2 -0.09 0.08 0.03 -0.04 2.28 2.26 1nm5C1 PRO 86 HB3 -0.05 0.06 0.13 -0.04 2.02 2.11 1nm5C1 PRO 86 HG2 -0.21 0.11 0.11 -0.04 2.03 2.00 1nm5C1 PRO 86 HG3 -0.11 -0.01 0.16 -0.04 2.03 2.03 1nm5C1 PRO 86 HD2 -1.15 0.17 0.22 -0.04 3.68 2.88 1nm5C1 PRO 86 HD3 -0.27 0.10 0.35 -0.04 3.65 3.79 1nm5C1 VAL 87 H 0.47 0.04 -0.42 -0.55 8.24 7.79 1nm5C1 VAL 87 HA 0.06 0.26 0.81 -0.75 4.13 4.51 1nm5C1 VAL 87 HB 0.02 0.02 0.11 -0.04 2.12 2.22 1nm5C1 VAL 87 HG13 0.04 0.01 -0.17 -0.04 0.97 0.81 1nm5C1 VAL 87 HG23 0.21 -0.01 -0.04 -0.04 0.95 1.06 1nm5C1 ALA 88 H 0.14 0.44 -0.16 -0.55 8.40 8.28 1nm5C1 ALA 88 HA 0.04 -0.04 0.68 -0.75 4.34 4.25 1nm5C1 ALA 88 HB3 0.09 -0.03 0.18 -0.04 1.41 1.60 1nm5C1 GLY 89 H 0.04 -0.07 0.28 -0.55 8.43 8.14 1nm5C1 GLY 89 HA2 0.09 -0.09 0.35 -0.51 4.01 3.85 1nm5C1 GLY 89 HA3 0.11 0.07 0.58 -0.51 4.01 4.26 1nm5C1 ARG 90 H 0.63 0.09 0.17 -0.55 8.46 8.79 1nm5C1 ARG 90 HA -0.16 0.24 0.77 -0.75 4.34 4.44 1nm5C1 ARG 90 HB2 -0.05 0.00 0.05 -0.04 1.90 1.86 1nm5C1 ARG 90 HB3 -0.16 0.07 0.19 -0.04 1.80 1.86 1nm5C1 ARG 90 HG2 -0.75 -0.21 -0.45 -0.04 1.67 0.21 1nm5C1 ARG 90 HG3 -0.68 0.02 -0.04 -0.04 1.67 0.94 1nm5C1 ARG 90 HD2 -0.33 0.05 0.06 -0.04 3.22 2.96 1nm5C1 ARG 90 HD3 -0.45 0.16 0.09 -0.04 3.22 2.98 1nm5C1 MET 91 H 0.09 0.12 0.15 -0.55 8.47 8.28 1nm5C1 MET 91 HA -0.05 0.18 0.38 -0.75 4.52 4.28 1nm5C1 MET 91 HB2 -0.07 0.15 0.10 -0.04 2.15 2.29 1nm5C1 MET 91 HB3 -0.11 0.09 0.09 -0.04 2.03 2.07 1nm5C1 MET 91 HG2 -0.49 -0.13 -0.14 -0.04 2.63 1.83 1nm5C1 MET 91 HG3 -0.18 -0.14 -0.14 -0.04 2.56 2.05 1nm5C1 MET 91 HE3 -0.08 -0.02 -0.24 -0.04 2.10 1.72 1nm5C1 PRO 92 HA 0.02 0.10 0.70 -0.51 4.44 4.75 1nm5C1 PRO 92 HB2 -0.01 0.03 0.01 -0.04 2.28 2.27 1nm5C1 PRO 92 HB3 -0.00 0.05 0.11 -0.04 2.02 2.13 1nm5C1 PRO 92 HG2 -0.01 0.06 0.08 -0.04 2.03 2.12 1nm5C1 PRO 92 HG3 -0.01 0.07 0.08 -0.04 2.03 2.14 1nm5C1 PRO 92 HD2 -0.03 0.12 0.22 -0.04 3.68 3.96 1nm5C1 PRO 92 HD3 -0.03 0.16 0.08 -0.04 3.65 3.82 1nm5C1 GLY 93 H 0.04 0.20 0.20 -0.55 8.43 8.31 1nm5C1 GLY 93 HA2 0.04 -0.02 0.31 -0.51 4.01 3.83 1nm5C1 GLY 93 HA3 0.03 0.16 0.38 -0.51 4.01 4.06 1nm5C1 HIS 94 H 0.14 0.34 -0.20 -0.55 8.41 8.15 1nm5C1 HIS 94 HA 0.02 0.15 0.32 -0.75 4.63 4.37 1nm5C1 HIS 94 HB2 0.02 0.23 0.17 -0.04 3.26 3.64 1nm5C1 HIS 94 HB3 0.04 -0.00 0.07 -0.04 3.20 3.27 1nm5C1 HIS 94 HD2 0.04 0.00 0.02 -0.04 6.97 6.99 1nm5C1 HIS 94 HE1 0.22 0.07 -0.00 -0.04 7.75 8.00 1nm5C1 MET 95 H 0.11 0.18 -0.08 -0.55 8.47 8.13 1nm5C1 MET 95 HA 0.01 0.04 0.31 -0.75 4.52 4.13 1nm5C1 MET 95 HB2 0.06 0.02 -0.01 -0.04 2.15 2.18 1nm5C1 MET 95 HB3 0.04 0.06 -0.08 -0.04 2.03 2.02 1nm5C1 MET 95 HG2 0.06 0.02 -0.06 -0.04 2.63 2.61 1nm5C1 MET 95 HG3 0.06 0.14 -0.12 -0.04 2.56 2.59 1nm5C1 MET 95 HE3 -0.03 0.02 -0.14 -0.04 2.10 1.91 1nm5C1 ASN 96 H 0.07 0.00 -0.53 -0.55 8.53 7.52 1nm5C1 ASN 96 HA 0.03 0.07 0.17 -0.75 4.76 4.28 1nm5C1 ASN 96 HB2 0.05 0.03 0.05 -0.04 2.88 2.97 1nm5C1 ASN 96 HB3 0.08 0.08 -0.06 -0.04 2.79 2.85 1nm5C1 ASN 96 HD21 0.03 0.03 -0.11 -0.04 7.03 6.94 1nm5C1 ASN 96 HD22 0.09 0.05 -0.07 -0.04 7.74 7.77 1nm5C1 VAL 97 H 0.06 0.52 -0.12 -0.55 8.24 8.16 1nm5C1 VAL 97 HA 0.03 0.06 0.37 -0.75 4.13 3.83 1nm5C1 VAL 97 HB 0.03 0.04 0.11 -0.04 2.12 2.27 1nm5C1 VAL 97 HG13 0.08 0.04 0.05 -0.04 0.97 1.10 1nm5C1 VAL 97 HG23 0.02 -0.01 -0.02 -0.04 0.95 0.91 1nm5C1 LEU 98 H 0.04 0.32 -0.31 -0.55 8.37 7.88 1nm5C1 LEU 98 HA -0.03 0.07 0.33 -0.75 4.35 3.96 1nm5C1 LEU 98 HB2 -0.00 0.06 0.09 -0.04 1.64 1.74 1nm5C1 LEU 98 HB3 -0.04 -0.09 -0.02 -0.04 1.64 1.45 1nm5C1 LEU 98 HG 0.14 0.17 0.05 -0.04 1.64 1.97 1nm5C1 LEU 98 HD13 0.02 -0.03 -0.03 -0.04 0.93 0.85 1nm5C1 LEU 98 HD23 0.05 0.00 -0.04 -0.04 0.89 0.86 1nm5C1 LEU 99 H -0.05 0.62 -0.01 -0.55 8.37 8.38 1nm5C1 LEU 99 HA -0.14 0.03 0.48 -0.75 4.35 3.97 1nm5C1 LEU 99 HB2 -0.12 0.10 -0.03 -0.04 1.64 1.54 1nm5C1 LEU 99 HB3 -0.28 0.01 -0.03 -0.04 1.64 1.29 1nm5C1 LEU 99 HG -0.05 0.17 0.02 -0.04 1.64 1.74 1nm5C1 LEU 99 HD13 -0.12 -0.02 -0.18 -0.04 0.93 0.57 1nm5C1 LEU 99 HD23 -0.08 -0.02 -0.08 -0.04 0.89 0.66 1nm5C1 ALA 100 H -0.07 0.40 -0.42 -0.55 8.40 7.77 1nm5C1 ALA 100 HA -0.19 0.11 0.51 -0.75 4.34 4.02 1nm5C1 ALA 100 HB3 -0.07 0.03 0.08 -0.04 1.41 1.42 1nm5C1 GLU 101 H -0.06 0.39 -0.09 -0.55 8.60 8.29 1nm5C1 GLU 101 HA -0.00 0.08 0.54 -0.75 4.29 4.15 1nm5C1 GLU 101 HB2 0.01 -0.02 0.10 -0.04 2.09 2.14 1nm5C1 GLU 101 HB3 -0.04 0.05 0.17 -0.04 1.99 2.13 1nm5C1 GLU 101 HG2 0.06 0.01 -0.30 -0.04 2.34 2.07 1nm5C1 GLU 101 HG3 0.11 -0.01 0.03 -0.04 2.34 2.43 1nm5C1 ALA 102 H -0.13 0.24 -0.43 -0.55 8.40 7.53 1nm5C1 ALA 102 HA 0.03 0.09 0.54 -0.75 4.34 4.25 1nm5C1 ALA 102 HB3 -0.24 -0.04 -0.06 -0.04 1.41 1.03 1nm5C1 ASN 103 H -0.06 0.23 -0.72 -0.55 8.53 7.43 1nm5C1 ASN 103 HA -0.09 0.07 0.20 -0.75 4.76 4.19 1nm5C1 ASN 103 HB2 -0.00 0.13 -0.02 -0.04 2.88 2.95 1nm5C1 ASN 103 HB3 -0.04 -0.06 0.11 -0.04 2.79 2.76 1nm5C1 ASN 103 HD21 0.04 -0.01 -0.09 -0.04 7.03 6.94 1nm5C1 ASN 103 HD22 0.07 0.03 -0.37 -0.04 7.74 7.43 1nm5C1 VAL 104 H -0.15 0.50 -0.09 -0.55 8.24 7.95 1nm5C1 VAL 104 HA -0.12 0.14 0.59 -0.75 4.13 3.99 1nm5C1 VAL 104 HB -0.29 -0.05 -0.05 -0.04 2.12 1.69 1nm5C1 VAL 104 HG13 -0.54 0.03 -0.18 -0.04 0.97 0.24 1nm5C1 VAL 104 HG23 -0.26 -0.02 -0.06 -0.04 0.95 0.58 1nm5C1 PRO 105 HA -0.14 0.06 0.47 -0.51 4.44 4.32 1nm5C1 PRO 105 HB2 -0.03 -0.10 -0.01 -0.04 2.28 2.11 1nm5C1 PRO 105 HB3 -0.03 0.02 0.10 -0.04 2.02 2.07 1nm5C1 PRO 105 HG2 -0.00 0.07 0.07 -0.04 2.03 2.13 1nm5C1 PRO 105 HG3 -0.03 0.10 0.09 -0.04 2.03 2.15 1nm5C1 PRO 105 HD2 -0.03 0.05 0.18 -0.04 3.68 3.83 1nm5C1 PRO 105 HD3 -0.05 0.33 0.30 -0.04 3.65 4.19 1nm5C1 TYR 106 H -0.07 0.16 0.17 -0.55 8.29 8.00 1nm5C1 TYR 106 HA -0.13 0.11 0.47 -0.75 4.56 4.26 1nm5C1 TYR 106 HB2 -0.07 -0.02 0.15 -0.04 3.06 3.08 1nm5C1 TYR 106 HB3 -0.09 0.03 0.02 -0.04 2.98 2.91 1nm5C1 TYR 106 HD2 -0.07 -0.00 0.02 -0.04 7.15 7.06 1nm5C1 TYR 106 HE2 -0.04 -0.02 -0.02 -0.04 6.85 6.72 1nm5C1 ASP 107 H 0.01 0.06 -0.18 -0.55 8.40 7.74 1nm5C1 ASP 107 HA -0.11 0.13 0.38 -0.75 4.63 4.27 1nm5C1 ASP 107 HB2 0.01 0.05 0.11 -0.04 2.71 2.84 1nm5C1 ASP 107 HB3 0.00 -0.03 0.07 -0.04 2.70 2.70 1nm5C1 GLU 108 H -0.08 0.28 -0.64 -0.55 8.60 7.62 1nm5C1 GLU 108 HA 0.06 0.22 0.87 -0.75 4.29 4.68 1nm5C1 GLU 108 HB2 0.03 0.10 0.02 -0.04 2.09 2.19 1nm5C1 GLU 108 HB3 0.30 -0.10 0.02 -0.04 1.99 2.17 1nm5C1 GLU 108 HG2 0.15 0.25 0.12 -0.04 2.34 2.82 1nm5C1 GLU 108 HG3 0.08 -0.06 -0.10 -0.04 2.34 2.22 1nm5C1 VAL 109 H -0.29 0.44 -0.19 -0.55 8.24 7.65 1nm5C1 VAL 109 HA 0.02 0.11 0.74 -0.75 4.13 4.24 1nm5C1 VAL 109 HB -0.06 0.03 0.09 -0.04 2.12 2.14 1nm5C1 VAL 109 HG13 -0.00 -0.04 -0.18 -0.04 0.97 0.71 1nm5C1 VAL 109 HG23 -0.16 0.03 -0.13 -0.04 0.95 0.65 1nm5C1 PHE 110 H 0.18 0.56 0.33 -0.55 8.34 8.86 1nm5C1 PHE 110 HA 0.03 0.15 0.92 -0.75 4.62 4.96 1nm5C1 PHE 110 HB2 0.04 0.07 0.07 -0.04 3.15 3.28 1nm5C1 PHE 110 HB3 0.02 -0.03 -0.10 -0.04 3.06 2.91 1nm5C1 PHE 110 HD2 0.03 -0.03 -0.06 -0.04 7.28 7.17 1nm5C1 PHE 110 HE2 0.02 0.00 -0.04 -0.04 7.38 7.32 1nm5C1 PHE 110 HZ 0.02 0.04 -0.02 -0.04 7.32 7.32 1nm5C1 GLU 111 H 0.15 0.15 0.16 -0.55 8.60 8.52 1nm5C1 GLU 111 HA 0.07 0.22 0.68 -0.75 4.29 4.50 1nm5C1 GLU 111 HB2 0.02 -0.12 0.05 -0.04 2.09 2.01 1nm5C1 GLU 111 HB3 0.02 0.06 0.12 -0.04 1.99 2.15 1nm5C1 GLU 111 HG2 0.04 0.09 0.09 -0.04 2.34 2.52 1nm5C1 GLU 111 HG3 0.08 -0.05 0.12 -0.04 2.34 2.44 1nm5C1 LEU 112 H 0.01 0.28 0.22 -0.55 8.37 8.33 1nm5C1 LEU 112 HA 0.09 0.05 0.23 -0.75 4.35 3.97 1nm5C1 LEU 112 HB2 -0.10 0.03 0.13 -0.04 1.64 1.66 1nm5C1 LEU 112 HB3 -0.08 -0.04 0.16 -0.04 1.64 1.64 1nm5C1 LEU 112 HG 0.03 -0.03 -0.13 -0.04 1.64 1.47 1nm5C1 LEU 112 HD13 -0.14 0.01 -0.26 -0.04 0.93 0.50 1nm5C1 LEU 112 HD23 -0.02 0.02 -0.33 -0.04 0.89 0.52 1nm5C1 GLU 113 H 0.01 0.08 -0.15 -0.55 8.60 7.99 1nm5C1 GLU 113 HA 0.01 0.10 0.29 -0.75 4.29 3.94 1nm5C1 GLU 113 HB2 0.01 -0.02 0.04 -0.04 2.09 2.07 1nm5C1 GLU 113 HB3 0.01 0.07 0.03 -0.04 1.99 2.06 1nm5C1 GLU 113 HG2 -0.01 0.06 0.03 -0.04 2.34 2.39 1nm5C1 GLU 113 HG3 -0.02 -0.09 0.04 -0.04 2.34 2.23 1nm5C1 GLU 114 H 0.05 0.26 -0.30 -0.55 8.60 8.07 1nm5C1 GLU 114 HA 0.01 0.24 0.98 -0.75 4.29 4.77 1nm5C1 GLU 114 HB2 0.03 0.05 0.15 -0.04 2.09 2.28 1nm5C1 GLU 114 HB3 0.05 -0.05 0.00 -0.04 1.99 1.95 1nm5C1 GLU 114 HG2 0.14 -0.14 0.06 -0.04 2.34 2.36 1nm5C1 GLU 114 HG3 0.16 0.08 -0.19 -0.04 2.34 2.35 1nm5C1 ILE 115 H 0.05 0.31 -0.14 -0.55 8.25 7.92 1nm5C1 ILE 115 HA -0.13 0.21 0.88 -0.75 4.18 4.39 1nm5C1 ILE 115 HB 0.04 -0.00 -0.22 -0.04 1.89 1.66 1nm5C1 ILE 115 HG12 -0.25 -0.07 0.07 -0.04 1.49 1.20 1nm5C1 ILE 115 HG13 -0.39 0.07 -0.07 -0.04 1.21 0.78 1nm5C1 ILE 115 HG23 0.14 0.01 -0.28 -0.04 0.93 0.76 1nm5C1 ILE 115 HD13 -0.12 0.01 -0.20 -0.04 0.88 0.53 1nm5C1 ASN 116 H 0.07 0.32 0.05 -0.55 8.53 8.42 1nm5C1 ASN 116 HA 0.37 0.01 0.36 -0.75 4.76 4.74 1nm5C1 ASN 116 HB2 0.07 0.17 0.16 -0.04 2.88 3.23 1nm5C1 ASN 116 HB3 0.07 0.04 -0.03 -0.04 2.79 2.83 1nm5C1 ASN 116 HD21 0.01 0.56 0.23 -0.04 7.03 7.79 1nm5C1 ASN 116 HD22 0.02 -0.01 0.02 -0.04 7.74 7.73 1nm5C1 SER 117 H 0.04 0.12 -0.31 -0.55 8.46 7.76 1nm5C1 SER 117 HA 0.06 0.15 0.65 -0.75 4.49 4.59 1nm5C1 SER 117 HB2 0.01 0.04 0.06 -0.04 3.95 4.02 1nm5C1 SER 117 HB3 0.02 0.00 0.02 -0.04 3.93 3.92 1nm5C1 SER 118 H -0.03 0.24 -0.39 -0.55 8.46 7.73 1nm5C1 SER 118 HA -0.07 0.09 0.38 -0.75 4.49 4.13 1nm5C1 SER 118 HB2 -0.24 0.18 0.02 -0.04 3.95 3.87 1nm5C1 SER 118 HB3 -0.21 0.00 -0.08 -0.04 3.93 3.60 1nm5C1 PHE 119 H 0.17 0.20 -0.47 -0.55 8.34 7.68 1nm5C1 PHE 119 HA -0.02 0.03 0.23 -0.75 4.62 4.11 1nm5C1 PHE 119 HB2 -0.01 0.10 0.02 -0.04 3.15 3.22 1nm5C1 PHE 119 HB3 -0.01 0.05 -0.17 -0.04 3.06 2.89 1nm5C1 PHE 119 HD2 -0.01 0.08 -0.03 -0.04 7.28 7.27 1nm5C1 PHE 119 HE2 -0.00 -0.03 -0.15 -0.04 7.38 7.16 1nm5C1 PHE 119 HZ 0.01 -0.02 -0.18 -0.04 7.32 7.09 1nm5C1 GLN 120 H 0.11 0.14 -0.32 -0.55 8.47 7.86 1nm5C1 GLN 120 HA 0.06 0.16 0.36 -0.75 4.36 4.18 1nm5C1 GLN 120 HB2 0.03 0.11 0.04 -0.04 2.15 2.29 1nm5C1 GLN 120 HB3 0.02 -0.01 -0.09 -0.04 2.02 1.90 1nm5C1 GLN 120 HG2 0.03 -0.00 0.04 -0.04 2.40 2.43 1nm5C1 GLN 120 HG3 0.05 -0.06 0.06 -0.04 2.39 2.39 1nm5C1 GLN 120 HE21 0.01 -0.04 0.00 -0.04 6.97 6.90 1nm5C1 GLN 120 HE22 0.01 0.00 0.00 -0.04 7.69 7.67 1nm5C1 THR 121 H -0.00 0.25 -0.51 -0.55 8.28 7.47 1nm5C1 THR 121 HA -0.00 0.16 0.61 -0.75 4.39 4.41 1nm5C1 THR 121 HB -0.02 -0.04 0.12 -0.04 4.32 4.35 1nm5C1 THR 121 HG23 -0.01 -0.01 -0.08 -0.04 1.22 1.08 1nm5C1 ALA 122 H 0.01 0.58 -0.38 -0.55 8.40 8.07 1nm5C1 ALA 122 HA -0.04 0.06 0.80 -0.75 4.34 4.40 1nm5C1 ALA 122 HB3 -0.07 0.03 -0.07 -0.04 1.41 1.26 1nm5C1 ASP 123 H -0.02 0.27 0.30 -0.55 8.40 8.41 1nm5C1 ASP 123 HA 0.01 0.07 0.59 -0.75 4.63 4.55 1nm5C1 ASP 123 HB2 -0.00 0.09 0.27 -0.04 2.71 3.02 1nm5C1 ASP 123 HB3 0.01 0.07 0.14 -0.04 2.70 2.87 1nm5C1 VAL 124 H -0.00 0.34 0.19 -0.55 8.24 8.22 1nm5C1 VAL 124 HA 0.04 0.41 0.95 -0.75 4.13 4.78 1nm5C1 VAL 124 HB 0.01 -0.07 0.06 -0.04 2.12 2.08 1nm5C1 VAL 124 HG13 0.08 -0.03 -0.25 -0.04 0.97 0.73 1nm5C1 VAL 124 HG23 0.02 0.01 -0.28 -0.04 0.95 0.65 1nm5C1 ALA 125 H 0.06 0.63 0.22 -0.55 8.40 8.76 1nm5C1 ALA 125 HA 0.10 0.25 0.84 -0.75 4.34 4.77 1nm5C1 ALA 125 HB3 0.18 -0.01 0.11 -0.04 1.41 1.65 1nm5C1 PHE 126 H 0.15 0.37 -0.10 -0.55 8.34 8.20 1nm5C1 PHE 126 HA -0.07 0.12 0.69 -0.75 4.62 4.60 1nm5C1 PHE 126 HB2 -0.06 0.06 -0.04 -0.04 3.15 3.07 1nm5C1 PHE 126 HB3 -0.08 -0.07 0.11 -0.04 3.06 2.98 1nm5C1 PHE 126 HD2 -0.05 -0.04 -0.05 -0.04 7.28 7.10 1nm5C1 PHE 126 HE2 -0.03 -0.03 -0.13 -0.04 7.38 7.16 1nm5C1 PHE 126 HZ -0.02 -0.05 -0.14 -0.04 7.32 7.08 1nm5C1 VAL 127 H -0.35 0.68 0.34 -0.55 8.24 8.35 1nm5C1 VAL 127 HA -0.20 0.14 0.77 -0.75 4.13 4.08 1nm5C1 VAL 127 HB -0.76 0.01 0.19 -0.04 2.12 1.52 1nm5C1 VAL 127 HG13 -0.18 -0.05 -0.13 -0.04 0.97 0.58 1nm5C1 VAL 127 HG23 -0.47 0.06 -0.12 -0.04 0.95 0.38 1nm5C1 ILE 128 H -0.16 0.53 0.24 -0.55 8.25 8.31 1nm5C1 ILE 128 HA -0.24 0.13 0.97 -0.75 4.18 4.28 1nm5C1 ILE 128 HB -0.43 0.13 -0.10 -0.04 1.89 1.44 1nm5C1 ILE 128 HG12 -0.02 -0.18 -0.19 -0.04 1.49 1.06 1nm5C1 ILE 128 HG13 -0.06 -0.01 -0.06 -0.04 1.21 1.04 1nm5C1 ILE 128 HG23 0.01 -0.00 0.02 -0.04 0.93 0.92 1nm5C1 ILE 128 HD13 0.09 0.02 -0.08 -0.04 0.88 0.87 1nm5C1 GLY 129 H -0.03 0.63 0.28 -0.55 8.43 8.76 1nm5C1 GLY 129 HA2 0.02 0.18 0.42 -0.51 4.01 4.12 1nm5C1 GLY 129 HA3 -0.01 -0.25 0.39 -0.51 4.01 3.63 1nm5C1 ALA 130 H 0.03 0.20 -0.49 -0.55 8.40 7.59 1nm5C1 ALA 130 HA 0.08 -0.05 0.91 -0.75 4.34 4.52 1nm5C1 ALA 130 HB3 0.04 0.04 -0.16 -0.04 1.41 1.29 1nm5C1 ASN 131 H 0.08 -0.09 0.08 -0.55 8.53 8.05 1nm5C1 ASN 131 HA 0.24 0.24 0.43 -0.75 4.76 4.92 1nm5C1 ASN 131 HB2 0.18 0.23 -0.21 -0.04 2.88 3.04 1nm5C1 ASN 131 HB3 0.11 -0.22 0.10 -0.04 2.79 2.74 1nm5C1 ASN 131 HD21 0.21 0.11 -0.05 -0.04 7.03 7.25 1nm5C1 ASN 131 HD22 0.17 0.10 -0.24 -0.04 7.74 7.73 1nm5C1 ASP 132 H 0.04 0.13 0.23 -0.55 8.40 8.25 1nm5C1 ASP 132 HA -0.03 0.11 0.42 -0.75 4.63 4.37 1nm5C1 ASP 132 HB2 -0.01 -0.03 0.21 -0.04 2.71 2.83 1nm5C1 ASP 132 HB3 -0.03 0.20 0.05 -0.04 2.70 2.88 1nm5C1 VAL 133 H -0.07 -0.14 -0.23 -0.55 8.24 7.25 1nm5C1 VAL 133 HA -0.51 0.19 0.34 -0.75 4.13 3.40 1nm5C1 VAL 133 HB -0.07 -0.19 0.07 -0.04 2.12 1.90 1nm5C1 VAL 133 HG13 -0.01 0.04 -0.05 -0.04 0.97 0.91 1nm5C1 VAL 133 HG23 -0.38 0.00 0.01 -0.04 0.95 0.55 1nm5C1 THR 134 H -0.03 0.31 -0.55 -0.55 8.28 7.46 1nm5C1 THR 134 HA -0.05 0.26 0.93 -0.75 4.39 4.77 1nm5C1 THR 134 HB 0.03 -0.01 0.01 -0.04 4.32 4.31 1nm5C1 THR 134 HG23 -0.03 -0.04 -0.24 -0.04 1.22 0.87 1nm5C1 ASN 135 H -0.05 0.19 0.02 -0.55 8.53 8.14 1nm5C1 ASN 135 HA -0.11 0.01 0.33 -0.75 4.76 4.24 1nm5C1 ASN 135 HB2 -0.12 0.00 0.08 -0.04 2.88 2.80 1nm5C1 ASN 135 HB3 -0.06 0.09 0.20 -0.04 2.79 2.98 1nm5C1 ASN 135 HD21 -0.10 0.34 0.01 -0.04 7.03 7.24 1nm5C1 ASN 135 HD22 -0.10 -0.07 -0.15 -0.04 7.74 7.38 1nm5C1 PRO 136 HA -0.01 0.17 0.53 -0.51 4.44 4.62 1nm5C1 PRO 136 HB2 -0.01 0.03 0.15 -0.04 2.28 2.40 1nm5C1 PRO 136 HB3 -0.03 0.12 0.11 -0.04 2.02 2.18 1nm5C1 PRO 136 HG2 -0.04 0.01 0.02 -0.04 2.03 1.98 1nm5C1 PRO 136 HG3 -0.04 0.10 0.07 -0.04 2.03 2.13 1nm5C1 PRO 136 HD2 -0.10 -0.10 0.20 -0.04 3.68 3.65 1nm5C1 PRO 136 HD3 -0.07 0.26 0.25 -0.04 3.65 4.05 1nm5C1 ALA 137 H -0.03 0.09 -0.43 -0.55 8.40 7.48 1nm5C1 ALA 137 HA 0.01 -0.04 0.70 -0.75 4.34 4.25 1nm5C1 ALA 137 HB3 -0.02 0.03 0.06 -0.04 1.41 1.44 1nm5C1 ALA 138 H 0.02 0.30 -0.28 -0.55 8.40 7.90 1nm5C1 ALA 138 HA 0.14 0.08 0.32 -0.75 4.34 4.12 1nm5C1 ALA 138 HB3 0.03 0.05 -0.01 -0.04 1.41 1.44 1nm5C1 LYS 139 H 0.06 0.08 -0.34 -0.55 8.42 7.65 1nm5C1 LYS 139 HA 0.08 0.18 0.71 -0.75 4.32 4.54 1nm5C1 LYS 139 HB2 0.03 0.03 0.13 -0.04 1.87 2.01 1nm5C1 LYS 139 HB3 0.04 0.01 -0.04 -0.04 1.79 1.76 1nm5C1 LYS 139 HG2 0.02 0.04 -0.01 -0.04 1.46 1.47 1nm5C1 LYS 139 HG3 0.02 -0.01 -0.12 -0.04 1.46 1.30 1nm5C1 LYS 139 HD2 0.00 -0.03 -0.01 -0.04 1.69 1.62 1nm5C1 LYS 139 HD3 0.01 0.01 -0.02 -0.04 1.68 1.64 1nm5C1 LYS 139 HE2 -0.00 0.01 -0.04 -0.04 2.99 2.92 1nm5C1 LYS 139 HE3 -0.01 -0.03 -0.10 -0.04 2.99 2.81 1nm5C1 THR 140 H 0.07 0.13 -0.04 -0.55 8.28 7.89 1nm5C1 THR 140 HA 0.05 0.18 0.52 -0.75 4.39 4.38 1nm5C1 THR 140 HB 0.00 -0.17 0.22 -0.04 4.32 4.32 1nm5C1 THR 140 HG23 -0.01 -0.00 -0.07 -0.04 1.22 1.10 1nm5C1 ASP 141 H -0.02 -0.03 0.15 -0.55 8.40 7.96 1nm5C1 ASP 141 HA -0.12 0.11 0.23 -0.75 4.63 4.09 1nm5C1 ASP 141 HB2 -0.05 -0.01 0.26 -0.04 2.71 2.86 1nm5C1 ASP 141 HB3 -0.07 -0.01 0.08 -0.04 2.70 2.65 1nm5C1 PRO 142 HA -1.99 0.13 0.25 -0.51 4.44 2.32 1nm5C1 PRO 142 HB2 -0.29 -0.01 0.03 -0.04 2.28 1.97 1nm5C1 PRO 142 HB3 -0.64 0.05 0.11 -0.04 2.02 1.50 1nm5C1 PRO 142 HG2 -0.15 -0.03 0.09 -0.04 2.03 1.90 1nm5C1 PRO 142 HG3 -0.24 0.23 0.17 -0.04 2.03 2.16 1nm5C1 PRO 142 HD2 -0.18 0.00 0.15 -0.04 3.68 3.62 1nm5C1 PRO 142 HD3 -0.16 0.13 0.24 -0.04 3.65 3.82 1nm5C1 SER 143 H -0.19 0.02 -0.36 -0.55 8.46 7.39 1nm5C1 SER 143 HA -0.07 0.22 0.81 -0.75 4.49 4.70 1nm5C1 SER 143 HB2 -0.04 0.02 0.11 -0.04 3.95 4.00 1nm5C1 SER 143 HB3 -0.07 -0.04 0.03 -0.04 3.93 3.81 1nm5C1 SER 144 H -0.12 0.41 -0.10 -0.55 8.46 8.10 1nm5C1 SER 144 HA -0.01 0.08 0.32 -0.75 4.49 4.13 1nm5C1 SER 144 HB2 -0.03 -0.03 0.13 -0.04 3.95 3.98 1nm5C1 SER 144 HB3 0.04 0.16 0.06 -0.04 3.93 4.16 1nm5C1 PRO 145 HA 0.04 0.17 0.58 -0.51 4.44 4.73 1nm5C1 PRO 145 HB2 0.03 -0.06 0.01 -0.04 2.28 2.22 1nm5C1 PRO 145 HB3 0.02 0.05 0.13 -0.04 2.02 2.19 1nm5C1 PRO 145 HG2 0.01 0.10 0.08 -0.04 2.03 2.18 1nm5C1 PRO 145 HG3 0.01 0.09 0.11 -0.04 2.03 2.19 1nm5C1 PRO 145 HD2 0.01 -0.03 0.18 -0.04 3.68 3.81 1nm5C1 PRO 145 HD3 0.00 0.20 0.21 -0.04 3.65 4.03 1nm5C1 ILE 146 H 0.05 0.03 -0.30 -0.55 8.25 7.48 1nm5C1 ILE 146 HA 0.05 0.19 0.60 -0.75 4.18 4.27 1nm5C1 ILE 146 HB 0.03 -0.10 -0.02 -0.04 1.89 1.77 1nm5C1 ILE 146 HG12 0.02 0.06 0.06 -0.04 1.49 1.59 1nm5C1 ILE 146 HG13 0.03 0.06 0.06 -0.04 1.21 1.31 1nm5C1 ILE 146 HG23 0.03 -0.01 -0.28 -0.04 0.93 0.63 1nm5C1 ILE 146 HD13 -0.01 -0.04 0.04 -0.04 0.88 0.83 1nm5C1 TYR 147 H 0.17 0.32 -0.55 -0.55 8.29 7.67 1nm5C1 TYR 147 HA 0.00 0.05 0.33 -0.75 4.56 4.19 1nm5C1 TYR 147 HB2 0.00 -0.02 0.04 -0.04 3.06 3.04 1nm5C1 TYR 147 HB3 0.00 0.05 -0.01 -0.04 2.98 2.98 1nm5C1 TYR 147 HD2 0.00 0.03 -0.19 -0.04 7.15 6.94 1nm5C1 TYR 147 HE2 0.00 0.07 -0.18 -0.04 6.85 6.70 1nm5C1 GLY 148 H -0.32 0.54 0.20 -0.55 8.43 8.31 1nm5C1 GLY 148 HA2 -0.37 -0.00 0.34 -0.51 4.01 3.47 1nm5C1 GLY 148 HA3 -0.26 0.08 0.58 -0.51 4.01 3.90 1nm5C1 MET 149 H -0.02 0.30 -0.47 -0.55 8.47 7.73 1nm5C1 MET 149 HA 0.01 0.02 0.37 -0.75 4.52 4.16 1nm5C1 MET 149 HB2 0.03 0.02 0.01 -0.04 2.15 2.17 1nm5C1 MET 149 HB3 0.03 -0.02 0.02 -0.04 2.03 2.02 1nm5C1 MET 149 HG2 0.14 0.29 -0.09 -0.04 2.63 2.92 1nm5C1 MET 149 HG3 0.08 -0.05 0.04 -0.04 2.56 2.59 1nm5C1 MET 149 HE3 -0.10 -0.03 -0.13 -0.04 2.10 1.79 1nm5C1 PRO 150 HA 0.02 0.10 0.62 -0.51 4.44 4.66 1nm5C1 PRO 150 HB2 -0.01 -0.04 -0.01 -0.04 2.28 2.17 1nm5C1 PRO 150 HB3 -0.01 0.06 0.11 -0.04 2.02 2.14 1nm5C1 PRO 150 HG2 -0.02 -0.08 0.10 -0.04 2.03 1.99 1nm5C1 PRO 150 HG3 -0.03 0.02 0.09 -0.04 2.03 2.07 1nm5C1 PRO 150 HD2 0.04 0.01 0.24 -0.04 3.68 3.93 1nm5C1 PRO 150 HD3 -0.00 0.24 0.20 -0.04 3.65 4.04 1nm5C1 ILE 151 H 0.05 0.20 0.11 -0.55 8.25 8.05 1nm5C1 ILE 151 HA 0.28 0.13 0.80 -0.75 4.18 4.64 1nm5C1 ILE 151 HB -0.00 0.07 -0.14 -0.04 1.89 1.77 1nm5C1 ILE 151 HG12 0.01 0.03 -0.17 -0.04 1.49 1.32 1nm5C1 ILE 151 HG13 0.00 -0.06 -0.15 -0.04 1.21 0.95 1nm5C1 ILE 151 HG23 0.01 0.05 -0.37 -0.04 0.93 0.58 1nm5C1 ILE 151 HD13 -0.03 0.04 -0.34 -0.04 0.88 0.50 1nm5C1 LEU 152 H 0.10 0.52 0.27 -0.55 8.37 8.71 1nm5C1 LEU 152 HA -0.01 0.07 0.66 -0.75 4.35 4.31 1nm5C1 LEU 152 HB2 -0.03 0.03 0.10 -0.04 1.64 1.70 1nm5C1 LEU 152 HB3 -0.18 0.02 -0.08 -0.04 1.64 1.36 1nm5C1 LEU 152 HG 0.27 -0.04 -0.03 -0.04 1.64 1.80 1nm5C1 LEU 152 HD13 0.19 -0.01 -0.17 -0.04 0.93 0.89 1nm5C1 LEU 152 HD23 0.22 0.02 -0.16 -0.04 0.89 0.93 1nm5C1 ASP 153 H -0.33 0.19 0.09 -0.55 8.40 7.80 1nm5C1 ASP 153 HA -0.20 0.12 0.46 -0.75 4.63 4.26 1nm5C1 ASP 153 HB2 -0.12 0.13 0.23 -0.04 2.71 2.90 1nm5C1 ASP 153 HB3 -0.10 -0.03 0.15 -0.04 2.70 2.68 1nm5C1 VAL 154 H -0.40 0.43 -0.12 -0.55 8.24 7.60 1nm5C1 VAL 154 HA -0.68 0.11 0.26 -0.75 4.13 3.06 1nm5C1 VAL 154 HB -0.13 0.05 0.00 -0.04 2.12 2.00 1nm5C1 VAL 154 HG13 -0.24 0.00 -0.14 -0.04 0.97 0.55 1nm5C1 VAL 154 HG23 -0.12 0.03 -0.11 -0.04 0.95 0.71 1nm5C1 GLU 155 H -0.13 0.05 -0.26 -0.55 8.60 7.72 1nm5C1 GLU 155 HA -0.01 0.11 0.33 -0.75 4.29 3.97 1nm5C1 GLU 155 HB2 -0.00 0.05 0.01 -0.04 2.09 2.11 1nm5C1 GLU 155 HB3 -0.02 -0.08 0.04 -0.04 1.99 1.89 1nm5C1 GLU 155 HG2 -0.06 -0.11 -0.05 -0.04 2.34 2.08 1nm5C1 GLU 155 HG3 -0.02 0.12 -0.27 -0.04 2.34 2.13 1nm5C1 LYS 156 H -0.06 0.15 -0.50 -0.55 8.42 7.46 1nm5C1 LYS 156 HA 0.02 0.06 0.37 -0.75 4.32 4.02 1nm5C1 LYS 156 HB2 0.05 0.15 -0.07 -0.04 1.87 1.97 1nm5C1 LYS 156 HB3 0.07 -0.02 -0.16 -0.04 1.79 1.65 1nm5C1 LYS 156 HG2 0.01 0.01 -0.05 -0.04 1.46 1.38 1nm5C1 LYS 156 HG3 -0.01 -0.08 -0.01 -0.04 1.46 1.31 1nm5C1 LYS 156 HD2 0.04 -0.02 0.01 -0.04 1.69 1.68 1nm5C1 LYS 156 HD3 0.04 0.04 0.01 -0.04 1.68 1.72 1nm5C1 LYS 156 HE2 0.02 0.02 -0.01 -0.04 2.99 2.98 1nm5C1 LYS 156 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.91 1nm5C1 ALA 157 H 0.08 0.18 -0.52 -0.55 8.40 7.59 1nm5C1 ALA 157 HA 0.09 0.38 0.59 -0.75 4.34 4.65 1nm5C1 ALA 157 HB3 0.16 -0.06 -0.17 -0.04 1.41 1.29 1nm5C1 GLY 158 H 0.04 0.55 0.26 -0.55 8.43 8.73 1nm5C1 GLY 158 HA2 0.03 -0.03 0.41 -0.51 4.01 3.91 1nm5C1 GLY 158 HA3 0.03 -0.01 0.46 -0.51 4.01 3.97 1nm5C1 THR 159 H 0.04 0.26 -0.05 -0.55 8.28 7.98 1nm5C1 THR 159 HA 0.04 0.27 0.57 -0.75 4.39 4.51 1nm5C1 THR 159 HB 0.03 0.10 0.05 -0.04 4.32 4.47 1nm5C1 THR 159 HG23 0.04 -0.02 -0.06 -0.04 1.22 1.14 1nm5C1 VAL 160 H 0.04 0.57 0.33 -0.55 8.24 8.63 1nm5C1 VAL 160 HA -0.02 0.16 1.09 -0.75 4.13 4.60 1nm5C1 VAL 160 HB 0.05 -0.06 0.11 -0.04 2.12 2.18 1nm5C1 VAL 160 HG13 -0.40 -0.03 -0.13 -0.04 0.97 0.37 1nm5C1 VAL 160 HG23 0.01 0.02 -0.19 -0.04 0.95 0.74 1nm5C1 LEU 161 H -0.05 0.44 0.25 -0.55 8.37 8.45 1nm5C1 LEU 161 HA 0.00 0.26 0.96 -0.75 4.35 4.82 1nm5C1 LEU 161 HB2 0.09 -0.08 0.17 -0.04 1.64 1.78 1nm5C1 LEU 161 HB3 0.02 -0.03 -0.06 -0.04 1.64 1.53 1nm5C1 LEU 161 HG 0.07 -0.01 -0.10 -0.04 1.64 1.56 1nm5C1 LEU 161 HD13 0.06 0.05 -0.41 -0.04 0.93 0.59 1nm5C1 LEU 161 HD23 0.21 -0.01 -0.09 -0.04 0.89 0.96 1nm5C1 PHE 162 H 0.10 0.67 0.32 -0.55 8.34 8.89 1nm5C1 PHE 162 HA -0.12 0.18 0.94 -0.75 4.62 4.86 1nm5C1 PHE 162 HB2 -0.13 0.08 0.15 -0.04 3.15 3.21 1nm5C1 PHE 162 HB3 -0.14 -0.04 -0.11 -0.04 3.06 2.73 1nm5C1 PHE 162 HD2 0.07 0.09 -0.09 -0.04 7.28 7.30 1nm5C1 PHE 162 HE2 0.06 -0.01 -0.19 -0.04 7.38 7.20 1nm5C1 PHE 162 HZ -0.04 -0.06 -0.16 -0.04 7.32 7.01 1nm5C1 ILE 163 H -0.11 0.53 0.41 -0.55 8.25 8.52 1nm5C1 ILE 163 HA -0.07 0.35 1.07 -0.75 4.18 4.77 1nm5C1 ILE 163 HB -0.18 -0.17 0.29 -0.04 1.89 1.79 1nm5C1 ILE 163 HG12 -0.06 0.06 -0.08 -0.04 1.49 1.38 1nm5C1 ILE 163 HG13 -0.23 0.06 -0.29 -0.04 1.21 0.70 1nm5C1 ILE 163 HG23 -0.03 -0.02 -0.18 -0.04 0.93 0.67 1nm5C1 ILE 163 HD13 -0.09 -0.01 -0.15 -0.04 0.88 0.58 1nm5C1 LYS 164 H -0.01 0.66 0.30 -0.55 8.42 8.81 1nm5C1 LYS 164 HA 0.02 -0.06 0.36 -0.75 4.32 3.88 1nm5C1 LYS 164 HB2 0.03 -0.12 0.09 -0.04 1.87 1.82 1nm5C1 LYS 164 HB3 0.03 0.04 0.18 -0.04 1.79 2.00 1nm5C1 LYS 164 HG2 -0.09 -0.08 -0.44 -0.04 1.46 0.81 1nm5C1 LYS 164 HG3 -0.02 0.18 -0.14 -0.04 1.46 1.44 1nm5C1 LYS 164 HD2 -0.02 -0.05 -0.12 -0.04 1.69 1.46 1nm5C1 LYS 164 HD3 -0.62 -0.01 -0.12 -0.04 1.68 0.89 1nm5C1 LYS 164 HE2 -0.29 0.03 -0.04 -0.04 2.99 2.65 1nm5C1 LYS 164 HE3 -0.03 -0.11 -0.15 -0.04 2.99 2.66 1nm5C1 ARG 165 H 0.03 0.05 0.16 -0.55 8.46 8.15 1nm5C1 ARG 165 HA 0.07 0.07 0.43 -0.75 4.34 4.16 1nm5C1 ARG 165 HB2 0.00 -0.03 0.09 -0.04 1.90 1.92 1nm5C1 ARG 165 HB3 -0.00 0.04 -0.01 -0.04 1.80 1.78 1nm5C1 ARG 165 HG2 0.01 -0.06 -0.28 -0.04 1.67 1.29 1nm5C1 ARG 165 HG3 0.01 -0.03 0.03 -0.04 1.67 1.65 1nm5C1 ARG 165 HD2 -0.00 0.05 -0.02 -0.04 3.22 3.21 1nm5C1 ARG 165 HD3 -0.01 -0.07 0.02 -0.04 3.22 3.12 1nm5C1 SER 166 H 0.03 0.03 -0.11 -0.55 8.46 7.87 1nm5C1 SER 166 HA -0.31 0.27 0.72 -0.75 4.49 4.42 1nm5C1 SER 166 HB2 -0.11 0.01 0.13 -0.04 3.95 3.94 1nm5C1 SER 166 HB3 -0.08 0.06 -0.21 -0.04 3.93 3.66 1nm5C1 MET 167 H -0.08 0.15 0.10 -0.55 8.47 8.09 1nm5C1 MET 167 HA -0.06 0.23 0.80 -0.75 4.52 4.73 1nm5C1 MET 167 HB2 -0.01 -0.02 0.05 -0.04 2.15 2.13 1nm5C1 MET 167 HB3 0.07 0.00 0.11 -0.04 2.03 2.18 1nm5C1 MET 167 HG2 -0.07 -0.04 -0.22 -0.04 2.63 2.26 1nm5C1 MET 167 HG3 0.05 0.05 -0.05 -0.04 2.56 2.57 1nm5C1 MET 167 HE3 0.22 -0.01 -0.04 -0.04 2.10 2.23 1nm5C1 ALA 168 H 0.00 -0.08 -0.14 -0.55 8.40 7.63 1nm5C1 ALA 168 HA 0.04 0.06 0.29 -0.75 4.34 3.98 1nm5C1 ALA 168 HB3 0.03 -0.00 0.06 -0.04 1.41 1.45 1nm5C1 SER 169 H 0.05 0.08 0.08 -0.55 8.46 8.12 1nm5C1 SER 169 HA 0.09 0.16 0.50 -0.75 4.49 4.50 1nm5C1 SER 169 HB2 0.03 -0.31 0.08 -0.04 3.95 3.71 1nm5C1 SER 169 HB3 0.04 0.09 -0.25 -0.04 3.93 3.77 1nm5C1 GLY 170 H 0.06 0.07 0.09 -0.55 8.43 8.10 1nm5C1 GLY 170 HA2 0.12 0.26 0.79 -0.51 4.01 4.67 1nm5C1 GLY 170 HA3 0.10 -0.20 0.48 -0.51 4.01 3.88 1nm5C1 TYR 171 H 0.19 0.06 0.21 -0.55 8.29 8.20 1nm5C1 TYR 171 HA 0.01 0.19 0.50 -0.75 4.56 4.50 1nm5C1 TYR 171 HB2 -0.03 -0.03 0.18 -0.04 3.06 3.14 1nm5C1 TYR 171 HB3 -0.02 -0.03 0.14 -0.04 2.98 3.04 1nm5C1 TYR 171 HD2 -0.04 -0.03 -0.04 -0.04 7.15 6.99 1nm5C1 TYR 171 HE2 -0.03 0.03 0.00 -0.04 6.85 6.81 1nm5C1 ALA 172 H 0.10 -0.12 -0.08 -0.55 8.40 7.75 1nm5C1 ALA 172 HA 0.03 0.22 0.16 -0.75 4.34 4.00 1nm5C1 ALA 172 HB3 0.05 -0.01 0.04 -0.04 1.41 1.45 1nm5C1 GLY 173 H 0.00 0.01 -0.49 -0.55 8.43 7.40 1nm5C1 GLY 173 HA2 -0.01 0.03 0.19 -0.51 4.01 3.71 1nm5C1 GLY 173 HA3 -0.03 0.18 0.38 -0.51 4.01 4.03 1nm5C1 VAL 174 H 0.01 -0.11 -0.16 -0.55 8.24 7.43 1nm5C1 VAL 174 HA 0.00 0.26 0.84 -0.75 4.13 4.48 1nm5C1 VAL 174 HB -0.01 0.05 0.06 -0.04 2.12 2.17 1nm5C1 VAL 174 HG13 0.00 0.02 -0.22 -0.04 0.97 0.73 1nm5C1 VAL 174 HG23 -0.03 -0.02 -0.23 -0.04 0.95 0.63 1nm5C1 GLU 175 H 0.01 0.17 0.13 -0.55 8.60 8.36 1nm5C1 GLU 175 HA 0.01 0.15 0.57 -0.75 4.29 4.26 1nm5C1 GLU 175 HB2 0.08 0.05 0.05 -0.04 2.09 2.23 1nm5C1 GLU 175 HB3 0.06 -0.01 0.00 -0.04 1.99 2.00 1nm5C1 GLU 175 HG2 0.38 0.05 -0.07 -0.04 2.34 2.65 1nm5C1 GLU 175 HG3 0.02 -0.02 -0.18 -0.04 2.34 2.12 1nm5C1 ASN 176 H -0.38 0.28 0.09 -0.55 8.53 7.98 1nm5C1 ASN 176 HA -0.38 0.08 0.81 -0.75 4.76 4.52 1nm5C1 ASN 176 HB2 -0.87 0.03 -0.00 -0.04 2.88 2.00 1nm5C1 ASN 176 HB3 -2.74 0.03 0.12 -0.04 2.79 0.16 1nm5C1 ASN 176 HD21 -0.16 0.07 -0.09 -0.04 7.03 6.81 1nm5C1 ASN 176 HD22 -0.31 -0.09 -0.14 -0.04 7.74 7.16 1nm5C1 GLU 177 H -0.23 0.18 0.08 -0.55 8.60 8.08 1nm5C1 GLU 177 HA -0.20 0.12 0.33 -0.75 4.29 3.79 1nm5C1 GLU 177 HB2 -0.07 -0.03 0.01 -0.04 2.09 1.95 1nm5C1 GLU 177 HB3 0.03 0.12 -0.01 -0.04 1.99 2.09 1nm5C1 GLU 177 HG2 -0.04 -0.07 0.04 -0.04 2.34 2.23 1nm5C1 GLU 177 HG3 0.00 0.05 -0.01 -0.04 2.34 2.35 1nm5C1 LEU 178 H -0.30 -0.02 -0.26 -0.55 8.37 7.24 1nm5C1 LEU 178 HA -0.06 0.11 0.23 -0.75 4.35 3.88 1nm5C1 LEU 178 HB2 -0.17 -0.13 -0.03 -0.04 1.64 1.27 1nm5C1 LEU 178 HB3 0.05 0.06 -0.20 -0.04 1.64 1.51 1nm5C1 LEU 178 HG -0.00 -0.01 -0.02 -0.04 1.64 1.57 1nm5C1 LEU 178 HD13 0.07 -0.02 -0.07 -0.04 0.93 0.87 1nm5C1 LEU 178 HD23 0.14 0.03 -0.06 -0.04 0.89 0.95 1nm5C1 PHE 179 H -0.71 0.23 -0.58 -0.55 8.34 6.73 1nm5C1 PHE 179 HA -0.34 0.03 0.38 -0.75 4.62 3.93 1nm5C1 PHE 179 HB2 -0.92 0.06 0.11 -0.04 3.15 2.36 1nm5C1 PHE 179 HB3 -0.35 0.00 -0.04 -0.04 3.06 2.63 1nm5C1 PHE 179 HD2 -0.68 0.03 -0.05 -0.04 7.28 6.53 1nm5C1 PHE 179 HE2 -0.97 0.05 -0.05 -0.04 7.38 6.37 1nm5C1 PHE 179 HZ -0.27 -0.06 -0.04 -0.04 7.32 6.92 1nm5C1 PHE 180 H -0.96 0.19 -0.10 -0.55 8.34 6.92 1nm5C1 PHE 180 HA 0.06 0.08 0.85 -0.75 4.62 4.87 1nm5C1 PHE 180 HB2 0.04 0.05 0.22 -0.04 3.15 3.42 1nm5C1 PHE 180 HB3 0.06 -0.04 0.06 -0.04 3.06 3.09 1nm5C1 PHE 180 HD2 0.05 0.05 0.02 -0.04 7.28 7.36 1nm5C1 PHE 180 HE2 0.04 -0.04 -0.03 -0.04 7.38 7.31 1nm5C1 PHE 180 HZ 0.02 -0.07 -0.09 -0.04 7.32 7.13 1nm5C1 ARG 181 H 0.09 0.47 -0.19 -0.55 8.46 8.28 1nm5C1 ARG 181 HA 0.10 0.10 0.53 -0.75 4.34 4.32 1nm5C1 ARG 181 HB2 0.06 -0.04 0.10 -0.04 1.90 1.98 1nm5C1 ARG 181 HB3 0.07 0.09 -0.31 -0.04 1.80 1.61 1nm5C1 ARG 181 HG2 0.04 0.11 -0.07 -0.04 1.67 1.71 1nm5C1 ARG 181 HG3 0.05 -0.12 -0.31 -0.04 1.67 1.25 1nm5C1 ARG 181 HD2 0.03 0.03 -0.07 -0.04 3.22 3.16 1nm5C1 ARG 181 HD3 0.03 0.01 -0.06 -0.04 3.22 3.16 1nm5C1 ASN 182 H 0.06 0.13 0.12 -0.55 8.53 8.29 1nm5C1 ASN 182 HA 0.05 0.04 0.33 -0.75 4.76 4.41 1nm5C1 ASN 182 HB2 0.03 0.08 0.03 -0.04 2.88 2.98 1nm5C1 ASN 182 HB3 0.04 -0.01 0.15 -0.04 2.79 2.92 1nm5C1 ASN 182 HD21 0.03 0.03 0.02 -0.04 7.03 7.08 1nm5C1 ASN 182 HD22 0.04 -0.01 0.10 -0.04 7.74 7.82 1nm5C1 ASN 183 H 0.05 0.04 -0.13 -0.55 8.53 7.94 1nm5C1 ASN 183 HA 0.04 0.18 0.62 -0.75 4.76 4.84 1nm5C1 ASN 183 HB2 0.04 -0.07 0.12 -0.04 2.88 2.93 1nm5C1 ASN 183 HB3 0.04 0.12 0.31 -0.04 2.79 3.22 1nm5C1 ASN 183 HD21 0.02 -0.12 0.07 -0.04 7.03 6.96 1nm5C1 ASN 183 HD22 0.03 0.39 0.20 -0.04 7.74 8.32 1nm5C1 THR 184 H 0.07 0.49 -0.01 -0.55 8.28 8.28 1nm5C1 THR 184 HA 0.10 0.13 1.02 -0.75 4.39 4.88 1nm5C1 THR 184 HB 0.10 0.08 0.22 -0.04 4.32 4.68 1nm5C1 THR 184 HG23 0.26 -0.03 -0.02 -0.04 1.22 1.39 1nm5C1 MET 185 H 0.11 0.43 0.37 -0.55 8.47 8.83 1nm5C1 MET 185 HA 0.00 0.22 0.88 -0.75 4.52 4.88 1nm5C1 MET 185 HB2 0.04 0.10 -0.06 -0.04 2.15 2.18 1nm5C1 MET 185 HB3 0.01 -0.13 -0.06 -0.04 2.03 1.81 1nm5C1 MET 185 HG2 0.02 0.15 -0.09 -0.04 2.63 2.67 1nm5C1 MET 185 HG3 0.03 0.01 -0.18 -0.04 2.56 2.39 1nm5C1 MET 185 HE3 0.03 -0.01 -0.21 -0.04 2.10 1.87 1nm5C1 MET 186 H -0.13 0.57 0.35 -0.55 8.47 8.71 1nm5C1 MET 186 HA -0.25 0.13 0.84 -0.75 4.52 4.48 1nm5C1 MET 186 HB2 -0.52 0.05 0.15 -0.04 2.15 1.80 1nm5C1 MET 186 HB3 -1.42 -0.02 -0.08 -0.04 2.03 0.47 1nm5C1 MET 186 HG2 -0.20 0.10 -0.04 -0.04 2.63 2.45 1nm5C1 MET 186 HG3 -0.33 -0.03 -0.08 -0.04 2.56 2.08 1nm5C1 MET 186 HE3 -0.02 0.02 -0.17 -0.04 2.10 1.90 1nm5C1 LEU 187 H -0.24 0.77 0.35 -0.55 8.37 8.71 1nm5C1 LEU 187 HA -0.14 0.27 0.83 -0.75 4.35 4.55 1nm5C1 LEU 187 HB2 -0.08 0.09 0.06 -0.04 1.64 1.67 1nm5C1 LEU 187 HB3 -0.03 -0.10 -0.07 -0.04 1.64 1.39 1nm5C1 LEU 187 HG -0.00 -0.03 -0.32 -0.04 1.64 1.25 1nm5C1 LEU 187 HD13 -0.04 0.06 -0.45 -0.04 0.93 0.46 1nm5C1 LEU 187 HD23 0.05 -0.01 -0.22 -0.04 0.89 0.67 1nm5C1 PHE 188 H -0.03 0.27 0.11 -0.55 8.34 8.14 1nm5C1 PHE 188 HA -0.04 0.40 0.51 -0.75 4.62 4.73 1nm5C1 PHE 188 HB2 -0.02 -0.03 0.20 -0.04 3.15 3.26 1nm5C1 PHE 188 HB3 -0.03 0.05 0.09 -0.04 3.06 3.13 1nm5C1 PHE 188 HD2 -0.05 0.10 -0.15 -0.04 7.28 7.13 1nm5C1 PHE 188 HE2 -0.11 0.10 -0.18 -0.04 7.38 7.15 1nm5C1 PHE 188 HZ -0.11 -0.01 -0.15 -0.04 7.32 7.01 1nm5C1 GLY 189 H 0.09 0.41 0.19 -0.55 8.43 8.58 1nm5C1 GLY 189 HA2 0.06 0.09 0.26 -0.51 4.01 3.91 1nm5C1 GLY 189 HA3 0.05 0.03 0.46 -0.51 4.01 4.04 1nm5C1 ASP 190 H 0.02 0.17 0.14 -0.55 8.40 8.19 1nm5C1 ASP 190 HA 0.01 0.12 0.69 -0.75 4.63 4.69 1nm5C1 ASP 190 HB2 0.01 0.14 0.15 -0.04 2.71 2.97 1nm5C1 ASP 190 HB3 0.01 -0.07 0.16 -0.04 2.70 2.75 1nm5C1 ALA 191 H -0.01 0.19 0.14 -0.55 8.40 8.18 1nm5C1 ALA 191 HA 0.01 0.13 0.17 -0.75 4.34 3.90 1nm5C1 ALA 191 HB3 -0.01 0.02 -0.04 -0.04 1.41 1.34 1nm5C1 LYS 192 H 0.01 0.08 -0.12 -0.55 8.42 7.84 1nm5C1 LYS 192 HA 0.04 0.10 0.57 -0.75 4.32 4.27 1nm5C1 LYS 192 HB2 0.02 0.13 -0.08 -0.04 1.87 1.90 1nm5C1 LYS 192 HB3 0.02 -0.03 0.05 -0.04 1.79 1.78 1nm5C1 LYS 192 HG2 0.03 -0.03 -0.10 -0.04 1.46 1.32 1nm5C1 LYS 192 HG3 0.04 -0.09 -0.01 -0.04 1.46 1.37 1nm5C1 LYS 192 HD2 0.03 0.27 0.02 -0.04 1.69 1.98 1nm5C1 LYS 192 HD3 0.02 -0.04 0.00 -0.04 1.68 1.62 1nm5C1 LYS 192 HE2 0.03 -0.06 -0.02 -0.04 2.99 2.90 1nm5C1 LYS 192 HE3 0.05 0.01 0.03 -0.04 2.99 3.05 1nm5C1 LYS 193 H 0.02 0.02 -0.20 -0.55 8.42 7.70 1nm5C1 LYS 193 HA 0.02 0.12 0.38 -0.75 4.32 4.09 1nm5C1 LYS 193 HB2 0.01 -0.09 0.13 -0.04 1.87 1.88 1nm5C1 LYS 193 HB3 0.02 0.05 0.01 -0.04 1.79 1.83 1nm5C1 LYS 193 HG2 0.01 0.03 0.05 -0.04 1.46 1.51 1nm5C1 LYS 193 HG3 0.01 0.02 0.03 -0.04 1.46 1.49 1nm5C1 LYS 193 HD2 0.01 -0.00 -0.05 -0.04 1.69 1.62 1nm5C1 LYS 193 HD3 0.01 0.05 0.00 -0.04 1.68 1.70 1nm5C1 LYS 193 HE2 0.02 -0.08 0.04 -0.04 2.99 2.92 1nm5C1 LYS 193 HE3 0.01 0.06 0.02 -0.04 2.99 3.04 1nm5C1 MET 194 H 0.03 0.71 -0.10 -0.55 8.47 8.56 1nm5C1 MET 194 HA 0.03 0.01 0.27 -0.75 4.52 4.08 1nm5C1 MET 194 HB2 0.03 0.22 -0.10 -0.04 2.15 2.26 1nm5C1 MET 194 HB3 0.05 0.03 -0.23 -0.04 2.03 1.84 1nm5C1 MET 194 HG2 0.03 -0.02 -0.17 -0.04 2.63 2.43 1nm5C1 MET 194 HG3 0.02 0.07 -0.31 -0.04 2.56 2.30 1nm5C1 MET 194 HE3 0.01 -0.01 -0.24 -0.04 2.10 1.83 1nm5C1 THR 195 H 0.06 0.34 -0.38 -0.55 8.28 7.75 1nm5C1 THR 195 HA 0.11 0.07 0.42 -0.75 4.39 4.23 1nm5C1 THR 195 HB 0.07 0.01 0.06 -0.04 4.32 4.42 1nm5C1 THR 195 HG23 0.09 -0.00 -0.25 -0.04 1.22 1.02 1nm5C1 GLU 196 H 0.03 0.55 -0.10 -0.55 8.60 8.54 1nm5C1 GLU 196 HA 0.01 0.02 0.42 -0.75 4.29 4.00 1nm5C1 GLU 196 HB2 0.02 0.12 0.23 -0.04 2.09 2.42 1nm5C1 GLU 196 HB3 0.01 -0.02 -0.01 -0.04 1.99 1.92 1nm5C1 GLU 196 HG2 0.02 -0.01 0.04 -0.04 2.34 2.35 1nm5C1 GLU 196 HG3 0.03 0.01 0.08 -0.04 2.34 2.42 1nm5C1 GLN 197 H 0.01 0.56 -0.21 -0.55 8.47 8.29 1nm5C1 GLN 197 HA -0.01 0.03 0.36 -0.75 4.36 3.99 1nm5C1 GLN 197 HB2 0.01 0.08 0.11 -0.04 2.15 2.32 1nm5C1 GLN 197 HB3 -0.00 -0.10 -0.02 -0.04 2.02 1.85 1nm5C1 GLN 197 HG2 -0.00 -0.02 0.02 -0.04 2.40 2.36 1nm5C1 GLN 197 HG3 0.00 0.01 0.01 -0.04 2.39 2.37 1nm5C1 GLN 197 HE21 0.01 -0.04 -0.04 -0.04 6.97 6.86 1nm5C1 GLN 197 HE22 0.01 0.02 -0.02 -0.04 7.69 7.66 1nm5C1 ILE 198 H 0.01 0.41 -0.26 -0.55 8.25 7.85 1nm5C1 ILE 198 HA -0.05 0.01 0.49 -0.75 4.18 3.88 1nm5C1 ILE 198 HB -0.00 0.11 0.12 -0.04 1.89 2.08 1nm5C1 ILE 198 HG12 0.01 0.04 0.02 -0.04 1.49 1.52 1nm5C1 ILE 198 HG13 0.02 -0.01 0.07 -0.04 1.21 1.25 1nm5C1 ILE 198 HG23 -0.09 0.00 -0.20 -0.04 0.93 0.60 1nm5C1 ILE 198 HD13 0.16 -0.04 -0.18 -0.04 0.88 0.78 1nm5C1 VAL 199 H -0.02 0.50 -0.14 -0.55 8.24 8.03 1nm5C1 VAL 199 HA -0.05 0.08 0.43 -0.75 4.13 3.84 1nm5C1 VAL 199 HB -0.01 0.13 0.13 -0.04 2.12 2.33 1nm5C1 VAL 199 HG13 -0.02 -0.01 -0.14 -0.04 0.97 0.76 1nm5C1 VAL 199 HG23 -0.02 0.03 -0.03 -0.04 0.95 0.89 1nm5C1 GLN 200 H -0.02 0.32 -0.31 -0.55 8.47 7.90 1nm5C1 GLN 200 HA -0.02 0.03 0.44 -0.75 4.36 4.06 1nm5C1 GLN 200 HB2 -0.02 0.08 0.18 -0.04 2.15 2.35 1nm5C1 GLN 200 HB3 -0.03 -0.01 -0.03 -0.04 2.02 1.91 1nm5C1 GLN 200 HG2 -0.01 -0.01 0.03 -0.04 2.40 2.37 1nm5C1 GLN 200 HG3 -0.01 0.01 -0.01 -0.04 2.39 2.35 1nm5C1 GLN 200 HE21 -0.01 -0.03 -0.02 -0.04 6.97 6.87 1nm5C1 GLN 200 HE22 -0.01 0.02 -0.03 -0.04 7.69 7.63 1nm5C1 ALA 201 H -0.06 0.35 -0.17 -0.55 8.40 7.98 1nm5C1 ALA 201 HA -0.07 0.03 0.33 -0.75 4.34 3.87 1nm5C1 ALA 201 HB3 -0.14 -0.01 0.04 -0.04 1.41 1.26 1nm5C1 MET 202 H -0.06 0.17 -0.80 -0.55 8.47 7.23 1nm5C1 MET 202 HA -0.07 0.08 0.62 -0.75 4.52 4.39 1nm5C1 MET 202 HB2 -0.05 0.08 0.05 -0.04 2.15 2.18 1nm5C1 MET 202 HB3 -0.05 0.04 -0.01 -0.04 2.03 1.97 1nm5C1 MET 202 HG2 -0.08 -0.02 -0.04 -0.04 2.63 2.45 1nm5C1 MET 202 HG3 -0.09 0.25 -0.02 -0.04 2.56 2.65 1nm5C1 MET 202 HE3 -0.15 -0.05 -0.15 -0.04 2.10 1.71 1nm5C1 ASN 203 H -0.03 0.23 -0.19 -0.55 8.53 7.99 1nm5C1 ASN 203 HA -0.02 0.04 0.16 -0.75 4.76 4.19 1nm5C1 ASN 203 HB2 -0.01 0.04 -0.62 -0.04 2.88 2.24 1nm5C1 ASN 203 HB3 -0.01 0.07 0.03 -0.04 2.79 2.85 1nm5C1 ASN 203 HD21 0.00 -0.07 -0.03 -0.04 7.03 6.89 1nm5C1 ASN 203 HD22 0.00 0.04 -0.08 -0.04 7.74 7.66