============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 12 1.000 3.052 43.583 92.553 -99.200 -91.000 TYR 21 0.840 -1.933 31.372 85.893 -99.200 -91.000 TYR 42 0.840 4.608 28.641 95.890 -99.200 -91.000 TYR 50 0.840 8.156 24.911 98.075 -99.200 -91.000 TYR 51 0.840 9.485 16.721 96.376 -99.200 -91.000 PHE 74 1.000 4.239 25.940 102.592 -99.200 -91.000 PHE 77 1.000 7.130 15.919 101.314 -99.200 -91.000 PHE 78 1.000 12.821 22.691 100.826 -99.200 -91.000 TYR 84 0.840 15.226 23.132 84.794 -99.200 -91.000 HIS 87 0.900 12.970 9.617 84.208 -99.200 -91.000 PHE 94 1.000 4.504 17.834 92.957 -99.200 -91.000 PHE 101 1.000 12.929 35.923 88.038 -99.200 -91.000 PHE 103 1.000 11.387 25.015 81.158 -99.200 -91.000 HIS 104 0.900 16.961 31.223 82.525 -99.200 -91.000 TYR 105 0.840 19.995 28.825 84.422 -99.200 -91.000 PHE 107 1.000 14.265 26.472 76.527 -99.200 -91.000 HIS 123 0.900 7.671 14.545 88.336 -99.200 -91.000 TYR 129 0.840 -3.744 26.843 85.042 -99.200 -91.000 PHE 130 1.000 6.631 24.826 83.358 -99.200 -91.000 TYR 144 0.840 23.792 42.240 69.088 -99.200 -91.000 PHE 153 1.000 20.157 49.704 88.803 -99.200 -91.000 TYR 154 0.840 21.023 45.181 81.604 -99.200 -91.000 TYR 172 0.840 21.401 35.761 77.637 -99.200 -91.000 PHE 174 1.000 21.281 38.902 83.815 -99.200 -91.000 TYR 186 0.840 22.817 26.834 78.323 -99.200 -91.000 PHE 187 1.000 19.448 34.748 73.450 -99.200 -91.000 PHE 190 1.000 6.979 31.590 73.911 -99.200 -91.000 PHE 197 1.000 6.379 22.714 78.300 -99.200 -91.000 PHE 210 1.000 9.243 39.417 85.072 -99.200 -91.000 PHE 213 1.000 1.961 39.185 85.839 -99.200 -91.000 TYR 214 0.840 5.721 46.731 88.948 -99.200 -91.000 TYR 244 0.840 14.726 38.270 84.176 -99.200 -91.000 PHE 249 1.000 3.933 26.469 77.442 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ri1A1 SER 41 HA 0.04 0.01 0.20 -0.75 4.49 3.98 1ri1A1 SER 41 HB2 0.03 0.11 0.07 -0.04 3.95 4.12 1ri1A1 SER 41 HB3 0.03 -0.03 -0.00 -0.04 3.93 3.88 1ri1A1 LYS 42 H 0.08 0.16 0.11 -0.55 8.42 8.21 1ri1A1 LYS 42 HA 0.09 0.24 0.80 -0.75 4.32 4.69 1ri1A1 LYS 42 HB2 0.16 0.02 0.07 -0.04 1.87 2.08 1ri1A1 LYS 42 HB3 0.21 -0.02 0.17 -0.04 1.79 2.11 1ri1A1 LYS 42 HG2 0.06 -0.01 -0.06 -0.04 1.46 1.40 1ri1A1 LYS 42 HG3 0.05 0.02 0.02 -0.04 1.46 1.51 1ri1A1 LYS 42 HD2 0.07 -0.04 0.03 -0.04 1.69 1.71 1ri1A1 LYS 42 HD3 0.06 0.10 -0.09 -0.04 1.68 1.71 1ri1A1 LYS 42 HE2 0.03 0.02 -0.02 -0.04 2.99 2.98 1ri1A1 LYS 42 HE3 0.03 0.03 -0.07 -0.04 2.99 2.95 1ri1A1 THR 43 H 0.06 0.15 -0.18 -0.55 8.28 7.76 1ri1A1 THR 43 HA -0.08 0.18 0.90 -0.75 4.39 4.63 1ri1A1 THR 43 HB -0.03 -0.04 0.12 -0.04 4.32 4.34 1ri1A1 THR 43 HG23 0.12 0.04 -0.09 -0.04 1.22 1.25 1ri1A1 ILE 44 H 0.02 0.26 -0.25 -0.55 8.25 7.74 1ri1A1 ILE 44 HA 0.01 0.08 0.33 -0.75 4.18 3.85 1ri1A1 ILE 44 HB 0.02 0.14 0.08 -0.04 1.89 2.09 1ri1A1 ILE 44 HG12 0.01 0.01 -0.15 -0.04 1.49 1.32 1ri1A1 ILE 44 HG13 0.02 -0.01 0.05 -0.04 1.21 1.22 1ri1A1 ILE 44 HG23 0.02 0.02 -0.00 -0.04 0.93 0.92 1ri1A1 ILE 44 HD13 0.02 0.03 -0.00 -0.04 0.88 0.89 1ri1A1 ASN 45 H -0.02 0.14 -0.20 -0.55 8.53 7.90 1ri1A1 ASN 45 HA -0.01 0.20 0.37 -0.75 4.76 4.56 1ri1A1 ASN 45 HB2 -0.08 -0.07 0.03 -0.04 2.88 2.72 1ri1A1 ASN 45 HB3 -0.04 -0.01 0.01 -0.04 2.79 2.71 1ri1A1 ASN 45 HD21 0.02 0.08 0.02 -0.04 7.03 7.11 1ri1A1 ASN 45 HD22 -0.01 -0.10 0.03 -0.04 7.74 7.62 1ri1A1 ILE 46 H -0.11 0.12 -0.32 -0.55 8.25 7.40 1ri1A1 ILE 46 HA -0.09 -0.02 0.39 -0.75 4.18 3.71 1ri1A1 ILE 46 HB -0.11 0.20 0.10 -0.04 1.89 2.05 1ri1A1 ILE 46 HG12 -0.22 -0.02 0.05 -0.04 1.49 1.27 1ri1A1 ILE 46 HG13 -0.31 -0.07 0.07 -0.04 1.21 0.86 1ri1A1 ILE 46 HG23 -0.05 -0.01 -0.09 -0.04 0.93 0.74 1ri1A1 ILE 46 HD13 -0.50 -0.00 0.05 -0.04 0.88 0.38 1ri1A1 ARG 47 H -0.02 0.47 -0.17 -0.55 8.46 8.18 1ri1A1 ARG 47 HA 0.01 0.01 0.48 -0.75 4.34 4.09 1ri1A1 ARG 47 HB2 0.02 0.13 0.13 -0.04 1.90 2.14 1ri1A1 ARG 47 HB3 0.03 -0.02 0.02 -0.04 1.80 1.79 1ri1A1 ARG 47 HG2 -0.00 -0.04 -0.03 -0.04 1.67 1.56 1ri1A1 ARG 47 HG3 -0.00 0.10 -0.13 -0.04 1.67 1.60 1ri1A1 ARG 47 HD2 0.02 0.03 -0.03 -0.04 3.22 3.20 1ri1A1 ARG 47 HD3 0.02 0.00 -0.02 -0.04 3.22 3.18 1ri1A1 ASN 48 H 0.02 0.65 0.01 -0.55 8.53 8.67 1ri1A1 ASN 48 HA 0.08 0.05 0.40 -0.75 4.76 4.53 1ri1A1 ASN 48 HB2 0.02 -0.02 0.23 -0.04 2.88 3.07 1ri1A1 ASN 48 HB3 0.05 0.11 0.03 -0.04 2.79 2.94 1ri1A1 ASN 48 HD21 0.02 -0.09 -0.02 -0.04 7.03 6.89 1ri1A1 ASN 48 HD22 0.01 -0.12 -0.01 -0.04 7.74 7.58 1ri1A1 ALA 49 H 0.01 0.59 -0.13 -0.55 8.40 8.33 1ri1A1 ALA 49 HA 0.16 0.03 0.35 -0.75 4.34 4.13 1ri1A1 ALA 49 HB3 -0.19 -0.00 0.05 -0.04 1.41 1.23 1ri1A1 ASN 50 H 0.08 0.55 -0.11 -0.55 8.53 8.50 1ri1A1 ASN 50 HA 0.24 -0.05 0.37 -0.75 4.76 4.56 1ri1A1 ASN 50 HB2 0.09 0.14 0.19 -0.04 2.88 3.26 1ri1A1 ASN 50 HB3 0.31 -0.06 -0.02 -0.04 2.79 2.98 1ri1A1 ASN 50 HD21 -0.17 -0.06 -0.04 -0.04 7.03 6.72 1ri1A1 ASN 50 HD22 -0.24 -0.00 -0.02 -0.04 7.74 7.43 1ri1A1 ASN 51 H 0.13 0.75 -0.16 -0.55 8.53 8.70 1ri1A1 ASN 51 HA 0.11 -0.04 0.40 -0.75 4.76 4.48 1ri1A1 ASN 51 HB2 0.11 0.18 0.13 -0.04 2.88 3.25 1ri1A1 ASN 51 HB3 0.10 -0.02 -0.05 -0.04 2.79 2.78 1ri1A1 ASN 51 HD21 0.07 -0.07 -0.02 -0.04 7.03 6.96 1ri1A1 ASN 51 HD22 0.07 0.07 -0.12 -0.04 7.74 7.72 1ri1A1 PHE 52 H 0.27 0.62 -0.23 -0.55 8.34 8.45 1ri1A1 PHE 52 HA 0.05 0.04 0.42 -0.75 4.62 4.37 1ri1A1 PHE 52 HB2 0.11 0.13 0.07 -0.04 3.15 3.43 1ri1A1 PHE 52 HB3 0.18 0.09 0.25 -0.04 3.06 3.54 1ri1A1 PHE 52 HD2 0.19 0.03 -0.10 -0.04 7.28 7.36 1ri1A1 PHE 52 HE2 -0.13 -0.00 -0.21 -0.04 7.38 7.00 1ri1A1 PHE 52 HZ -0.14 0.04 -0.38 -0.04 7.32 6.80 1ri1A1 ILE 53 H 0.24 0.81 0.03 -0.55 8.25 8.78 1ri1A1 ILE 53 HA 0.02 -0.01 0.27 -0.75 4.18 3.70 1ri1A1 ILE 53 HB -0.21 0.11 0.11 -0.04 1.89 1.86 1ri1A1 ILE 53 HG12 0.28 -0.05 -0.05 -0.04 1.49 1.63 1ri1A1 ILE 53 HG13 0.40 0.10 0.04 -0.04 1.21 1.70 1ri1A1 ILE 53 HG23 -0.88 -0.03 -0.20 -0.04 0.93 -0.23 1ri1A1 ILE 53 HD13 -0.34 -0.04 -0.12 -0.04 0.88 0.34 1ri1A1 LYS 54 H -0.04 0.59 -0.32 -0.55 8.42 8.10 1ri1A1 LYS 54 HA -0.16 -0.05 0.34 -0.75 4.32 3.70 1ri1A1 LYS 54 HB2 0.01 0.13 0.10 -0.04 1.87 2.08 1ri1A1 LYS 54 HB3 -0.05 -0.07 -0.07 -0.04 1.79 1.56 1ri1A1 LYS 54 HG2 -0.13 -0.11 -0.05 -0.04 1.46 1.13 1ri1A1 LYS 54 HG3 -0.10 0.00 -0.01 -0.04 1.46 1.31 1ri1A1 LYS 54 HD2 0.25 -0.10 -0.11 -0.04 1.69 1.69 1ri1A1 LYS 54 HD3 0.23 0.11 -0.26 -0.04 1.68 1.72 1ri1A1 LYS 54 HE2 0.08 0.06 -0.10 -0.04 2.99 2.99 1ri1A1 LYS 54 HE3 0.10 -0.08 -0.11 -0.04 2.99 2.86 1ri1A1 ALA 55 H -0.09 0.63 -0.20 -0.55 8.40 8.20 1ri1A1 ALA 55 HA -0.13 -0.04 0.42 -0.75 4.34 3.84 1ri1A1 ALA 55 HB3 -0.09 0.02 0.12 -0.04 1.41 1.43 1ri1A1 CYS 56 H -0.30 0.68 -0.06 -0.55 8.50 8.26 1ri1A1 CYS 56 HA -0.18 0.03 0.32 -0.75 4.58 4.00 1ri1A1 CYS 56 HB2 -0.08 0.09 0.07 -0.04 2.97 3.00 1ri1A1 CYS 56 HB3 -0.19 -0.04 -0.05 -0.04 2.97 2.65 1ri1A1 LEU 57 H -0.01 0.55 -0.22 -0.55 8.37 8.15 1ri1A1 LEU 57 HA 0.21 -0.02 0.31 -0.75 4.35 4.09 1ri1A1 LEU 57 HB2 -0.15 0.12 0.09 -0.04 1.64 1.65 1ri1A1 LEU 57 HB3 -0.09 0.06 0.01 -0.04 1.64 1.58 1ri1A1 LEU 57 HG -0.06 -0.01 -0.09 -0.04 1.64 1.44 1ri1A1 LEU 57 HD13 -0.14 -0.01 -0.05 -0.04 0.93 0.69 1ri1A1 LEU 57 HD23 -0.24 -0.02 -0.09 -0.04 0.89 0.49 1ri1A1 ILE 58 H -0.08 0.56 -0.20 -0.55 8.25 7.97 1ri1A1 ILE 58 HA -0.02 -0.06 0.32 -0.75 4.18 3.66 1ri1A1 ILE 58 HB -0.20 0.17 0.13 -0.04 1.89 1.95 1ri1A1 ILE 58 HG12 -0.23 -0.08 -0.06 -0.04 1.49 1.07 1ri1A1 ILE 58 HG13 -0.17 0.13 0.03 -0.04 1.21 1.15 1ri1A1 ILE 58 HG23 -0.29 -0.01 -0.27 -0.04 0.93 0.32 1ri1A1 ILE 58 HD13 -0.70 -0.04 -0.13 -0.04 0.88 -0.03 1ri1A1 ARG 59 H -0.08 0.56 -0.19 -0.55 8.46 8.20 1ri1A1 ARG 59 HA -0.06 0.04 0.40 -0.75 4.34 3.97 1ri1A1 ARG 59 HB2 -0.08 0.00 0.04 -0.04 1.90 1.82 1ri1A1 ARG 59 HB3 -0.09 0.09 0.16 -0.04 1.80 1.91 1ri1A1 ARG 59 HG2 -0.08 0.05 -0.22 -0.04 1.67 1.38 1ri1A1 ARG 59 HG3 -0.06 -0.02 -0.01 -0.04 1.67 1.54 1ri1A1 ARG 59 HD2 -0.10 -0.02 -0.04 -0.04 3.22 3.01 1ri1A1 ARG 59 HD3 -0.08 -0.02 -0.08 -0.04 3.22 3.01 1ri1A1 LEU 60 H -0.05 0.52 -0.15 -0.55 8.37 8.14 1ri1A1 LEU 60 HA -0.21 0.01 0.39 -0.75 4.35 3.78 1ri1A1 LEU 60 HB2 -0.03 0.11 0.16 -0.04 1.64 1.84 1ri1A1 LEU 60 HB3 -0.65 -0.07 -0.06 -0.04 1.64 0.83 1ri1A1 LEU 60 HG -0.11 0.05 -0.02 -0.04 1.64 1.51 1ri1A1 LEU 60 HD13 0.04 -0.05 -0.11 -0.04 0.93 0.77 1ri1A1 LEU 60 HD23 -0.21 -0.01 -0.02 -0.04 0.89 0.62 1ri1A1 TYR 61 H 0.05 0.38 -0.13 -0.55 8.29 8.04 1ri1A1 TYR 61 HA -0.26 0.23 0.95 -0.75 4.56 4.72 1ri1A1 TYR 61 HB2 -0.15 -0.01 -0.02 -0.04 3.06 2.84 1ri1A1 TYR 61 HB3 -0.36 -0.06 0.08 -0.04 2.98 2.60 1ri1A1 TYR 61 HD2 -0.90 0.17 -0.01 -0.04 7.15 6.36 1ri1A1 TYR 61 HE2 -0.11 -0.04 -0.10 -0.04 6.85 6.56 1ri1A1 THR 62 H 0.00 0.50 -0.07 -0.55 8.28 8.16 1ri1A1 THR 62 HA 0.08 0.12 1.03 -0.75 4.39 4.86 1ri1A1 THR 62 HB 0.11 -0.09 0.05 -0.04 4.32 4.35 1ri1A1 THR 62 HG23 0.13 -0.02 -0.08 -0.04 1.22 1.20 1ri1A1 LYS 63 H 0.06 0.13 0.18 -0.55 8.42 8.24 1ri1A1 LYS 63 HA 0.02 0.21 0.76 -0.75 4.32 4.56 1ri1A1 LYS 63 HB2 0.02 -0.04 0.11 -0.04 1.87 1.93 1ri1A1 LYS 63 HB3 0.02 0.07 -0.12 -0.04 1.79 1.71 1ri1A1 LYS 63 HG2 0.06 -0.08 -0.01 -0.04 1.46 1.39 1ri1A1 LYS 63 HG3 0.05 0.13 -0.25 -0.04 1.46 1.35 1ri1A1 LYS 63 HD2 0.03 -0.01 -0.03 -0.04 1.69 1.65 1ri1A1 LYS 63 HD3 0.05 0.02 -0.05 -0.04 1.68 1.66 1ri1A1 LYS 63 HE2 0.04 0.03 -0.05 -0.04 2.99 2.97 1ri1A1 LYS 63 HE3 0.04 -0.02 -0.03 -0.04 2.99 2.95 1ri1A1 ARG 64 H 0.03 0.10 0.14 -0.55 8.46 8.17 1ri1A1 ARG 64 HA 0.05 0.30 0.40 -0.75 4.34 4.33 1ri1A1 ARG 64 HB2 0.03 0.02 0.17 -0.04 1.90 2.08 1ri1A1 ARG 64 HB3 0.03 -0.08 0.14 -0.04 1.80 1.85 1ri1A1 ARG 64 HG2 0.04 -0.01 -0.07 -0.04 1.67 1.59 1ri1A1 ARG 64 HG3 0.04 0.11 0.15 -0.04 1.67 1.93 1ri1A1 ARG 64 HD2 0.03 -0.02 0.03 -0.04 3.22 3.22 1ri1A1 ARG 64 HD3 0.03 -0.05 -0.01 -0.04 3.22 3.15 1ri1A1 GLY 65 H 0.06 0.53 0.39 -0.55 8.43 8.87 1ri1A1 GLY 65 HA2 0.06 -0.00 0.40 -0.51 4.01 3.95 1ri1A1 GLY 65 HA3 0.05 0.11 0.59 -0.51 4.01 4.24 1ri1A1 ASP 66 H 0.06 0.42 -0.11 -0.55 8.40 8.22 1ri1A1 ASP 66 HA 0.06 0.10 0.53 -0.75 4.63 4.57 1ri1A1 ASP 66 HB2 0.08 0.14 0.17 -0.04 2.71 3.06 1ri1A1 ASP 66 HB3 0.09 -0.04 0.04 -0.04 2.70 2.75 1ri1A1 SER 67 H 0.09 0.12 0.33 -0.55 8.46 8.45 1ri1A1 SER 67 HA 0.11 0.16 0.89 -0.75 4.49 4.90 1ri1A1 SER 67 HB2 0.02 0.06 0.16 -0.04 3.95 4.15 1ri1A1 SER 67 HB3 0.07 -0.12 0.24 -0.04 3.93 4.07 1ri1A1 VAL 68 H 0.07 0.59 0.28 -0.55 8.24 8.64 1ri1A1 VAL 68 HA 0.01 0.44 1.20 -0.75 4.13 5.02 1ri1A1 VAL 68 HB -0.38 0.01 0.12 -0.04 2.12 1.83 1ri1A1 VAL 68 HG13 -0.46 -0.03 -0.26 -0.04 0.97 0.17 1ri1A1 VAL 68 HG23 0.03 -0.00 -0.21 -0.04 0.95 0.72 1ri1A1 LEU 69 H -0.36 0.55 0.39 -0.55 8.37 8.41 1ri1A1 LEU 69 HA -0.69 0.25 1.03 -0.75 4.35 4.18 1ri1A1 LEU 69 HB2 -2.51 0.06 -0.01 -0.04 1.64 -0.87 1ri1A1 LEU 69 HB3 -0.73 -0.00 0.23 -0.04 1.64 1.10 1ri1A1 LEU 69 HG -0.48 -0.10 -0.26 -0.04 1.64 0.77 1ri1A1 LEU 69 HD13 -0.71 0.05 -0.09 -0.04 0.93 0.13 1ri1A1 LEU 69 HD23 -0.58 0.01 -0.07 -0.04 0.89 0.21 1ri1A1 ASP 70 H -0.53 0.87 0.32 -0.55 8.40 8.51 1ri1A1 ASP 70 HA -0.12 0.21 0.83 -0.75 4.63 4.80 1ri1A1 ASP 70 HB2 -0.60 0.04 -0.02 -0.04 2.71 2.10 1ri1A1 ASP 70 HB3 -0.15 -0.15 0.22 -0.04 2.70 2.58 1ri1A1 LEU 71 H -0.01 0.79 0.35 -0.55 8.37 8.95 1ri1A1 LEU 71 HA -0.07 0.07 0.81 -0.75 4.35 4.40 1ri1A1 LEU 71 HB2 0.20 -0.02 0.11 -0.04 1.64 1.89 1ri1A1 LEU 71 HB3 0.02 -0.08 -0.00 -0.04 1.64 1.54 1ri1A1 LEU 71 HG -0.06 0.14 -0.05 -0.04 1.64 1.62 1ri1A1 LEU 71 HD13 0.06 0.01 -0.09 -0.04 0.93 0.87 1ri1A1 LEU 71 HD23 -0.24 -0.02 -0.17 -0.04 0.89 0.42 1ri1A1 GLY 72 H -0.02 0.62 0.47 -0.55 8.43 8.95 1ri1A1 GLY 72 HA2 0.07 -0.14 0.50 -0.51 4.01 3.93 1ri1A1 GLY 72 HA3 0.19 0.09 0.56 -0.51 4.01 4.34 1ri1A1 CYS 73 H 0.09 0.38 -0.06 -0.55 8.50 8.37 1ri1A1 CYS 73 HA 0.19 0.05 0.12 -0.75 4.58 4.19 1ri1A1 CYS 73 HB2 0.36 -0.08 -0.03 -0.04 2.97 3.17 1ri1A1 CYS 73 HB3 0.18 0.17 0.13 -0.04 2.97 3.41 1ri1A1 GLY 74 H 0.13 -0.05 -0.53 -0.55 8.43 7.44 1ri1A1 GLY 74 HA2 0.10 -0.02 0.23 -0.51 4.01 3.81 1ri1A1 GLY 74 HA3 0.14 0.13 0.44 -0.51 4.01 4.21 1ri1A1 LYS 75 H 0.09 0.18 0.09 -0.55 8.42 8.23 1ri1A1 LYS 75 HA 0.04 0.30 0.60 -0.75 4.32 4.50 1ri1A1 LYS 75 HB2 0.05 0.02 0.09 -0.04 1.87 1.99 1ri1A1 LYS 75 HB3 0.02 0.07 0.09 -0.04 1.79 1.94 1ri1A1 LYS 75 HG2 0.03 -0.01 -0.00 -0.04 1.46 1.44 1ri1A1 LYS 75 HG3 0.05 -0.11 0.01 -0.04 1.46 1.38 1ri1A1 LYS 75 HD2 0.03 0.03 0.01 -0.04 1.69 1.73 1ri1A1 LYS 75 HD3 0.02 0.05 0.01 -0.04 1.68 1.72 1ri1A1 LYS 75 HE2 0.02 0.05 -0.02 -0.04 2.99 3.00 1ri1A1 LYS 75 HE3 0.02 -0.04 -0.05 -0.04 2.99 2.88 1ri1A1 GLY 76 H 0.17 0.28 -0.91 -0.55 8.43 7.41 1ri1A1 GLY 76 HA2 0.23 0.01 0.21 -0.51 4.01 3.95 1ri1A1 GLY 76 HA3 0.12 0.13 0.35 -0.51 4.01 4.11 1ri1A1 GLY 77 H 0.14 0.13 -0.20 -0.55 8.43 7.96 1ri1A1 GLY 77 HA2 0.09 0.16 0.30 -0.51 4.01 4.05 1ri1A1 GLY 77 HA3 0.12 0.03 0.25 -0.51 4.01 3.89 1ri1A1 ASP 78 H 0.20 0.06 -0.50 -0.55 8.40 7.60 1ri1A1 ASP 78 HA 0.10 0.25 0.95 -0.75 4.63 5.18 1ri1A1 ASP 78 HB2 0.41 0.01 -0.09 -0.04 2.71 2.99 1ri1A1 ASP 78 HB3 0.16 0.01 0.03 -0.04 2.70 2.85 1ri1A1 LEU 79 H 0.12 0.41 -0.17 -0.55 8.37 8.19 1ri1A1 LEU 79 HA 0.08 0.05 0.31 -0.75 4.35 4.03 1ri1A1 LEU 79 HB2 0.07 0.11 0.07 -0.04 1.64 1.85 1ri1A1 LEU 79 HB3 0.12 0.08 -0.11 -0.04 1.64 1.69 1ri1A1 LEU 79 HG -0.09 -0.19 0.01 -0.04 1.64 1.34 1ri1A1 LEU 79 HD13 0.11 0.06 0.02 -0.04 0.93 1.08 1ri1A1 LEU 79 HD23 -0.35 0.01 -0.07 -0.04 0.89 0.44 1ri1A1 LEU 80 H 0.10 0.16 -0.28 -0.55 8.37 7.80 1ri1A1 LEU 80 HA 0.12 0.13 0.36 -0.75 4.35 4.20 1ri1A1 LEU 80 HB2 0.06 -0.01 0.02 -0.04 1.64 1.67 1ri1A1 LEU 80 HB3 0.06 0.05 -0.09 -0.04 1.64 1.61 1ri1A1 LEU 80 HG 0.05 0.05 -0.01 -0.04 1.64 1.68 1ri1A1 LEU 80 HD13 0.05 -0.00 -0.08 -0.04 0.93 0.86 1ri1A1 LEU 80 HD23 0.04 0.01 -0.02 -0.04 0.89 0.88 1ri1A1 LYS 81 H 0.05 0.07 -0.29 -0.55 8.42 7.70 1ri1A1 LYS 81 HA -0.03 0.05 0.33 -0.75 4.32 3.92 1ri1A1 LYS 81 HB2 -0.20 0.09 0.08 -0.04 1.87 1.80 1ri1A1 LYS 81 HB3 -0.20 0.02 -0.01 -0.04 1.79 1.56 1ri1A1 LYS 81 HG2 -0.02 0.03 0.02 -0.04 1.46 1.44 1ri1A1 LYS 81 HG3 0.01 -0.04 0.07 -0.04 1.46 1.46 1ri1A1 LYS 81 HD2 -0.06 -0.06 -0.07 -0.04 1.69 1.46 1ri1A1 LYS 81 HD3 -0.08 -0.01 -0.12 -0.04 1.68 1.44 1ri1A1 LYS 81 HE2 0.03 -0.02 0.07 -0.04 2.99 3.03 1ri1A1 LYS 81 HE3 0.03 0.04 0.02 -0.04 2.99 3.04 1ri1A1 TYR 82 H 0.08 0.55 -0.23 -0.55 8.29 8.14 1ri1A1 TYR 82 HA -0.03 0.04 0.35 -0.75 4.56 4.17 1ri1A1 TYR 82 HB2 -0.20 0.10 0.02 -0.04 3.06 2.94 1ri1A1 TYR 82 HB3 -0.38 -0.03 -0.09 -0.04 2.98 2.44 1ri1A1 TYR 82 HD2 0.02 0.08 -0.19 -0.04 7.15 7.02 1ri1A1 TYR 82 HE2 0.09 -0.04 -0.14 -0.04 6.85 6.71 1ri1A1 GLU 83 H 0.27 0.44 -0.27 -0.55 8.60 8.50 1ri1A1 GLU 83 HA 0.52 -0.02 0.42 -0.75 4.29 4.45 1ri1A1 GLU 83 HB2 0.40 -0.04 0.11 -0.04 2.09 2.52 1ri1A1 GLU 83 HB3 0.19 0.13 0.21 -0.04 1.99 2.48 1ri1A1 GLU 83 HG2 0.07 0.19 0.09 -0.04 2.34 2.65 1ri1A1 GLU 83 HG3 0.10 -0.00 -0.25 -0.04 2.34 2.15 1ri1A1 ARG 84 H 0.08 0.47 -0.17 -0.55 8.46 8.30 1ri1A1 ARG 84 HA 0.06 0.05 0.49 -0.75 4.34 4.19 1ri1A1 ARG 84 HB2 0.01 0.10 0.08 -0.04 1.90 2.05 1ri1A1 ARG 84 HB3 0.02 -0.05 0.02 -0.04 1.80 1.75 1ri1A1 ARG 84 HG2 0.04 -0.03 -0.01 -0.04 1.67 1.63 1ri1A1 ARG 84 HG3 0.04 0.14 -0.02 -0.04 1.67 1.79 1ri1A1 ARG 84 HD2 0.02 -0.01 -0.05 -0.04 3.22 3.13 1ri1A1 ARG 84 HD3 0.02 -0.02 -0.03 -0.04 3.22 3.16 1ri1A1 ALA 85 H 0.03 0.35 -0.25 -0.55 8.40 7.98 1ri1A1 ALA 85 HA 0.01 0.05 0.30 -0.75 4.34 3.94 1ri1A1 ALA 85 HB3 -0.00 0.01 -0.03 -0.04 1.41 1.34 1ri1A1 GLY 86 H 0.09 0.23 -0.97 -0.55 8.43 7.23 1ri1A1 GLY 86 HA2 0.11 0.09 0.25 -0.51 4.01 3.95 1ri1A1 GLY 86 HA3 0.06 -0.02 0.32 -0.51 4.01 3.87 1ri1A1 ILE 87 H 0.07 0.31 -0.18 -0.55 8.25 7.90 1ri1A1 ILE 87 HA 0.06 -0.03 0.59 -0.75 4.18 4.04 1ri1A1 ILE 87 HB 0.00 0.12 0.03 -0.04 1.89 2.00 1ri1A1 ILE 87 HG12 -0.24 0.10 -0.16 -0.04 1.49 1.14 1ri1A1 ILE 87 HG13 -0.38 -0.03 -0.47 -0.04 1.21 0.28 1ri1A1 ILE 87 HG23 0.15 0.02 -0.12 -0.04 0.93 0.94 1ri1A1 ILE 87 HD13 -0.38 0.03 -0.17 -0.04 0.88 0.33 1ri1A1 GLY 88 H 0.06 0.53 0.10 -0.55 8.43 8.57 1ri1A1 GLY 88 HA2 0.15 0.18 0.72 -0.51 4.01 4.55 1ri1A1 GLY 88 HA3 0.09 0.04 0.32 -0.51 4.01 3.95 1ri1A1 GLU 89 H 0.07 0.44 0.26 -0.55 8.60 8.83 1ri1A1 GLU 89 HA 0.21 0.23 0.89 -0.75 4.29 4.87 1ri1A1 GLU 89 HB2 0.14 0.04 -0.13 -0.04 2.09 2.11 1ri1A1 GLU 89 HB3 0.14 -0.12 0.12 -0.04 1.99 2.10 1ri1A1 GLU 89 HG2 0.34 -0.04 -0.19 -0.04 2.34 2.41 1ri1A1 GLU 89 HG3 0.35 0.08 0.03 -0.04 2.34 2.75 1ri1A1 TYR 90 H 0.25 0.83 0.29 -0.55 8.29 9.12 1ri1A1 TYR 90 HA -0.10 0.16 0.98 -0.75 4.56 4.84 1ri1A1 TYR 90 HB2 -0.55 0.02 -0.20 -0.04 3.06 2.30 1ri1A1 TYR 90 HB3 0.12 0.04 -0.02 -0.04 2.98 3.08 1ri1A1 TYR 90 HD2 -0.57 -0.02 -0.23 -0.04 7.15 6.29 1ri1A1 TYR 90 HE2 -0.27 -0.05 -0.17 -0.04 6.85 6.31 1ri1A1 TYR 91 H -0.31 0.82 0.37 -0.55 8.29 8.62 1ri1A1 TYR 91 HA -0.08 0.28 1.07 -0.75 4.56 5.07 1ri1A1 TYR 91 HB2 0.23 0.01 -0.01 -0.04 3.06 3.24 1ri1A1 TYR 91 HB3 -0.31 -0.08 0.18 -0.04 2.98 2.72 1ri1A1 TYR 91 HD2 0.03 0.04 -0.14 -0.04 7.15 7.04 1ri1A1 TYR 91 HE2 -0.08 -0.00 -0.18 -0.04 6.85 6.54 1ri1A1 GLY 92 H -0.24 0.66 0.40 -0.55 8.43 8.71 1ri1A1 GLY 92 HA2 -0.18 0.21 1.13 -0.51 4.01 4.66 1ri1A1 GLY 92 HA3 0.11 -0.06 0.37 -0.51 4.01 3.92 1ri1A1 VAL 93 H -0.02 0.69 0.41 -0.55 8.24 8.78 1ri1A1 VAL 93 HA 0.08 0.42 1.18 -0.75 4.13 5.06 1ri1A1 VAL 93 HB -0.15 -0.10 0.08 -0.04 2.12 1.91 1ri1A1 VAL 93 HG13 -0.09 0.03 -0.13 -0.04 0.97 0.73 1ri1A1 VAL 93 HG23 -0.21 0.03 -0.30 -0.04 0.95 0.43 1ri1A1 ASP 94 H 0.05 0.59 0.40 -0.55 8.40 8.90 1ri1A1 ASP 94 HA -0.02 0.01 0.87 -0.75 4.63 4.74 1ri1A1 ASP 94 HB2 0.10 -0.02 -0.19 -0.04 2.71 2.56 1ri1A1 ASP 94 HB3 0.07 0.12 0.02 -0.04 2.70 2.87 1ri1A1 ILE 95 H -0.05 0.08 0.23 -0.55 8.25 7.97 1ri1A1 ILE 95 HA -0.04 0.20 0.35 -0.75 4.18 3.95 1ri1A1 ILE 95 HB -0.08 -0.04 0.14 -0.04 1.89 1.87 1ri1A1 ILE 95 HG12 -0.03 0.01 -0.11 -0.04 1.49 1.31 1ri1A1 ILE 95 HG13 -0.03 -0.00 -0.11 -0.04 1.21 1.02 1ri1A1 ILE 95 HG23 -0.05 -0.01 -0.03 -0.04 0.93 0.80 1ri1A1 ILE 95 HD13 -0.03 -0.01 -0.01 -0.04 0.88 0.80 1ri1A1 ALA 96 H -0.00 0.01 -0.07 -0.55 8.40 7.79 1ri1A1 ALA 96 HA -0.00 0.19 0.71 -0.75 4.34 4.49 1ri1A1 ALA 96 HB3 0.00 0.01 0.08 -0.04 1.41 1.46 1ri1A1 GLU 97 H 0.00 0.27 0.19 -0.55 8.60 8.52 1ri1A1 GLU 97 HA 0.02 0.11 0.48 -0.75 4.29 4.15 1ri1A1 GLU 97 HB2 0.01 0.01 0.11 -0.04 2.09 2.17 1ri1A1 GLU 97 HB3 0.01 0.04 0.04 -0.04 1.99 2.05 1ri1A1 GLU 97 HG2 0.02 0.00 0.02 -0.04 2.34 2.34 1ri1A1 GLU 97 HG3 0.01 0.06 0.07 -0.04 2.34 2.43 1ri1A1 VAL 98 H 0.00 0.07 -0.13 -0.55 8.24 7.64 1ri1A1 VAL 98 HA -0.00 0.16 0.39 -0.75 4.13 3.92 1ri1A1 VAL 98 HB -0.00 0.04 0.07 -0.04 2.12 2.19 1ri1A1 VAL 98 HG13 0.00 -0.01 -0.05 -0.04 0.97 0.87 1ri1A1 VAL 98 HG23 -0.00 0.03 -0.05 -0.04 0.95 0.89 1ri1A1 SER 99 H 0.01 0.08 -0.43 -0.55 8.46 7.57 1ri1A1 SER 99 HA 0.01 0.15 0.44 -0.75 4.49 4.33 1ri1A1 SER 99 HB2 0.04 0.05 -0.03 -0.04 3.95 3.97 1ri1A1 SER 99 HB3 0.05 -0.02 -0.47 -0.04 3.93 3.45 1ri1A1 ILE 100 H 0.02 0.28 -0.15 -0.55 8.25 7.86 1ri1A1 ILE 100 HA 0.01 0.07 0.33 -0.75 4.18 3.84 1ri1A1 ILE 100 HB 0.02 0.06 0.12 -0.04 1.89 2.05 1ri1A1 ILE 100 HG12 0.06 0.10 0.02 -0.04 1.49 1.63 1ri1A1 ILE 100 HG13 0.08 0.01 -0.12 -0.04 1.21 1.14 1ri1A1 ILE 100 HG23 0.05 0.00 -0.25 -0.04 0.93 0.70 1ri1A1 ILE 100 HD13 0.21 -0.04 -0.11 -0.04 0.88 0.89 1ri1A1 ASN 101 H -0.03 0.51 -0.20 -0.55 8.53 8.26 1ri1A1 ASN 101 HA -0.10 0.04 0.33 -0.75 4.76 4.28 1ri1A1 ASN 101 HB2 -0.03 0.09 0.02 -0.04 2.88 2.92 1ri1A1 ASN 101 HB3 -0.04 0.00 0.05 -0.04 2.79 2.76 1ri1A1 ASN 101 HD21 -0.00 -0.10 -0.07 -0.04 7.03 6.81 1ri1A1 ASN 101 HD22 -0.01 -0.05 -0.03 -0.04 7.74 7.62 1ri1A1 ASP 102 H -0.05 0.21 -0.57 -0.55 8.40 7.44 1ri1A1 ASP 102 HA -0.05 0.06 0.50 -0.75 4.63 4.38 1ri1A1 ASP 102 HB2 -0.02 0.06 0.20 -0.04 2.71 2.91 1ri1A1 ASP 102 HB3 -0.02 0.01 0.01 -0.04 2.70 2.66 1ri1A1 ALA 103 H -0.14 0.51 -0.11 -0.55 8.40 8.12 1ri1A1 ALA 103 HA -0.08 0.13 0.18 -0.75 4.34 3.81 1ri1A1 ALA 103 HB3 -0.11 0.01 -0.01 -0.04 1.41 1.25 1ri1A1 ARG 104 H -0.36 0.36 -0.40 -0.55 8.46 7.51 1ri1A1 ARG 104 HA -0.59 0.05 0.43 -0.75 4.34 3.48 1ri1A1 ARG 104 HB2 -0.19 0.13 0.13 -0.04 1.90 1.93 1ri1A1 ARG 104 HB3 -0.14 -0.00 -0.06 -0.04 1.80 1.55 1ri1A1 ARG 104 HG2 -0.63 -0.06 -0.08 -0.04 1.67 0.86 1ri1A1 ARG 104 HG3 -0.24 -0.00 -0.19 -0.04 1.67 1.20 1ri1A1 ARG 104 HD2 -0.04 -0.00 -0.05 -0.04 3.22 3.09 1ri1A1 ARG 104 HD3 -0.01 0.03 -0.03 -0.04 3.22 3.16 1ri1A1 VAL 105 H -0.13 0.44 -0.08 -0.55 8.24 7.91 1ri1A1 VAL 105 HA -0.06 0.04 0.38 -0.75 4.13 3.73 1ri1A1 VAL 105 HB -0.06 0.08 0.15 -0.04 2.12 2.25 1ri1A1 VAL 105 HG13 -0.03 -0.00 -0.10 -0.04 0.97 0.80 1ri1A1 VAL 105 HG23 -0.05 0.08 0.09 -0.04 0.95 1.04 1ri1A1 ARG 106 H -0.08 0.44 -0.24 -0.55 8.46 8.03 1ri1A1 ARG 106 HA -0.02 0.06 0.28 -0.75 4.34 3.90 1ri1A1 ARG 106 HB2 -0.02 0.14 0.12 -0.04 1.90 2.10 1ri1A1 ARG 106 HB3 -0.02 0.02 0.04 -0.04 1.80 1.80 1ri1A1 ARG 106 HG2 0.01 -0.04 -0.13 -0.04 1.67 1.47 1ri1A1 ARG 106 HG3 0.00 -0.01 0.00 -0.04 1.67 1.62 1ri1A1 ARG 106 HD2 0.04 0.10 0.01 -0.04 3.22 3.33 1ri1A1 ARG 106 HD3 0.04 -0.09 -0.04 -0.04 3.22 3.09 1ri1A1 ALA 107 H -0.06 0.41 -0.30 -0.55 8.40 7.90 1ri1A1 ALA 107 HA -0.02 -0.02 0.28 -0.75 4.34 3.83 1ri1A1 ALA 107 HB3 0.14 -0.00 0.06 -0.04 1.41 1.57 1ri1A1 ARG 108 H -0.05 0.53 -0.31 -0.55 8.46 8.08 1ri1A1 ARG 108 HA -0.04 -0.01 0.45 -0.75 4.34 3.99 1ri1A1 ARG 108 HB2 -0.04 -0.05 0.09 -0.04 1.90 1.86 1ri1A1 ARG 108 HB3 -0.04 0.10 0.19 -0.04 1.80 2.01 1ri1A1 ARG 108 HG2 -0.03 0.01 -0.16 -0.04 1.67 1.45 1ri1A1 ARG 108 HG3 -0.03 -0.05 0.06 -0.04 1.67 1.60 1ri1A1 ARG 108 HD2 -0.03 -0.00 -0.03 -0.04 3.22 3.12 1ri1A1 ARG 108 HD3 -0.02 -0.05 -0.02 -0.04 3.22 3.08 1ri1A1 ASN 109 H -0.04 0.47 -0.36 -0.55 8.53 8.06 1ri1A1 ASN 109 HA -0.03 0.13 0.92 -0.75 4.76 5.03 1ri1A1 ASN 109 HB2 -0.02 0.02 0.15 -0.04 2.88 2.99 1ri1A1 ASN 109 HB3 -0.02 -0.09 0.15 -0.04 2.79 2.79 1ri1A1 ASN 109 HD21 -0.02 -0.10 -0.03 -0.04 7.03 6.83 1ri1A1 ASN 109 HD22 -0.03 -0.01 -0.07 -0.04 7.74 7.59 1ri1A1 MET 110 H -0.05 0.42 -0.20 -0.55 8.47 8.08 1ri1A1 MET 110 HA -0.03 0.03 0.59 -0.75 4.52 4.35 1ri1A1 MET 110 HB2 -0.03 -0.11 -0.02 -0.04 2.15 1.95 1ri1A1 MET 110 HB3 -0.03 0.21 -0.27 -0.04 2.03 1.91 1ri1A1 MET 110 HG2 -0.08 0.21 -0.03 -0.04 2.63 2.69 1ri1A1 MET 110 HG3 -0.13 -0.06 -0.44 -0.04 2.56 1.89 1ri1A1 MET 110 HE3 0.02 0.01 -0.27 -0.04 2.10 1.82 1ri1A1 LYS 111 H -0.03 0.13 0.07 -0.55 8.42 8.03 1ri1A1 LYS 111 HA -0.05 0.10 0.54 -0.75 4.32 4.16 1ri1A1 LYS 111 HB2 -0.01 -0.02 0.21 -0.04 1.87 2.01 1ri1A1 LYS 111 HB3 -0.02 0.03 0.07 -0.04 1.79 1.82 1ri1A1 LYS 111 HG2 -0.02 0.02 0.01 -0.04 1.46 1.44 1ri1A1 LYS 111 HG3 -0.02 -0.04 0.01 -0.04 1.46 1.37 1ri1A1 LYS 111 HD2 -0.00 0.01 0.03 -0.04 1.69 1.68 1ri1A1 LYS 111 HD3 -0.01 -0.00 0.01 -0.04 1.68 1.64 1ri1A1 LYS 111 HE2 -0.01 0.02 0.04 -0.04 2.99 3.00 1ri1A1 LYS 111 HE3 -0.00 -0.01 0.06 -0.04 2.99 3.00 1ri1A1 ARG 112 H -0.13 0.39 0.25 -0.55 8.46 8.41 1ri1A1 ARG 112 HA -0.17 0.14 0.89 -0.75 4.34 4.44 1ri1A1 ARG 112 HB2 -1.20 -0.11 0.04 -0.04 1.90 0.60 1ri1A1 ARG 112 HB3 -0.42 -0.02 -0.19 -0.04 1.80 1.13 1ri1A1 ARG 112 HG2 -0.24 0.16 0.09 -0.04 1.67 1.64 1ri1A1 ARG 112 HG3 -0.38 0.03 -0.09 -0.04 1.67 1.19 1ri1A1 ARG 112 HD2 -0.65 -0.03 -0.04 -0.04 3.22 2.46 1ri1A1 ARG 112 HD3 -0.30 -0.06 -0.01 -0.04 3.22 2.80 1ri1A1 ARG 113 H -0.08 0.15 0.15 -0.55 8.46 8.13 1ri1A1 ARG 113 HA -0.04 0.18 0.85 -0.75 4.34 4.57 1ri1A1 ARG 113 HB2 0.10 0.06 0.06 -0.04 1.90 2.08 1ri1A1 ARG 113 HB3 0.05 -0.00 0.13 -0.04 1.80 1.94 1ri1A1 ARG 113 HG2 0.01 0.01 -0.08 -0.04 1.67 1.56 1ri1A1 ARG 113 HG3 0.01 -0.06 -0.21 -0.04 1.67 1.36 1ri1A1 ARG 113 HD2 0.04 -0.01 0.00 -0.04 3.22 3.21 1ri1A1 ARG 113 HD3 0.03 -0.03 -0.03 -0.04 3.22 3.14 1ri1A1 PHE 114 H -0.43 -0.05 -0.04 -0.55 8.34 7.27 1ri1A1 PHE 114 HA 0.02 0.32 0.96 -0.75 4.62 5.17 1ri1A1 PHE 114 HB2 0.06 -0.04 -0.64 -0.04 3.15 2.49 1ri1A1 PHE 114 HB3 0.06 0.39 -0.21 -0.04 3.06 3.25 1ri1A1 PHE 114 HD2 0.04 0.09 -0.33 -0.04 7.28 7.04 1ri1A1 PHE 114 HE2 -0.08 -0.04 -0.12 -0.04 7.38 7.09 1ri1A1 PHE 114 HZ -0.08 -0.02 -0.06 -0.04 7.32 7.12 1ri1A1 LYS 115 H 0.15 0.44 0.29 -0.55 8.42 8.75 1ri1A1 LYS 115 HA -0.11 0.07 0.59 -0.75 4.32 4.12 1ri1A1 LYS 115 HB2 0.04 -0.02 0.21 -0.04 1.87 2.06 1ri1A1 LYS 115 HB3 -0.28 0.03 0.05 -0.04 1.79 1.54 1ri1A1 LYS 115 HG2 -0.06 0.01 0.04 -0.04 1.46 1.41 1ri1A1 LYS 115 HG3 0.02 0.07 0.10 -0.04 1.46 1.61 1ri1A1 LYS 115 HD2 0.08 -0.00 0.05 -0.04 1.69 1.78 1ri1A1 LYS 115 HD3 0.03 -0.02 0.03 -0.04 1.68 1.68 1ri1A1 LYS 115 HE2 0.00 -0.01 0.02 -0.04 2.99 2.96 1ri1A1 LYS 115 HE3 0.02 0.04 0.03 -0.04 2.99 3.04 1ri1A1 VAL 116 H -0.24 0.16 0.22 -0.55 8.24 7.82 1ri1A1 VAL 116 HA 0.00 0.37 1.14 -0.75 4.13 4.88 1ri1A1 VAL 116 HB -0.10 -0.08 -0.01 -0.04 2.12 1.89 1ri1A1 VAL 116 HG13 0.15 0.02 -0.13 -0.04 0.97 0.96 1ri1A1 VAL 116 HG23 -0.01 0.01 0.02 -0.04 0.95 0.93 1ri1A1 PHE 117 H -0.30 0.49 0.38 -0.55 8.34 8.36 1ri1A1 PHE 117 HA -0.22 0.11 0.74 -0.75 4.62 4.50 1ri1A1 PHE 117 HB2 -1.28 -0.07 0.12 -0.04 3.15 1.89 1ri1A1 PHE 117 HB3 -1.13 0.01 -0.00 -0.04 3.06 1.90 1ri1A1 PHE 117 HD2 -0.17 -0.03 -0.11 -0.04 7.28 6.93 1ri1A1 PHE 117 HE2 -0.03 -0.02 -0.06 -0.04 7.38 7.23 1ri1A1 PHE 117 HZ -0.02 -0.01 -0.04 -0.04 7.32 7.20 1ri1A1 PHE 118 H 0.19 0.22 0.16 -0.55 8.34 8.36 1ri1A1 PHE 118 HA 0.18 0.31 1.23 -0.75 4.62 5.59 1ri1A1 PHE 118 HB2 0.07 0.00 0.04 -0.04 3.15 3.22 1ri1A1 PHE 118 HB3 0.10 -0.05 -0.03 -0.04 3.06 3.03 1ri1A1 PHE 118 HD2 0.10 -0.01 -0.09 -0.04 7.28 7.23 1ri1A1 PHE 118 HE2 0.12 -0.01 -0.11 -0.04 7.38 7.35 1ri1A1 PHE 118 HZ 0.01 0.04 -0.09 -0.04 7.32 7.24 1ri1A1 ARG 119 H 0.29 0.59 0.35 -0.55 8.46 9.13 1ri1A1 ARG 119 HA 0.17 0.12 0.77 -0.75 4.34 4.65 1ri1A1 ARG 119 HB2 0.41 0.03 -0.25 -0.04 1.90 2.05 1ri1A1 ARG 119 HB3 0.11 -0.07 -0.03 -0.04 1.80 1.77 1ri1A1 ARG 119 HG2 0.08 -0.01 -0.10 -0.04 1.67 1.60 1ri1A1 ARG 119 HG3 0.15 0.07 0.06 -0.04 1.67 1.90 1ri1A1 ARG 119 HD2 0.18 0.03 -0.10 -0.04 3.22 3.29 1ri1A1 ARG 119 HD3 0.02 -0.04 -0.13 -0.04 3.22 3.02 1ri1A1 ALA 120 H 0.09 0.21 0.10 -0.55 8.40 8.24 1ri1A1 ALA 120 HA 0.05 0.27 1.00 -0.75 4.34 4.91 1ri1A1 ALA 120 HB3 0.04 -0.02 0.03 -0.04 1.41 1.42 1ri1A1 GLN 121 H -0.01 0.37 0.08 -0.55 8.47 8.36 1ri1A1 GLN 121 HA -0.01 0.11 0.43 -0.75 4.36 4.13 1ri1A1 GLN 121 HB2 -0.02 -0.01 0.08 -0.04 2.15 2.16 1ri1A1 GLN 121 HB3 -0.00 0.12 -0.38 -0.04 2.02 1.71 1ri1A1 GLN 121 HG2 -0.06 -0.06 -0.37 -0.04 2.40 1.87 1ri1A1 GLN 121 HG3 -0.08 -0.00 -0.67 -0.04 2.39 1.59 1ri1A1 GLN 121 HE21 -0.07 -0.00 -0.04 -0.04 6.97 6.82 1ri1A1 GLN 121 HE22 -0.08 0.19 -0.21 -0.04 7.69 7.55 1ri1A1 ASP 122 H -0.04 0.26 0.07 -0.55 8.40 8.14 1ri1A1 ASP 122 HA -0.11 0.00 0.70 -0.75 4.63 4.47 1ri1A1 ASP 122 HB2 -0.03 0.06 0.06 -0.04 2.71 2.76 1ri1A1 ASP 122 HB3 -0.03 0.11 0.11 -0.04 2.70 2.85 1ri1A1 SER 123 H -0.31 0.11 0.07 -0.55 8.46 7.78 1ri1A1 SER 123 HA -0.15 0.34 0.62 -0.75 4.49 4.55 1ri1A1 SER 123 HB2 -0.21 0.10 0.05 -0.04 3.95 3.85 1ri1A1 SER 123 HB3 -0.23 0.02 -0.11 -0.04 3.93 3.57 1ri1A1 TYR 124 H -0.08 -0.14 -0.23 -0.55 8.29 7.29 1ri1A1 TYR 124 HA -0.01 0.31 1.00 -0.75 4.56 5.09 1ri1A1 TYR 124 HB2 -0.01 -0.07 0.02 -0.04 3.06 2.96 1ri1A1 TYR 124 HB3 -0.07 0.04 -0.03 -0.04 2.98 2.88 1ri1A1 TYR 124 HD2 0.10 0.15 -0.19 -0.04 7.15 7.17 1ri1A1 TYR 124 HE2 0.26 0.10 -0.11 -0.04 6.85 7.06 1ri1A1 GLY 125 H 0.06 -0.03 -0.02 -0.55 8.43 7.88 1ri1A1 GLY 125 HA2 -0.00 0.25 0.82 -0.51 4.01 4.57 1ri1A1 GLY 125 HA3 0.01 -0.02 0.34 -0.51 4.01 3.82 1ri1A1 ARG 126 H 0.01 0.32 -0.46 -0.55 8.46 7.77 1ri1A1 ARG 126 HA 0.02 0.06 0.61 -0.75 4.34 4.28 1ri1A1 ARG 126 HB2 -0.02 -0.00 0.02 -0.04 1.90 1.86 1ri1A1 ARG 126 HB3 0.01 0.15 -0.02 -0.04 1.80 1.89 1ri1A1 ARG 126 HG2 0.00 0.07 -0.18 -0.04 1.67 1.52 1ri1A1 ARG 126 HG3 -0.00 -0.09 -0.00 -0.04 1.67 1.53 1ri1A1 ARG 126 HD2 0.02 0.04 0.06 -0.04 3.22 3.30 1ri1A1 ARG 126 HD3 0.01 0.04 0.14 -0.04 3.22 3.37 1ri1A1 HIS 127 H 0.12 0.07 0.04 -0.55 8.41 8.09 1ri1A1 HIS 127 HA -0.00 0.06 0.28 -0.75 4.63 4.21 1ri1A1 HIS 127 HB2 -0.01 -0.01 0.07 -0.04 3.26 3.28 1ri1A1 HIS 127 HB3 -0.01 -0.03 0.02 -0.04 3.20 3.14 1ri1A1 HIS 127 HD2 0.00 -0.04 -0.25 -0.04 6.97 6.64 1ri1A1 HIS 127 HE1 -0.01 0.05 -0.06 -0.04 7.75 7.69 1ri1A1 MET 128 H -0.60 0.24 0.12 -0.55 8.47 7.68 1ri1A1 MET 128 HA -0.16 0.11 0.77 -0.75 4.52 4.48 1ri1A1 MET 128 HB2 -0.15 0.13 -0.15 -0.04 2.15 1.93 1ri1A1 MET 128 HB3 -0.17 0.02 0.06 -0.04 2.03 1.90 1ri1A1 MET 128 HG2 -0.40 -0.01 -0.27 -0.04 2.63 1.91 1ri1A1 MET 128 HG3 -0.19 -0.05 -0.11 -0.04 2.56 2.18 1ri1A1 MET 128 HE3 -0.37 0.03 -0.08 -0.04 2.10 1.64 1ri1A1 ASP 129 H -0.05 0.22 -0.05 -0.55 8.40 7.97 1ri1A1 ASP 129 HA 0.09 0.21 0.70 -0.75 4.63 4.87 1ri1A1 ASP 129 HB2 0.06 -0.01 -0.18 -0.04 2.71 2.54 1ri1A1 ASP 129 HB3 0.06 -0.00 0.12 -0.04 2.70 2.83 1ri1A1 LEU 130 H 0.99 0.27 -0.01 -0.55 8.37 9.07 1ri1A1 LEU 130 HA 0.01 0.13 0.59 -0.75 4.35 4.33 1ri1A1 LEU 130 HB2 0.19 0.14 0.00 -0.04 1.64 1.94 1ri1A1 LEU 130 HB3 -0.14 -0.00 0.07 -0.04 1.64 1.53 1ri1A1 LEU 130 HG -0.36 -0.05 -0.13 -0.04 1.64 1.06 1ri1A1 LEU 130 HD13 -0.75 0.02 -0.10 -0.04 0.93 0.06 1ri1A1 LEU 130 HD23 -0.31 0.00 -0.14 -0.04 0.89 0.40 1ri1A1 GLY 131 H 0.01 0.07 -0.28 -0.55 8.43 7.68 1ri1A1 GLY 131 HA2 -0.04 -0.00 0.28 -0.51 4.01 3.75 1ri1A1 GLY 131 HA3 -0.02 0.18 0.70 -0.51 4.01 4.36 1ri1A1 LYS 132 H -0.04 0.15 -0.41 -0.55 8.42 7.57 1ri1A1 LYS 132 HA -0.13 0.23 1.00 -0.75 4.32 4.66 1ri1A1 LYS 132 HB2 -0.32 0.09 0.11 -0.04 1.87 1.71 1ri1A1 LYS 132 HB3 -0.17 -0.02 -0.02 -0.04 1.79 1.53 1ri1A1 LYS 132 HG2 -0.14 -0.00 -0.04 -0.04 1.46 1.24 1ri1A1 LYS 132 HG3 -0.51 0.01 -0.16 -0.04 1.46 0.76 1ri1A1 LYS 132 HD2 -0.20 -0.03 -0.04 -0.04 1.69 1.39 1ri1A1 LYS 132 HD3 -0.21 -0.05 -0.08 -0.04 1.68 1.31 1ri1A1 LYS 132 HE2 -0.94 0.02 -0.07 -0.04 2.99 1.96 1ri1A1 LYS 132 HE3 -0.41 0.08 0.01 -0.04 2.99 2.63 1ri1A1 GLU 133 H -0.20 0.07 0.11 -0.55 8.60 8.03 1ri1A1 GLU 133 HA 0.02 0.21 0.58 -0.75 4.29 4.35 1ri1A1 GLU 133 HB2 -0.09 -0.07 -0.07 -0.04 2.09 1.82 1ri1A1 GLU 133 HB3 -0.02 0.00 -0.31 -0.04 1.99 1.62 1ri1A1 GLU 133 HG2 -0.09 0.18 -0.23 -0.04 2.34 2.16 1ri1A1 GLU 133 HG3 -0.09 -0.09 -0.08 -0.04 2.34 2.03 1ri1A1 PHE 134 H 0.20 0.43 0.25 -0.55 8.34 8.67 1ri1A1 PHE 134 HA 0.00 0.10 0.86 -0.75 4.62 4.83 1ri1A1 PHE 134 HB2 -0.01 0.07 -0.04 -0.04 3.15 3.12 1ri1A1 PHE 134 HB3 -0.01 0.10 0.01 -0.04 3.06 3.12 1ri1A1 PHE 134 HD2 0.00 0.10 -0.37 -0.04 7.28 6.97 1ri1A1 PHE 134 HE2 0.05 -0.01 -0.17 -0.04 7.38 7.20 1ri1A1 PHE 134 HZ -0.06 -0.06 -0.14 -0.04 7.32 7.03 1ri1A1 ASP 135 H 0.15 0.23 0.36 -0.55 8.40 8.59 1ri1A1 ASP 135 HA 0.09 0.10 0.65 -0.75 4.63 4.72 1ri1A1 ASP 135 HB2 0.11 -0.03 0.28 -0.04 2.71 3.03 1ri1A1 ASP 135 HB3 0.11 0.06 0.14 -0.04 2.70 2.97 1ri1A1 VAL 136 H 0.15 0.39 0.29 -0.55 8.24 8.53 1ri1A1 VAL 136 HA 0.14 0.35 1.12 -0.75 4.13 4.99 1ri1A1 VAL 136 HB 0.11 -0.08 0.06 -0.04 2.12 2.16 1ri1A1 VAL 136 HG13 0.10 -0.03 -0.23 -0.04 0.97 0.78 1ri1A1 VAL 136 HG23 0.16 -0.00 -0.12 -0.04 0.95 0.95 1ri1A1 ILE 137 H 0.10 0.75 0.38 -0.55 8.25 8.93 1ri1A1 ILE 137 HA -0.10 0.09 1.12 -0.75 4.18 4.53 1ri1A1 ILE 137 HB 0.13 -0.02 0.20 -0.04 1.89 2.16 1ri1A1 ILE 137 HG12 -0.16 -0.03 -0.05 -0.04 1.49 1.21 1ri1A1 ILE 137 HG13 0.03 0.02 -0.28 -0.04 1.21 0.94 1ri1A1 ILE 137 HG23 -0.05 -0.01 -0.07 -0.04 0.93 0.77 1ri1A1 ILE 137 HD13 -0.06 0.01 -0.21 -0.04 0.88 0.58 1ri1A1 SER 138 H -0.05 0.46 0.25 -0.55 8.46 8.57 1ri1A1 SER 138 HA -0.03 0.30 1.05 -0.75 4.49 5.05 1ri1A1 SER 138 HB2 0.11 0.04 -0.08 -0.04 3.95 3.98 1ri1A1 SER 138 HB3 0.08 -0.03 0.02 -0.04 3.93 3.96 1ri1A1 SER 139 H -0.09 0.55 0.17 -0.55 8.46 8.55 1ri1A1 SER 139 HA 0.15 0.37 0.75 -0.75 4.49 5.01 1ri1A1 SER 139 HB2 0.32 0.09 -0.07 -0.04 3.95 4.25 1ri1A1 SER 139 HB3 0.05 -0.02 0.17 -0.04 3.93 4.09 1ri1A1 GLN 140 H 0.11 0.29 -0.03 -0.55 8.47 8.28 1ri1A1 GLN 140 HA -0.14 0.01 0.98 -0.75 4.36 4.45 1ri1A1 GLN 140 HB2 0.11 0.05 0.05 -0.04 2.15 2.31 1ri1A1 GLN 140 HB3 -0.17 0.03 -0.03 -0.04 2.02 1.81 1ri1A1 GLN 140 HG2 0.04 -0.03 -0.14 -0.04 2.40 2.24 1ri1A1 GLN 140 HG3 0.00 0.05 -0.09 -0.04 2.39 2.31 1ri1A1 GLN 140 HE21 -0.16 0.02 -0.39 -0.04 6.97 6.40 1ri1A1 GLN 140 HE22 -0.06 -0.07 -0.27 -0.04 7.69 7.25 1ri1A1 PHE 141 H -0.23 0.36 0.39 -0.55 8.34 8.31 1ri1A1 PHE 141 HA 0.16 0.11 0.47 -0.75 4.62 4.60 1ri1A1 PHE 141 HB2 0.11 0.19 -0.02 -0.04 3.15 3.39 1ri1A1 PHE 141 HB3 0.11 -0.04 0.22 -0.04 3.06 3.31 1ri1A1 PHE 141 HD2 -0.18 0.02 -0.10 -0.04 7.28 6.97 1ri1A1 PHE 141 HE2 -0.63 0.01 -0.09 -0.04 7.38 6.63 1ri1A1 PHE 141 HZ 0.12 -0.00 -0.02 -0.04 7.32 7.38 1ri1A1 SER 142 H 0.31 -0.12 -0.09 -0.55 8.46 8.02 1ri1A1 SER 142 HA 0.17 0.11 0.69 -0.75 4.49 4.71 1ri1A1 SER 142 HB2 0.35 0.23 -0.19 -0.04 3.95 4.30 1ri1A1 SER 142 HB3 0.33 0.05 -0.31 -0.04 3.93 3.97 1ri1A1 PHE 143 H 0.36 0.05 0.07 -0.55 8.34 8.27 1ri1A1 PHE 143 HA -0.29 0.16 0.37 -0.75 4.62 4.11 1ri1A1 PHE 143 HB2 0.16 0.09 0.08 -0.04 3.15 3.43 1ri1A1 PHE 143 HB3 0.16 -0.02 -0.02 -0.04 3.06 3.14 1ri1A1 PHE 143 HD2 0.03 -0.03 -0.09 -0.04 7.28 7.15 1ri1A1 PHE 143 HE2 -0.02 0.05 -0.10 -0.04 7.38 7.26 1ri1A1 PHE 143 HZ -0.21 0.07 -0.12 -0.04 7.32 7.02 1ri1A1 HIS 144 H 0.30 0.07 -0.22 -0.55 8.41 8.02 1ri1A1 HIS 144 HA -0.10 0.10 0.38 -0.75 4.63 4.25 1ri1A1 HIS 144 HB2 -0.17 0.37 0.07 -0.04 3.26 3.49 1ri1A1 HIS 144 HB3 -0.14 -0.03 0.09 -0.04 3.20 3.08 1ri1A1 HIS 144 HD2 -0.48 -0.06 -0.08 -0.04 6.97 6.31 1ri1A1 HIS 144 HE1 0.06 0.09 -0.51 -0.04 7.75 7.35 1ri1A1 TYR 145 H -0.59 0.32 -0.47 -0.55 8.29 7.00 1ri1A1 TYR 145 HA 0.24 0.07 0.39 -0.75 4.56 4.50 1ri1A1 TYR 145 HB2 0.14 0.13 0.05 -0.04 3.06 3.33 1ri1A1 TYR 145 HB3 0.15 -0.04 0.11 -0.04 2.98 3.16 1ri1A1 TYR 145 HD2 0.05 0.08 0.10 -0.04 7.15 7.34 1ri1A1 TYR 145 HE2 0.01 0.16 0.08 -0.04 6.85 7.06 1ri1A1 ALA 146 H -0.39 0.58 -0.54 -0.55 8.40 7.51 1ri1A1 ALA 146 HA -0.24 0.01 0.47 -0.75 4.34 3.82 1ri1A1 ALA 146 HB3 -1.15 0.03 0.05 -0.04 1.41 0.30 1ri1A1 PHE 147 H 0.18 0.51 -0.35 -0.55 8.34 8.14 1ri1A1 PHE 147 HA -0.22 0.10 0.56 -0.75 4.62 4.30 1ri1A1 PHE 147 HB2 -0.01 0.22 0.05 -0.04 3.15 3.36 1ri1A1 PHE 147 HB3 -0.06 -0.01 0.17 -0.04 3.06 3.12 1ri1A1 PHE 147 HD2 -0.21 0.03 0.07 -0.04 7.28 7.13 1ri1A1 PHE 147 HE2 -0.36 0.07 -0.12 -0.04 7.38 6.93 1ri1A1 PHE 147 HZ -0.06 0.00 -0.12 -0.04 7.32 7.10 1ri1A1 SER 148 H -0.30 0.19 -0.73 -0.55 8.46 7.08 1ri1A1 SER 148 HA -1.65 0.05 0.31 -0.75 4.49 2.44 1ri1A1 SER 148 HB2 -0.45 0.05 0.07 -0.04 3.95 3.58 1ri1A1 SER 148 HB3 -0.25 -0.04 0.06 -0.04 3.93 3.66 1ri1A1 THR 149 H -0.21 0.17 -0.02 -0.55 8.28 7.66 1ri1A1 THR 149 HA -0.11 0.28 0.65 -0.75 4.39 4.46 1ri1A1 THR 149 HB -0.07 -0.02 0.18 -0.04 4.32 4.37 1ri1A1 THR 149 HG23 -0.10 0.04 -0.19 -0.04 1.22 0.94 1ri1A1 SER 150 H -0.06 0.21 0.14 -0.55 8.46 8.20 1ri1A1 SER 150 HA -0.10 0.12 0.39 -0.75 4.49 4.15 1ri1A1 SER 150 HB2 -0.04 0.06 0.13 -0.04 3.95 4.05 1ri1A1 SER 150 HB3 -0.05 -0.03 0.15 -0.04 3.93 3.95 1ri1A1 GLU 151 H -0.07 0.08 -0.10 -0.55 8.60 7.96 1ri1A1 GLU 151 HA -0.07 0.13 0.41 -0.75 4.29 4.01 1ri1A1 GLU 151 HB2 -0.05 -0.03 0.04 -0.04 2.09 2.00 1ri1A1 GLU 151 HB3 -0.04 0.07 -0.00 -0.04 1.99 1.98 1ri1A1 GLU 151 HG2 -0.04 -0.08 0.07 -0.04 2.34 2.24 1ri1A1 GLU 151 HG3 -0.03 0.07 0.02 -0.04 2.34 2.35 1ri1A1 SER 152 H -0.11 -0.02 -0.29 -0.55 8.46 7.50 1ri1A1 SER 152 HA -0.07 0.05 0.38 -0.75 4.49 4.08 1ri1A1 SER 152 HB2 -0.12 -0.10 0.10 -0.04 3.95 3.79 1ri1A1 SER 152 HB3 -0.19 0.16 0.14 -0.04 3.93 4.00 1ri1A1 LEU 153 H -0.25 0.40 -0.03 -0.55 8.37 7.94 1ri1A1 LEU 153 HA -0.50 0.01 0.34 -0.75 4.35 3.44 1ri1A1 LEU 153 HB2 -0.60 0.01 0.05 -0.04 1.64 1.06 1ri1A1 LEU 153 HB3 -0.31 0.08 0.10 -0.04 1.64 1.46 1ri1A1 LEU 153 HG -0.43 0.02 -0.30 -0.04 1.64 0.90 1ri1A1 LEU 153 HD13 -1.24 -0.03 -0.08 -0.04 0.93 -0.46 1ri1A1 LEU 153 HD23 -0.35 -0.01 -0.13 -0.04 0.89 0.35 1ri1A1 ASP 154 H -0.17 0.36 -0.29 -0.55 8.40 7.75 1ri1A1 ASP 154 HA -0.14 0.00 0.34 -0.75 4.63 4.08 1ri1A1 ASP 154 HB2 -0.10 0.04 0.14 -0.04 2.71 2.75 1ri1A1 ASP 154 HB3 -0.07 0.08 0.16 -0.04 2.70 2.83 1ri1A1 ILE 155 H -0.07 0.65 -0.01 -0.55 8.25 8.26 1ri1A1 ILE 155 HA -0.00 -0.02 0.42 -0.75 4.18 3.82 1ri1A1 ILE 155 HB -0.02 0.23 0.23 -0.04 1.89 2.29 1ri1A1 ILE 155 HG12 0.00 -0.05 -0.03 -0.04 1.49 1.37 1ri1A1 ILE 155 HG13 -0.03 0.29 0.06 -0.04 1.21 1.49 1ri1A1 ILE 155 HG23 0.03 -0.05 -0.39 -0.04 0.93 0.48 1ri1A1 ILE 155 HD13 -0.01 -0.06 -0.17 -0.04 0.88 0.61 1ri1A1 ALA 156 H -0.06 0.77 0.09 -0.55 8.40 8.65 1ri1A1 ALA 156 HA 0.09 0.05 0.46 -0.75 4.34 4.19 1ri1A1 ALA 156 HB3 -0.02 -0.02 0.18 -0.04 1.41 1.51 1ri1A1 GLN 157 H -0.11 0.82 -0.03 -0.55 8.47 8.60 1ri1A1 GLN 157 HA 0.10 -0.03 0.49 -0.75 4.36 4.16 1ri1A1 GLN 157 HB2 -0.17 0.10 0.06 -0.04 2.15 2.11 1ri1A1 GLN 157 HB3 -0.16 -0.02 -0.04 -0.04 2.02 1.76 1ri1A1 GLN 157 HG2 -0.62 -0.09 -0.02 -0.04 2.40 1.63 1ri1A1 GLN 157 HG3 -0.38 0.17 -0.02 -0.04 2.39 2.12 1ri1A1 GLN 157 HE21 -0.87 0.31 0.16 -0.04 6.97 6.54 1ri1A1 GLN 157 HE22 -2.07 -0.07 -0.03 -0.04 7.69 5.48 1ri1A1 ARG 158 H -0.02 0.49 -0.28 -0.55 8.46 8.10 1ri1A1 ARG 158 HA 0.01 0.04 0.55 -0.75 4.34 4.19 1ri1A1 ARG 158 HB2 0.01 0.14 0.24 -0.04 1.90 2.25 1ri1A1 ARG 158 HB3 0.02 -0.08 0.05 -0.04 1.80 1.75 1ri1A1 ARG 158 HG2 -0.00 -0.04 0.03 -0.04 1.67 1.62 1ri1A1 ARG 158 HG3 -0.02 0.30 0.13 -0.04 1.67 2.03 1ri1A1 ARG 158 HD2 -0.01 -0.06 -0.10 -0.04 3.22 3.01 1ri1A1 ARG 158 HD3 0.02 -0.05 -0.01 -0.04 3.22 3.14 1ri1A1 ASN 159 H 0.01 0.56 -0.05 -0.55 8.53 8.50 1ri1A1 ASN 159 HA 0.02 0.05 0.46 -0.75 4.76 4.54 1ri1A1 ASN 159 HB2 0.01 0.17 0.16 -0.04 2.88 3.19 1ri1A1 ASN 159 HB3 -0.07 -0.09 0.00 -0.04 2.79 2.60 1ri1A1 ASN 159 HD21 -0.04 0.11 -0.36 -0.04 7.03 6.71 1ri1A1 ASN 159 HD22 -0.00 0.28 -0.28 -0.04 7.74 7.70 1ri1A1 ILE 160 H -0.03 0.35 -0.32 -0.55 8.25 7.70 1ri1A1 ILE 160 HA -0.16 0.04 0.46 -0.75 4.18 3.76 1ri1A1 ILE 160 HB -0.20 0.10 0.15 -0.04 1.89 1.90 1ri1A1 ILE 160 HG12 -1.43 -0.08 -0.06 -0.04 1.49 -0.11 1ri1A1 ILE 160 HG13 -0.54 -0.03 -0.04 -0.04 1.21 0.56 1ri1A1 ILE 160 HG23 -0.77 -0.01 -0.27 -0.04 0.93 -0.15 1ri1A1 ILE 160 HD13 -0.01 -0.00 -0.06 -0.04 0.88 0.77 1ri1A1 ALA 161 H -0.05 0.49 -0.04 -0.55 8.40 8.26 1ri1A1 ALA 161 HA -0.11 0.04 0.37 -0.75 4.34 3.88 1ri1A1 ALA 161 HB3 -0.02 0.02 0.13 -0.04 1.41 1.49 1ri1A1 ARG 162 H -0.02 0.43 -0.28 -0.55 8.46 8.04 1ri1A1 ARG 162 HA -0.08 0.14 0.57 -0.75 4.34 4.22 1ri1A1 ARG 162 HB2 -0.12 -0.08 0.12 -0.04 1.90 1.79 1ri1A1 ARG 162 HB3 -0.05 0.05 0.12 -0.04 1.80 1.87 1ri1A1 ARG 162 HG2 -0.02 0.11 0.05 -0.04 1.67 1.77 1ri1A1 ARG 162 HG3 -0.55 -0.04 -0.34 -0.04 1.67 0.70 1ri1A1 ARG 162 HD2 -0.13 0.14 0.10 -0.04 3.22 3.29 1ri1A1 ARG 162 HD3 -0.12 -0.08 0.01 -0.04 3.22 2.99 1ri1A1 HIS 163 H 0.05 0.35 -0.52 -0.55 8.41 7.74 1ri1A1 HIS 163 HA 0.04 0.20 0.83 -0.75 4.63 4.94 1ri1A1 HIS 163 HB2 -0.06 0.15 0.10 -0.04 3.26 3.41 1ri1A1 HIS 163 HB3 0.13 -0.12 0.14 -0.04 3.20 3.31 1ri1A1 HIS 163 HD2 0.14 0.17 0.02 -0.04 6.97 7.25 1ri1A1 HIS 163 HE1 -0.17 0.47 -0.29 -0.04 7.75 7.72 1ri1A1 LEU 164 H -0.00 0.37 -0.30 -0.55 8.37 7.90 1ri1A1 LEU 164 HA 0.09 0.10 1.00 -0.75 4.35 4.78 1ri1A1 LEU 164 HB2 -0.05 0.06 -0.08 -0.04 1.64 1.54 1ri1A1 LEU 164 HB3 -0.05 0.05 0.07 -0.04 1.64 1.67 1ri1A1 LEU 164 HG -0.03 0.16 -0.16 -0.04 1.64 1.57 1ri1A1 LEU 164 HD13 0.05 0.01 -0.19 -0.04 0.93 0.75 1ri1A1 LEU 164 HD23 -0.09 -0.02 -0.29 -0.04 0.89 0.45 1ri1A1 ARG 165 H 0.05 0.62 0.27 -0.55 8.46 8.85 1ri1A1 ARG 165 HA -0.02 0.06 0.46 -0.75 4.34 4.08 1ri1A1 ARG 165 HB2 0.02 0.01 0.05 -0.04 1.90 1.94 1ri1A1 ARG 165 HB3 -0.00 0.11 0.00 -0.04 1.80 1.87 1ri1A1 ARG 165 HG2 -0.03 -0.01 -0.06 -0.04 1.67 1.53 1ri1A1 ARG 165 HG3 -0.01 -0.08 -0.28 -0.04 1.67 1.26 1ri1A1 ARG 165 HD2 0.01 -0.03 -0.13 -0.04 3.22 3.03 1ri1A1 ARG 165 HD3 -0.01 0.04 -0.04 -0.04 3.22 3.17 1ri1A1 PRO 166 HA -0.04 0.10 0.52 -0.51 4.44 4.52 1ri1A1 PRO 166 HB2 -0.02 -0.05 0.13 -0.04 2.28 2.30 1ri1A1 PRO 166 HB3 -0.03 0.10 0.14 -0.04 2.02 2.19 1ri1A1 PRO 166 HG2 -0.02 -0.03 0.12 -0.04 2.03 2.05 1ri1A1 PRO 166 HG3 -0.03 0.08 0.13 -0.04 2.03 2.17 1ri1A1 PRO 166 HD2 -0.02 0.03 0.23 -0.04 3.68 3.88 1ri1A1 PRO 166 HD3 -0.03 0.15 0.26 -0.04 3.65 3.99 1ri1A1 GLY 167 H -0.07 0.94 0.46 -0.55 8.43 9.21 1ri1A1 GLY 167 HA2 -0.11 -0.06 0.36 -0.51 4.01 3.69 1ri1A1 GLY 167 HA3 -0.05 0.04 0.65 -0.51 4.01 4.15 1ri1A1 GLY 168 H -0.05 0.65 -0.36 -0.55 8.43 8.13 1ri1A1 GLY 168 HA2 0.06 0.06 0.58 -0.51 4.01 4.19 1ri1A1 GLY 168 HA3 0.02 0.08 0.44 -0.51 4.01 4.04 1ri1A1 TYR 169 H 0.25 0.39 0.45 -0.55 8.29 8.83 1ri1A1 TYR 169 HA 0.02 0.21 1.12 -0.75 4.56 5.16 1ri1A1 TYR 169 HB2 0.05 0.01 0.16 -0.04 3.06 3.24 1ri1A1 TYR 169 HB3 -0.12 -0.10 0.00 -0.04 2.98 2.72 1ri1A1 TYR 169 HD2 0.04 -0.02 -0.03 -0.04 7.15 7.09 1ri1A1 TYR 169 HE2 0.15 -0.03 -0.04 -0.04 6.85 6.89 1ri1A1 PHE 170 H 0.14 0.65 0.30 -0.55 8.34 8.88 1ri1A1 PHE 170 HA -0.09 0.33 1.01 -0.75 4.62 5.12 1ri1A1 PHE 170 HB2 -0.20 0.07 -0.05 -0.04 3.15 2.92 1ri1A1 PHE 170 HB3 -0.22 -0.05 0.16 -0.04 3.06 2.92 1ri1A1 PHE 170 HD2 -0.38 0.07 -0.04 -0.04 7.28 6.89 1ri1A1 PHE 170 HE2 -0.31 -0.06 -0.16 -0.04 7.38 6.80 1ri1A1 PHE 170 HZ -1.43 -0.11 -0.10 -0.04 7.32 5.64 1ri1A1 ILE 171 H -0.15 0.38 0.21 -0.55 8.25 8.14 1ri1A1 ILE 171 HA -0.38 0.18 0.99 -0.75 4.18 4.21 1ri1A1 ILE 171 HB -0.28 -0.01 0.03 -0.04 1.89 1.59 1ri1A1 ILE 171 HG12 -0.07 0.08 -0.04 -0.04 1.49 1.42 1ri1A1 ILE 171 HG13 -0.14 -0.16 -0.09 -0.04 1.21 0.77 1ri1A1 ILE 171 HG23 -0.40 0.02 -0.12 -0.04 0.93 0.39 1ri1A1 ILE 171 HD13 -0.03 0.01 -0.18 -0.04 0.88 0.64 1ri1A1 MET 172 H -0.30 0.49 0.42 -0.55 8.47 8.53 1ri1A1 MET 172 HA -0.23 0.11 0.63 -0.75 4.52 4.28 1ri1A1 MET 172 HB2 -0.15 -0.02 0.21 -0.04 2.15 2.15 1ri1A1 MET 172 HB3 -0.74 0.10 -0.29 -0.04 2.03 1.06 1ri1A1 MET 172 HG2 -0.15 0.17 0.01 -0.04 2.63 2.61 1ri1A1 MET 172 HG3 -0.01 -0.12 -0.28 -0.04 2.56 2.11 1ri1A1 MET 172 HE3 -0.00 0.02 -0.18 -0.04 2.10 1.90 1ri1A1 THR 173 H -0.12 0.26 0.31 -0.55 8.28 8.18 1ri1A1 THR 173 HA 0.00 0.42 1.03 -0.75 4.39 5.08 1ri1A1 THR 173 HB -0.25 0.03 0.07 -0.04 4.32 4.12 1ri1A1 THR 173 HG23 -0.16 0.02 -0.15 -0.04 1.22 0.89 1ri1A1 VAL 174 H 0.06 0.44 0.25 -0.55 8.24 8.44 1ri1A1 VAL 174 HA 0.12 0.10 0.96 -0.75 4.13 4.55 1ri1A1 VAL 174 HB 0.04 0.09 0.09 -0.04 2.12 2.31 1ri1A1 VAL 174 HG13 0.26 -0.06 -0.14 -0.04 0.97 1.00 1ri1A1 VAL 174 HG23 0.12 0.02 -0.11 -0.04 0.95 0.94 1ri1A1 PRO 175 HA -0.47 0.17 0.48 -0.51 4.44 4.11 1ri1A1 PRO 175 HB2 -0.21 -0.03 -0.07 -0.04 2.28 1.92 1ri1A1 PRO 175 HB3 -0.52 0.09 -0.02 -0.04 2.02 1.53 1ri1A1 PRO 175 HG2 -0.57 0.05 -0.03 -0.04 2.03 1.45 1ri1A1 PRO 175 HG3 -0.37 0.07 -0.05 -0.04 2.03 1.65 1ri1A1 PRO 175 HD2 -0.49 0.08 0.18 -0.04 3.68 3.41 1ri1A1 PRO 175 HD3 -0.33 0.08 0.19 -0.04 3.65 3.54 1ri1A1 SER 176 H -0.27 0.93 0.39 -0.55 8.46 8.97 1ri1A1 SER 176 HA -0.07 0.08 0.75 -0.75 4.49 4.50 1ri1A1 SER 176 HB2 -0.09 0.07 -0.00 -0.04 3.95 3.89 1ri1A1 SER 176 HB3 -0.14 0.11 0.22 -0.04 3.93 4.08 1ri1A1 ARG 177 H -0.08 0.24 0.19 -0.55 8.46 8.26 1ri1A1 ARG 177 HA -0.20 0.10 0.38 -0.75 4.34 3.87 1ri1A1 ARG 177 HB2 -0.17 0.04 0.12 -0.04 1.90 1.85 1ri1A1 ARG 177 HB3 -0.19 -0.04 0.13 -0.04 1.80 1.66 1ri1A1 ARG 177 HG2 -0.53 -0.01 -0.17 -0.04 1.67 0.92 1ri1A1 ARG 177 HG3 -1.58 0.02 -0.01 -0.04 1.67 0.05 1ri1A1 ARG 177 HD2 -0.45 0.08 -0.12 -0.04 3.22 2.69 1ri1A1 ARG 177 HD3 -0.20 0.01 -0.08 -0.04 3.22 2.91 1ri1A1 ASP 178 H -0.14 0.08 -0.07 -0.55 8.40 7.72 1ri1A1 ASP 178 HA -0.13 0.10 0.37 -0.75 4.63 4.21 1ri1A1 ASP 178 HB2 -0.11 -0.05 0.04 -0.04 2.71 2.55 1ri1A1 ASP 178 HB3 -0.09 0.08 -0.04 -0.04 2.70 2.61 1ri1A1 VAL 179 H -0.11 0.03 -0.31 -0.55 8.24 7.30 1ri1A1 VAL 179 HA -0.07 0.05 0.37 -0.75 4.13 3.73 1ri1A1 VAL 179 HB -0.14 0.11 0.20 -0.04 2.12 2.25 1ri1A1 VAL 179 HG13 -0.10 0.04 -0.17 -0.04 0.97 0.70 1ri1A1 VAL 179 HG23 -0.08 0.01 0.05 -0.04 0.95 0.90 1ri1A1 ILE 180 H -0.13 0.48 -0.08 -0.55 8.25 7.98 1ri1A1 ILE 180 HA -0.07 0.03 0.33 -0.75 4.18 3.71 1ri1A1 ILE 180 HB -0.04 0.05 0.11 -0.04 1.89 1.96 1ri1A1 ILE 180 HG12 -0.27 -0.01 -0.01 -0.04 1.49 1.16 1ri1A1 ILE 180 HG13 -0.20 0.12 0.12 -0.04 1.21 1.21 1ri1A1 ILE 180 HG23 -0.16 -0.00 -0.18 -0.04 0.93 0.54 1ri1A1 ILE 180 HD13 -0.39 -0.04 -0.17 -0.04 0.88 0.25 1ri1A1 LEU 181 H -0.13 0.60 -0.07 -0.55 8.37 8.22 1ri1A1 LEU 181 HA 0.06 0.00 0.35 -0.75 4.35 4.01 1ri1A1 LEU 181 HB2 -0.09 0.07 0.08 -0.04 1.64 1.66 1ri1A1 LEU 181 HB3 0.00 -0.06 0.03 -0.04 1.64 1.57 1ri1A1 LEU 181 HG -0.33 0.10 0.06 -0.04 1.64 1.43 1ri1A1 LEU 181 HD13 -0.23 -0.02 -0.09 -0.04 0.93 0.55 1ri1A1 LEU 181 HD23 -0.11 -0.01 -0.04 -0.04 0.89 0.69 1ri1A1 GLU 182 H -0.03 0.51 -0.32 -0.55 8.60 8.22 1ri1A1 GLU 182 HA 0.01 -0.01 0.46 -0.75 4.29 4.00 1ri1A1 GLU 182 HB2 -0.02 0.18 0.21 -0.04 2.09 2.42 1ri1A1 GLU 182 HB3 -0.01 -0.06 0.00 -0.04 1.99 1.89 1ri1A1 GLU 182 HG2 -0.04 0.17 0.08 -0.04 2.34 2.51 1ri1A1 GLU 182 HG3 -0.03 -0.07 -0.00 -0.04 2.34 2.20 1ri1A1 ARG 183 H 0.01 0.55 0.04 -0.55 8.46 8.51 1ri1A1 ARG 183 HA 0.03 -0.03 0.41 -0.75 4.34 4.00 1ri1A1 ARG 183 HB2 0.05 0.05 0.11 -0.04 1.90 2.06 1ri1A1 ARG 183 HB3 0.09 0.37 0.11 -0.04 1.80 2.32 1ri1A1 ARG 183 HG2 0.04 -0.04 0.05 -0.04 1.67 1.68 1ri1A1 ARG 183 HG3 0.01 -0.01 0.03 -0.04 1.67 1.65 1ri1A1 ARG 183 HD2 -0.03 -0.04 -0.11 -0.04 3.22 3.01 1ri1A1 ARG 183 HD3 0.07 0.01 -0.05 -0.04 3.22 3.21 1ri1A1 TYR 184 H 0.15 0.37 -0.63 -0.55 8.29 7.63 1ri1A1 TYR 184 HA 0.01 0.02 0.35 -0.75 4.56 4.20 1ri1A1 TYR 184 HB2 0.01 -0.02 0.01 -0.04 3.06 3.02 1ri1A1 TYR 184 HB3 -0.00 0.30 0.21 -0.04 2.98 3.44 1ri1A1 TYR 184 HD2 0.01 0.01 0.00 -0.04 7.15 7.14 1ri1A1 TYR 184 HE2 0.02 -0.04 -0.01 -0.04 6.85 6.79 1ri1A1 LYS 185 H 0.03 0.50 0.06 -0.55 8.42 8.46 1ri1A1 LYS 185 HA -0.23 0.01 0.44 -0.75 4.32 3.79 1ri1A1 LYS 185 HB2 -0.02 0.10 0.14 -0.04 1.87 2.04 1ri1A1 LYS 185 HB3 -0.05 -0.05 0.11 -0.04 1.79 1.76 1ri1A1 LYS 185 HG2 -0.01 -0.07 0.07 -0.04 1.46 1.41 1ri1A1 LYS 185 HG3 0.05 0.28 0.13 -0.04 1.46 1.88 1ri1A1 LYS 185 HD2 -0.00 -0.01 0.00 -0.04 1.69 1.64 1ri1A1 LYS 185 HD3 -0.01 -0.02 0.02 -0.04 1.68 1.64 1ri1A1 LYS 185 HE2 0.03 -0.04 0.00 -0.04 2.99 2.94 1ri1A1 LYS 185 HE3 0.03 -0.01 -0.07 -0.04 2.99 2.90 1ri1A1 GLN 186 H -0.03 0.30 -0.60 -0.55 8.47 7.60 1ri1A1 GLN 186 HA -0.04 0.12 0.71 -0.75 4.36 4.40 1ri1A1 GLN 186 HB2 0.00 0.05 0.10 -0.04 2.15 2.27 1ri1A1 GLN 186 HB3 -0.00 -0.07 0.14 -0.04 2.02 2.05 1ri1A1 GLN 186 HG2 -0.01 -0.04 -0.00 -0.04 2.40 2.31 1ri1A1 GLN 186 HG3 -0.01 0.07 -0.08 -0.04 2.39 2.32 1ri1A1 GLN 186 HE21 -0.00 -0.06 -0.13 -0.04 6.97 6.73 1ri1A1 GLN 186 HE22 -0.01 0.01 -0.13 -0.04 7.69 7.53 1ri1A1 GLY 187 H -0.09 0.40 -0.47 -0.55 8.43 7.72 1ri1A1 GLY 187 HA2 -0.08 0.04 0.36 -0.51 4.01 3.82 1ri1A1 GLY 187 HA3 -0.05 0.04 0.45 -0.51 4.01 3.95 1ri1A1 ARG 188 H 0.01 0.10 -0.69 -0.55 8.46 7.32 1ri1A1 ARG 188 HA 0.02 0.06 0.70 -0.75 4.34 4.36 1ri1A1 ARG 188 HB2 0.02 0.07 0.06 -0.04 1.90 2.01 1ri1A1 ARG 188 HB3 0.05 -0.04 0.20 -0.04 1.80 1.97 1ri1A1 ARG 188 HG2 0.08 -0.05 -0.04 -0.04 1.67 1.63 1ri1A1 ARG 188 HG3 0.03 0.04 0.07 -0.04 1.67 1.77 1ri1A1 ARG 188 HD2 0.05 -0.04 0.02 -0.04 3.22 3.21 1ri1A1 ARG 188 HD3 0.03 0.03 0.03 -0.04 3.22 3.27 1ri1A1 MET 189 H 0.02 0.30 0.15 -0.55 8.47 8.40 1ri1A1 MET 189 HA 0.14 0.15 0.72 -0.75 4.52 4.77 1ri1A1 MET 189 HB2 0.05 0.04 0.09 -0.04 2.15 2.28 1ri1A1 MET 189 HB3 0.08 0.05 0.22 -0.04 2.03 2.34 1ri1A1 MET 189 HG2 0.14 0.06 -0.37 -0.04 2.63 2.41 1ri1A1 MET 189 HG3 0.20 -0.01 -0.03 -0.04 2.56 2.68 1ri1A1 MET 189 HE3 0.09 -0.02 -0.14 -0.04 2.10 1.99 1ri1A1 SER 190 H -0.06 0.21 -0.02 -0.55 8.46 8.04 1ri1A1 SER 190 HA -1.41 0.01 0.27 -0.75 4.49 2.61 1ri1A1 SER 190 HB2 -0.39 0.27 0.38 -0.04 3.95 4.17 1ri1A1 SER 190 HB3 -0.31 0.04 0.06 -0.04 3.93 3.68 1ri1A1 ASN 191 H -0.43 0.58 0.27 -0.55 8.53 8.40 1ri1A1 ASN 191 HA -0.09 0.15 0.40 -0.75 4.76 4.47 1ri1A1 ASN 191 HB2 0.01 -0.14 0.27 -0.04 2.88 2.98 1ri1A1 ASN 191 HB3 0.07 0.23 0.09 -0.04 2.79 3.13 1ri1A1 ASN 191 HD21 0.52 0.07 -0.01 -0.04 7.03 7.58 1ri1A1 ASN 191 HD22 0.32 0.07 -0.04 -0.04 7.74 8.05 1ri1A1 ASP 192 H -0.16 0.14 0.17 -0.55 8.40 8.00 1ri1A1 ASP 192 HA -0.16 0.19 0.54 -0.75 4.63 4.44 1ri1A1 ASP 192 HB2 -0.62 -0.04 0.08 -0.04 2.71 2.08 1ri1A1 ASP 192 HB3 -0.33 0.05 0.13 -0.04 2.70 2.51 1ri1A1 PHE 193 H 0.05 -0.06 -0.27 -0.55 8.34 7.51 1ri1A1 PHE 193 HA 0.04 0.23 0.94 -0.75 4.62 5.08 1ri1A1 PHE 193 HB2 0.20 0.00 0.03 -0.04 3.15 3.35 1ri1A1 PHE 193 HB3 0.11 0.00 0.02 -0.04 3.06 3.15 1ri1A1 PHE 193 HD2 0.07 0.08 -0.08 -0.04 7.28 7.30 1ri1A1 PHE 193 HE2 0.04 0.01 -0.10 -0.04 7.38 7.29 1ri1A1 PHE 193 HZ 0.03 0.01 0.01 -0.04 7.32 7.33 1ri1A1 TYR 194 H 0.18 -0.00 0.01 -0.55 8.29 7.92 1ri1A1 TYR 194 HA -0.04 0.27 0.88 -0.75 4.56 4.91 1ri1A1 TYR 194 HB2 0.10 0.13 0.21 -0.04 3.06 3.47 1ri1A1 TYR 194 HB3 0.17 -0.09 -0.16 -0.04 2.98 2.86 1ri1A1 TYR 194 HD2 0.23 -0.07 -0.13 -0.04 7.15 7.15 1ri1A1 TYR 194 HE2 0.09 0.04 -0.24 -0.04 6.85 6.69 1ri1A1 LYS 195 H 0.08 0.46 0.32 -0.55 8.42 8.73 1ri1A1 LYS 195 HA -0.31 0.12 0.69 -0.75 4.32 4.08 1ri1A1 LYS 195 HB2 -0.13 0.13 -0.05 -0.04 1.87 1.78 1ri1A1 LYS 195 HB3 -0.08 -0.11 -0.03 -0.04 1.79 1.53 1ri1A1 LYS 195 HG2 -0.02 -0.06 -0.27 -0.04 1.46 1.07 1ri1A1 LYS 195 HG3 -0.05 0.08 -0.02 -0.04 1.46 1.42 1ri1A1 LYS 195 HD2 -0.07 0.03 -0.04 -0.04 1.69 1.57 1ri1A1 LYS 195 HD3 -0.05 -0.05 -0.09 -0.04 1.68 1.46 1ri1A1 LYS 195 HE2 -0.02 -0.03 -0.09 -0.04 2.99 2.81 1ri1A1 LYS 195 HE3 -0.02 0.05 -0.09 -0.04 2.99 2.90 1ri1A1 ILE 196 H 0.03 0.48 0.30 -0.55 8.25 8.51 1ri1A1 ILE 196 HA 0.24 0.47 1.14 -0.75 4.18 5.28 1ri1A1 ILE 196 HB 0.18 0.05 0.10 -0.04 1.89 2.17 1ri1A1 ILE 196 HG12 0.63 0.05 0.00 -0.04 1.49 2.13 1ri1A1 ILE 196 HG13 0.65 -0.10 -0.35 -0.04 1.21 1.37 1ri1A1 ILE 196 HG23 0.02 -0.02 -0.18 -0.04 0.93 0.70 1ri1A1 ILE 196 HD13 -0.05 -0.01 -0.09 -0.04 0.88 0.68 1ri1A1 GLU 197 H 0.15 0.44 0.33 -0.55 8.60 8.98 1ri1A1 GLU 197 HA 0.06 0.16 0.94 -0.75 4.29 4.69 1ri1A1 GLU 197 HB2 0.04 -0.07 0.11 -0.04 2.09 2.13 1ri1A1 GLU 197 HB3 0.03 0.08 0.09 -0.04 1.99 2.16 1ri1A1 GLU 197 HG2 0.03 0.10 -0.20 -0.04 2.34 2.22 1ri1A1 GLU 197 HG3 0.04 -0.06 -0.31 -0.04 2.34 1.98 1ri1A1 LEU 198 H -0.01 0.13 0.13 -0.55 8.37 8.07 1ri1A1 LEU 198 HA 0.01 0.14 0.78 -0.75 4.35 4.52 1ri1A1 LEU 198 HB2 -0.21 0.06 0.08 -0.04 1.64 1.52 1ri1A1 LEU 198 HB3 -0.11 -0.06 0.20 -0.04 1.64 1.63 1ri1A1 LEU 198 HG -0.25 -0.03 -0.06 -0.04 1.64 1.26 1ri1A1 LEU 198 HD13 -0.94 0.01 -0.01 -0.04 0.93 -0.06 1ri1A1 LEU 198 HD23 0.05 0.00 -0.11 -0.04 0.89 0.79 1ri1A1 GLU 199 H -0.01 0.10 0.16 -0.55 8.60 8.31 1ri1A1 GLU 199 HA 0.01 0.14 0.67 -0.75 4.29 4.36 1ri1A1 GLU 199 HB2 0.02 0.05 0.06 -0.04 2.09 2.19 1ri1A1 GLU 199 HB3 0.02 -0.06 0.16 -0.04 1.99 2.07 1ri1A1 GLU 199 HG2 0.02 0.08 0.12 -0.04 2.34 2.52 1ri1A1 GLU 199 HG3 0.02 -0.02 0.04 -0.04 2.34 2.34 1ri1A1 LYS 200 H 0.02 0.08 0.13 -0.55 8.42 8.10 1ri1A1 LYS 200 HA 0.03 0.16 0.57 -0.75 4.32 4.32 1ri1A1 LYS 200 HB2 0.02 0.02 0.14 -0.04 1.87 2.01 1ri1A1 LYS 200 HB3 0.02 -0.11 0.04 -0.04 1.79 1.70 1ri1A1 LYS 200 HG2 0.02 0.03 0.00 -0.04 1.46 1.47 1ri1A1 LYS 200 HG3 0.02 0.02 0.04 -0.04 1.46 1.50 1ri1A1 LYS 200 HD2 0.02 -0.03 0.06 -0.04 1.69 1.71 1ri1A1 LYS 200 HD3 0.03 0.01 0.10 -0.04 1.68 1.78 1ri1A1 LYS 200 HE2 0.03 0.01 0.00 -0.04 2.99 3.00 1ri1A1 LYS 200 HE3 0.03 0.04 -0.03 -0.04 2.99 2.98 1ri1A1 MET 201 H 0.03 0.11 0.15 -0.55 8.47 8.21 1ri1A1 MET 201 HA 0.04 0.30 0.40 -0.75 4.52 4.50 1ri1A1 MET 201 HB2 0.05 -0.00 0.15 -0.04 2.15 2.30 1ri1A1 MET 201 HB3 0.03 -0.04 0.04 -0.04 2.03 2.02 1ri1A1 MET 201 HG2 0.04 -0.04 0.05 -0.04 2.63 2.64 1ri1A1 MET 201 HG3 0.04 0.01 0.19 -0.04 2.56 2.76 1ri1A1 MET 201 HE3 0.06 -0.01 0.03 -0.04 2.10 2.14 1ri1A1 GLU 202 H 0.02 0.02 -0.35 -0.55 8.60 7.74 1ri1A1 GLU 202 HA 0.02 -0.03 0.34 -0.75 4.29 3.87 1ri1A1 GLU 202 HB2 0.02 -0.05 0.07 -0.04 2.09 2.09 1ri1A1 GLU 202 HB3 0.02 0.04 0.09 -0.04 1.99 2.10 1ri1A1 GLU 202 HG2 0.01 0.06 -0.19 -0.04 2.34 2.18 1ri1A1 GLU 202 HG3 0.01 -0.02 -0.00 -0.04 2.34 2.29 1ri1A1 ASP 203 H 0.02 0.09 0.30 -0.55 8.40 8.26 1ri1A1 ASP 203 HA 0.02 -0.03 0.36 -0.75 4.63 4.22 1ri1A1 ASP 203 HB2 0.02 0.18 -0.16 -0.04 2.71 2.70 1ri1A1 ASP 203 HB3 0.02 -0.01 0.27 -0.04 2.70 2.93 1ri1A1 VAL 204 H 0.03 0.59 -0.15 -0.55 8.24 8.16 1ri1A1 VAL 204 HA 0.03 0.11 0.68 -0.75 4.13 4.19 1ri1A1 VAL 204 HB 0.03 0.02 -0.18 -0.04 2.12 1.95 1ri1A1 VAL 204 HG13 0.03 0.01 -0.20 -0.04 0.97 0.77 1ri1A1 VAL 204 HG23 0.03 -0.03 -0.34 -0.04 0.95 0.57 1ri1A1 PRO 205 HA 0.05 0.18 0.65 -0.51 4.44 4.80 1ri1A1 PRO 205 HB2 0.03 -0.09 0.11 -0.04 2.28 2.29 1ri1A1 PRO 205 HB3 0.03 0.10 0.04 -0.04 2.02 2.15 1ri1A1 PRO 205 HG2 0.02 -0.16 -0.11 -0.04 2.03 1.75 1ri1A1 PRO 205 HG3 0.02 0.10 -0.01 -0.04 2.03 2.10 1ri1A1 PRO 205 HD2 0.03 0.18 0.19 -0.04 3.68 4.03 1ri1A1 PRO 205 HD3 0.02 0.18 -0.03 -0.04 3.65 3.78 1ri1A1 MET 206 H 0.06 0.17 0.14 -0.55 8.47 8.29 1ri1A1 MET 206 HA 0.01 0.12 0.37 -0.75 4.52 4.27 1ri1A1 MET 206 HB2 0.06 -0.05 0.15 -0.04 2.15 2.26 1ri1A1 MET 206 HB3 0.04 0.03 0.01 -0.04 2.03 2.07 1ri1A1 MET 206 HG2 0.30 0.04 0.04 -0.04 2.63 2.98 1ri1A1 MET 206 HG3 0.20 -0.03 0.10 -0.04 2.56 2.80 1ri1A1 MET 206 HE3 0.06 -0.00 0.05 -0.04 2.10 2.17 1ri1A1 GLU 207 H 0.01 0.09 -0.07 -0.55 8.60 8.08 1ri1A1 GLU 207 HA -0.04 0.08 0.38 -0.75 4.29 3.95 1ri1A1 GLU 207 HB2 0.00 0.05 -0.08 -0.04 2.09 2.02 1ri1A1 GLU 207 HB3 -0.01 0.01 0.10 -0.04 1.99 2.05 1ri1A1 GLU 207 HG2 0.01 -0.06 0.06 -0.04 2.34 2.31 1ri1A1 GLU 207 HG3 -0.00 0.04 0.02 -0.04 2.34 2.36 1ri1A1 SER 208 H 0.02 0.23 -0.83 -0.55 8.46 7.34 1ri1A1 SER 208 HA 0.03 0.14 0.70 -0.75 4.49 4.61 1ri1A1 SER 208 HB2 0.02 -0.12 0.01 -0.04 3.95 3.83 1ri1A1 SER 208 HB3 0.03 0.14 0.04 -0.04 3.93 4.10 1ri1A1 VAL 209 H 0.05 0.45 -0.17 -0.55 8.24 8.02 1ri1A1 VAL 209 HA 0.09 0.04 0.64 -0.75 4.13 4.15 1ri1A1 VAL 209 HB 0.18 0.08 0.16 -0.04 2.12 2.49 1ri1A1 VAL 209 HG13 0.14 -0.07 0.03 -0.04 0.97 1.03 1ri1A1 VAL 209 HG23 0.02 0.03 -0.01 -0.04 0.95 0.95 1ri1A1 ARG 210 H 0.12 0.10 0.24 -0.55 8.46 8.38 1ri1A1 ARG 210 HA 0.26 0.18 0.84 -0.75 4.34 4.86 1ri1A1 ARG 210 HB2 0.12 -0.02 0.10 -0.04 1.90 2.07 1ri1A1 ARG 210 HB3 0.15 0.02 0.11 -0.04 1.80 2.04 1ri1A1 ARG 210 HG2 0.10 -0.02 -0.04 -0.04 1.67 1.67 1ri1A1 ARG 210 HG3 0.09 0.13 -0.17 -0.04 1.67 1.68 1ri1A1 ARG 210 HD2 0.05 0.01 0.01 -0.04 3.22 3.25 1ri1A1 ARG 210 HD3 0.06 -0.00 0.05 -0.04 3.22 3.29 1ri1A1 GLU 211 H 0.07 0.12 0.16 -0.55 8.60 8.41 1ri1A1 GLU 211 HA -0.26 0.08 0.84 -0.75 4.29 4.20 1ri1A1 GLU 211 HB2 -0.29 0.15 0.11 -0.04 2.09 2.02 1ri1A1 GLU 211 HB3 0.10 0.03 -0.25 -0.04 1.99 1.83 1ri1A1 GLU 211 HG2 0.01 -0.11 -0.02 -0.04 2.34 2.18 1ri1A1 GLU 211 HG3 -0.09 0.03 -0.26 -0.04 2.34 1.98 1ri1A1 TYR 212 H -0.68 0.57 0.35 -0.55 8.29 7.98 1ri1A1 TYR 212 HA -0.15 0.15 0.68 -0.75 4.56 4.48 1ri1A1 TYR 212 HB2 -0.15 0.13 0.00 -0.04 3.06 3.00 1ri1A1 TYR 212 HB3 -0.36 -0.01 -0.19 -0.04 2.98 2.38 1ri1A1 TYR 212 HD2 -0.90 0.05 -0.39 -0.04 7.15 5.87 1ri1A1 TYR 212 HE2 -0.42 -0.03 -0.27 -0.04 6.85 6.09 1ri1A1 ARG 213 H 0.10 0.74 0.37 -0.55 8.46 9.11 1ri1A1 ARG 213 HA -0.05 0.24 0.76 -0.75 4.34 4.54 1ri1A1 ARG 213 HB2 0.05 -0.08 0.16 -0.04 1.90 1.99 1ri1A1 ARG 213 HB3 0.02 -0.03 -0.09 -0.04 1.80 1.66 1ri1A1 ARG 213 HG2 -0.01 -0.01 -0.11 -0.04 1.67 1.50 1ri1A1 ARG 213 HG3 0.00 -0.01 -0.04 -0.04 1.67 1.58 1ri1A1 ARG 213 HD2 -0.02 0.11 -0.05 -0.04 3.22 3.22 1ri1A1 ARG 213 HD3 -0.05 -0.00 -0.17 -0.04 3.22 2.95 1ri1A1 PHE 214 H 0.11 0.77 0.15 -0.55 8.34 8.82 1ri1A1 PHE 214 HA 0.15 0.33 1.14 -0.75 4.62 5.48 1ri1A1 PHE 214 HB2 0.22 -0.02 -0.11 -0.04 3.15 3.19 1ri1A1 PHE 214 HB3 0.05 -0.02 0.04 -0.04 3.06 3.09 1ri1A1 PHE 214 HD2 0.16 0.02 -0.06 -0.04 7.28 7.36 1ri1A1 PHE 214 HE2 0.12 -0.03 -0.08 -0.04 7.38 7.35 1ri1A1 PHE 214 HZ 0.09 -0.01 -0.08 -0.04 7.32 7.27 1ri1A1 THR 215 H -0.23 0.73 0.36 -0.55 8.28 8.60 1ri1A1 THR 215 HA -0.24 0.12 0.83 -0.75 4.39 4.35 1ri1A1 THR 215 HB -0.11 0.00 0.07 -0.04 4.32 4.24 1ri1A1 THR 215 HG23 -0.08 0.01 -0.06 -0.04 1.22 1.05 1ri1A1 LEU 216 H -0.24 0.70 0.16 -0.55 8.37 8.45 1ri1A1 LEU 216 HA -0.12 0.21 1.01 -0.75 4.35 4.69 1ri1A1 LEU 216 HB2 -0.53 -0.04 -0.19 -0.04 1.64 0.84 1ri1A1 LEU 216 HB3 -0.11 -0.12 -0.02 -0.04 1.64 1.35 1ri1A1 LEU 216 HG 0.04 0.18 -0.14 -0.04 1.64 1.68 1ri1A1 LEU 216 HD13 0.22 0.01 -0.00 -0.04 0.93 1.12 1ri1A1 LEU 216 HD23 0.12 -0.02 -0.08 -0.04 0.89 0.86 1ri1A1 LEU 217 H 0.08 0.75 0.29 -0.55 8.37 8.94 1ri1A1 LEU 217 HA 0.02 -0.02 0.40 -0.75 4.35 3.99 1ri1A1 LEU 217 HB2 0.14 0.16 0.29 -0.04 1.64 2.19 1ri1A1 LEU 217 HB3 0.16 -0.10 0.13 -0.04 1.64 1.79 1ri1A1 LEU 217 HG 0.06 -0.04 -0.05 -0.04 1.64 1.57 1ri1A1 LEU 217 HD13 0.01 0.03 0.07 -0.04 0.93 1.00 1ri1A1 LEU 217 HD23 0.13 -0.00 0.00 -0.04 0.89 0.98 1ri1A1 ASP 218 H 0.01 0.11 0.23 -0.55 8.40 8.20 1ri1A1 ASP 218 HA 0.01 0.01 0.38 -0.75 4.63 4.28 1ri1A1 ASP 218 HB2 0.04 0.07 -0.29 -0.04 2.71 2.49 1ri1A1 ASP 218 HB3 0.02 0.00 0.28 -0.04 2.70 2.96 1ri1A1 SER 219 H -0.01 0.38 -0.07 -0.55 8.46 8.22 1ri1A1 SER 219 HA 0.02 0.07 0.52 -0.75 4.49 4.35 1ri1A1 SER 219 HB2 0.01 0.14 -0.34 -0.04 3.95 3.73 1ri1A1 SER 219 HB3 -0.01 -0.01 -0.08 -0.04 3.93 3.79 1ri1A1 VAL 220 H 0.03 0.08 0.11 -0.55 8.24 7.91 1ri1A1 VAL 220 HA 0.02 0.04 0.36 -0.75 4.13 3.79 1ri1A1 VAL 220 HB 0.07 -0.01 0.09 -0.04 2.12 2.23 1ri1A1 VAL 220 HG13 0.14 0.01 0.08 -0.04 0.97 1.16 1ri1A1 VAL 220 HG23 0.02 0.01 -0.11 -0.04 0.95 0.83 1ri1A1 ASN 221 H -0.01 0.17 0.16 -0.55 8.53 8.30 1ri1A1 ASN 221 HA -0.06 0.11 1.03 -0.75 4.76 5.09 1ri1A1 ASN 221 HB2 -0.02 -0.02 0.19 -0.04 2.88 2.99 1ri1A1 ASN 221 HB3 -0.02 0.02 0.06 -0.04 2.79 2.80 1ri1A1 ASN 221 HD21 -0.01 0.06 -0.02 -0.04 7.03 7.02 1ri1A1 ASN 221 HD22 -0.01 -0.09 0.03 -0.04 7.74 7.63 1ri1A1 ASN 222 H -0.06 0.16 0.01 -0.55 8.53 8.10 1ri1A1 ASN 222 HA -0.01 -0.00 0.07 -0.75 4.76 4.06 1ri1A1 ASN 222 HB2 -0.02 -0.03 -0.15 -0.04 2.88 2.64 1ri1A1 ASN 222 HB3 -0.02 0.18 -0.07 -0.04 2.79 2.85 1ri1A1 ASN 222 HD21 -0.01 -0.01 0.01 -0.04 7.03 6.97 1ri1A1 ASN 222 HD22 -0.01 0.03 0.03 -0.04 7.74 7.74 1ri1A1 CYS 223 H 0.01 0.24 -0.32 -0.55 8.50 7.89 1ri1A1 CYS 223 HA 0.00 0.05 0.41 -0.75 4.58 4.29 1ri1A1 CYS 223 HB2 0.06 -0.14 0.04 -0.04 2.97 2.89 1ri1A1 CYS 223 HB3 0.15 0.02 0.05 -0.04 2.97 3.15 1ri1A1 ILE 224 H -0.06 0.10 0.21 -0.55 8.25 7.96 1ri1A1 ILE 224 HA -0.20 0.20 0.66 -0.75 4.18 4.08 1ri1A1 ILE 224 HB -0.19 -0.06 0.15 -0.04 1.89 1.75 1ri1A1 ILE 224 HG12 -0.07 -0.00 0.03 -0.04 1.49 1.40 1ri1A1 ILE 224 HG13 -0.08 0.09 0.03 -0.04 1.21 1.21 1ri1A1 ILE 224 HG23 -0.35 0.00 -0.13 -0.04 0.93 0.42 1ri1A1 ILE 224 HD13 -0.04 -0.02 0.11 -0.04 0.88 0.89 1ri1A1 GLU 225 H -0.55 0.67 0.38 -0.55 8.60 8.55 1ri1A1 GLU 225 HA -0.19 0.10 0.78 -0.75 4.29 4.22 1ri1A1 GLU 225 HB2 -1.84 -0.02 -0.03 -0.04 2.09 0.16 1ri1A1 GLU 225 HB3 -0.44 -0.02 -0.11 -0.04 1.99 1.37 1ri1A1 GLU 225 HG2 -0.13 0.15 -0.24 -0.04 2.34 2.09 1ri1A1 GLU 225 HG3 -0.11 -0.04 -0.13 -0.04 2.34 2.02 1ri1A1 TYR 226 H -0.10 0.12 -0.01 -0.55 8.29 7.75 1ri1A1 TYR 226 HA -0.12 0.19 0.94 -0.75 4.56 4.81 1ri1A1 TYR 226 HB2 0.05 0.12 0.03 -0.04 3.06 3.22 1ri1A1 TYR 226 HB3 0.07 0.21 -0.10 -0.04 2.98 3.12 1ri1A1 TYR 226 HD2 0.07 0.02 -0.05 -0.04 7.15 7.15 1ri1A1 TYR 226 HE2 0.05 -0.01 -0.03 -0.04 6.85 6.82 1ri1A1 PHE 227 H 0.11 0.49 0.17 -0.55 8.34 8.56 1ri1A1 PHE 227 HA 0.06 -0.07 0.27 -0.75 4.62 4.13 1ri1A1 PHE 227 HB2 0.06 0.19 0.03 -0.04 3.15 3.39 1ri1A1 PHE 227 HB3 -0.01 -0.06 -0.17 -0.04 3.06 2.78 1ri1A1 PHE 227 HD2 0.04 0.06 -0.22 -0.04 7.28 7.11 1ri1A1 PHE 227 HE2 -0.20 -0.01 -0.14 -0.04 7.38 6.99 1ri1A1 PHE 227 HZ -0.24 -0.02 -0.15 -0.04 7.32 6.87 1ri1A1 VAL 228 H 0.03 0.08 0.12 -0.55 8.24 7.92 1ri1A1 VAL 228 HA -1.34 0.20 0.70 -0.75 4.13 2.92 1ri1A1 VAL 228 HB -0.12 -0.02 0.21 -0.04 2.12 2.14 1ri1A1 VAL 228 HG13 -0.27 -0.02 -0.27 -0.04 0.97 0.37 1ri1A1 VAL 228 HG23 -0.32 0.01 0.01 -0.04 0.95 0.60 1ri1A1 ASP 229 H -0.23 0.32 0.08 -0.55 8.40 8.03 1ri1A1 ASP 229 HA 0.03 0.07 0.49 -0.75 4.63 4.46 1ri1A1 ASP 229 HB2 0.13 0.17 0.08 -0.04 2.71 3.04 1ri1A1 ASP 229 HB3 0.25 0.01 0.18 -0.04 2.70 3.10 1ri1A1 PHE 230 H 0.19 0.26 0.23 -0.55 8.34 8.47 1ri1A1 PHE 230 HA 0.12 0.09 0.26 -0.75 4.62 4.34 1ri1A1 PHE 230 HB2 0.00 0.05 0.18 -0.04 3.15 3.34 1ri1A1 PHE 230 HB3 0.04 -0.02 0.09 -0.04 3.06 3.13 1ri1A1 PHE 230 HD2 0.07 0.00 -0.11 -0.04 7.28 7.20 1ri1A1 PHE 230 HE2 0.07 0.03 -0.05 -0.04 7.38 7.39 1ri1A1 PHE 230 HZ 0.03 0.04 -0.03 -0.04 7.32 7.33 1ri1A1 THR 231 H 0.21 0.13 -0.01 -0.55 8.28 8.06 1ri1A1 THR 231 HA 0.19 0.08 0.42 -0.75 4.39 4.34 1ri1A1 THR 231 HB 0.09 -0.02 0.06 -0.04 4.32 4.42 1ri1A1 THR 231 HG23 0.07 0.03 -0.10 -0.04 1.22 1.18 1ri1A1 ARG 232 H 0.09 0.08 -0.32 -0.55 8.46 7.76 1ri1A1 ARG 232 HA 0.02 0.08 0.37 -0.75 4.34 4.06 1ri1A1 ARG 232 HB2 0.05 -0.04 0.05 -0.04 1.90 1.92 1ri1A1 ARG 232 HB3 0.09 0.10 0.01 -0.04 1.80 1.96 1ri1A1 ARG 232 HG2 -0.06 0.02 -0.08 -0.04 1.67 1.51 1ri1A1 ARG 232 HG3 -0.01 0.00 0.03 -0.04 1.67 1.65 1ri1A1 ARG 232 HD2 0.03 -0.01 -0.01 -0.04 3.22 3.18 1ri1A1 ARG 232 HD3 -0.06 0.02 -0.05 -0.04 3.22 3.09 1ri1A1 MET 233 H 0.07 0.32 -0.33 -0.55 8.47 7.98 1ri1A1 MET 233 HA -0.24 0.05 0.37 -0.75 4.52 3.95 1ri1A1 MET 233 HB2 0.23 0.01 0.01 -0.04 2.15 2.36 1ri1A1 MET 233 HB3 -0.09 0.10 0.14 -0.04 2.03 2.15 1ri1A1 MET 233 HG2 -0.16 0.01 -0.26 -0.04 2.63 2.19 1ri1A1 MET 233 HG3 -0.32 0.01 -0.05 -0.04 2.56 2.16 1ri1A1 MET 233 HE3 -0.09 -0.02 -0.10 -0.04 2.10 1.85 1ri1A1 VAL 234 H 0.03 0.57 0.01 -0.55 8.24 8.29 1ri1A1 VAL 234 HA 0.48 0.02 0.34 -0.75 4.13 4.22 1ri1A1 VAL 234 HB 0.15 0.03 0.20 -0.04 2.12 2.47 1ri1A1 VAL 234 HG13 0.20 -0.00 -0.07 -0.04 0.97 1.06 1ri1A1 VAL 234 HG23 0.16 0.06 0.03 -0.04 0.95 1.16 1ri1A1 ASP 235 H 0.08 0.48 -0.03 -0.55 8.40 8.38 1ri1A1 ASP 235 HA 0.07 0.00 0.34 -0.75 4.63 4.30 1ri1A1 ASP 235 HB2 0.02 0.04 0.09 -0.04 2.71 2.82 1ri1A1 ASP 235 HB3 0.03 -0.01 0.01 -0.04 2.70 2.69 1ri1A1 GLY 236 H -0.05 0.49 -0.27 -0.55 8.43 8.05 1ri1A1 GLY 236 HA2 -0.06 -0.02 0.36 -0.51 4.01 3.78 1ri1A1 GLY 236 HA3 -0.18 0.05 0.30 -0.51 4.01 3.68 1ri1A1 PHE 237 H -0.05 0.59 -0.11 -0.55 8.34 8.22 1ri1A1 PHE 237 HA -0.10 0.04 0.52 -0.75 4.62 4.32 1ri1A1 PHE 237 HB2 -0.13 0.10 0.18 -0.04 3.15 3.26 1ri1A1 PHE 237 HB3 -0.05 0.02 -0.05 -0.04 3.06 2.93 1ri1A1 PHE 237 HD2 -1.22 -0.01 -0.07 -0.04 7.28 5.94 1ri1A1 PHE 237 HE2 -0.41 -0.01 -0.03 -0.04 7.38 6.90 1ri1A1 PHE 237 HZ -0.60 -0.03 -0.07 -0.04 7.32 6.58 1ri1A1 LYS 238 H 0.21 0.75 0.14 -0.55 8.42 8.96 1ri1A1 LYS 238 HA 0.13 0.12 0.37 -0.75 4.32 4.19 1ri1A1 LYS 238 HB2 0.15 -0.04 0.11 -0.04 1.87 2.05 1ri1A1 LYS 238 HB3 0.09 0.07 0.09 -0.04 1.79 2.00 1ri1A1 LYS 238 HG2 0.06 0.01 -0.03 -0.04 1.46 1.46 1ri1A1 LYS 238 HG3 0.08 -0.03 0.05 -0.04 1.46 1.52 1ri1A1 LYS 238 HD2 0.08 -0.06 -0.00 -0.04 1.69 1.66 1ri1A1 LYS 238 HD3 0.06 0.00 -0.03 -0.04 1.68 1.67 1ri1A1 LYS 238 HE2 0.05 -0.01 -0.00 -0.04 2.99 2.98 1ri1A1 LYS 238 HE3 0.04 -0.03 -0.01 -0.04 2.99 2.95 1ri1A1 ARG 239 H 0.07 0.38 -0.62 -0.55 8.46 7.73 1ri1A1 ARG 239 HA 0.03 0.00 0.46 -0.75 4.34 4.09 1ri1A1 ARG 239 HB2 0.02 0.16 0.12 -0.04 1.90 2.16 1ri1A1 ARG 239 HB3 0.01 0.08 0.01 -0.04 1.80 1.86 1ri1A1 ARG 239 HG2 0.00 -0.06 0.02 -0.04 1.67 1.59 1ri1A1 ARG 239 HG3 0.01 -0.01 0.10 -0.04 1.67 1.73 1ri1A1 ARG 239 HD2 0.02 0.01 -0.02 -0.04 3.22 3.19 1ri1A1 ARG 239 HD3 0.01 -0.05 -0.02 -0.04 3.22 3.12 1ri1A1 LEU 240 H 0.08 0.63 -0.19 -0.55 8.37 8.33 1ri1A1 LEU 240 HA 0.02 0.14 0.85 -0.75 4.35 4.61 1ri1A1 LEU 240 HB2 0.09 0.02 0.15 -0.04 1.64 1.85 1ri1A1 LEU 240 HB3 0.02 -0.04 0.19 -0.04 1.64 1.77 1ri1A1 LEU 240 HG 0.03 0.11 -0.04 -0.04 1.64 1.70 1ri1A1 LEU 240 HD13 0.05 -0.03 -0.12 -0.04 0.93 0.79 1ri1A1 LEU 240 HD23 0.01 -0.00 -0.03 -0.04 0.89 0.82 1ri1A1 GLY 241 H 0.04 0.30 -0.27 -0.55 8.43 7.96 1ri1A1 GLY 241 HA2 0.02 -0.02 0.27 -0.51 4.01 3.77 1ri1A1 GLY 241 HA3 -0.00 0.15 0.67 -0.51 4.01 4.32 1ri1A1 LEU 242 H 0.06 0.43 -0.17 -0.55 8.37 8.15 1ri1A1 LEU 242 HA -0.01 0.37 0.91 -0.75 4.35 4.86 1ri1A1 LEU 242 HB2 -0.19 -0.05 -0.05 -0.04 1.64 1.30 1ri1A1 LEU 242 HB3 -0.15 -0.09 -0.20 -0.04 1.64 1.16 1ri1A1 LEU 242 HG -0.15 0.05 -0.38 -0.04 1.64 1.12 1ri1A1 LEU 242 HD13 -0.11 -0.00 -0.29 -0.04 0.93 0.49 1ri1A1 LEU 242 HD23 -0.67 -0.01 -0.21 -0.04 0.89 -0.04 1ri1A1 SER 243 H 0.06 0.61 0.33 -0.55 8.46 8.91 1ri1A1 SER 243 HA 0.15 0.13 0.87 -0.75 4.49 4.88 1ri1A1 SER 243 HB2 0.01 0.01 0.02 -0.04 3.95 3.96 1ri1A1 SER 243 HB3 0.03 0.02 0.04 -0.04 3.93 3.98 1ri1A1 LEU 244 H -0.03 0.13 0.16 -0.55 8.37 8.08 1ri1A1 LEU 244 HA -0.88 0.12 0.63 -0.75 4.35 3.46 1ri1A1 LEU 244 HB2 -0.34 -0.02 0.11 -0.04 1.64 1.34 1ri1A1 LEU 244 HB3 -0.08 0.01 0.19 -0.04 1.64 1.71 1ri1A1 LEU 244 HG -0.10 -0.01 -0.24 -0.04 1.64 1.25 1ri1A1 LEU 244 HD13 -0.33 0.02 -0.02 -0.04 0.93 0.56 1ri1A1 LEU 244 HD23 0.15 -0.01 -0.03 -0.04 0.89 0.96 1ri1A1 VAL 245 H -0.20 0.80 0.51 -0.55 8.24 8.80 1ri1A1 VAL 245 HA 0.00 0.23 1.07 -0.75 4.13 4.67 1ri1A1 VAL 245 HB 0.14 -0.01 0.11 -0.04 2.12 2.32 1ri1A1 VAL 245 HG13 0.04 0.04 -0.18 -0.04 0.97 0.82 1ri1A1 VAL 245 HG23 0.18 0.03 -0.25 -0.04 0.95 0.87 1ri1A1 GLU 246 H -0.09 0.14 0.18 -0.55 8.60 8.27 1ri1A1 GLU 246 HA 0.04 0.06 0.45 -0.75 4.29 4.09 1ri1A1 GLU 246 HB2 0.14 0.30 -0.04 -0.04 2.09 2.45 1ri1A1 GLU 246 HB3 0.04 -0.07 -0.12 -0.04 1.99 1.79 1ri1A1 GLU 246 HG2 0.19 0.03 -0.15 -0.04 2.34 2.36 1ri1A1 GLU 246 HG3 0.07 -0.07 -0.47 -0.04 2.34 1.82 1ri1A1 ARG 247 H 0.05 0.25 0.04 -0.55 8.46 8.25 1ri1A1 ARG 247 HA 0.07 0.46 1.02 -0.75 4.34 5.14 1ri1A1 ARG 247 HB2 0.14 -0.00 -0.04 -0.04 1.90 1.96 1ri1A1 ARG 247 HB3 0.01 -0.01 0.14 -0.04 1.80 1.90 1ri1A1 ARG 247 HG2 -0.05 -0.05 -0.21 -0.04 1.67 1.32 1ri1A1 ARG 247 HG3 0.04 0.06 0.00 -0.04 1.67 1.73 1ri1A1 ARG 247 HD2 -0.51 -0.00 -0.02 -0.04 3.22 2.66 1ri1A1 ARG 247 HD3 -0.30 0.01 -0.01 -0.04 3.22 2.87 1ri1A1 LYS 248 H 0.06 0.56 0.30 -0.55 8.42 8.78 1ri1A1 LYS 248 HA 0.07 0.16 0.96 -0.75 4.32 4.76 1ri1A1 LYS 248 HB2 0.14 0.05 -0.23 -0.04 1.87 1.78 1ri1A1 LYS 248 HB3 0.23 0.00 -0.01 -0.04 1.79 1.97 1ri1A1 LYS 248 HG2 0.19 -0.04 -0.02 -0.04 1.46 1.55 1ri1A1 LYS 248 HG3 0.11 0.03 0.08 -0.04 1.46 1.63 1ri1A1 LYS 248 HD2 0.15 0.06 -0.07 -0.04 1.69 1.79 1ri1A1 LYS 248 HD3 0.33 -0.01 -0.08 -0.04 1.68 1.88 1ri1A1 LYS 248 HE2 0.09 -0.15 -0.37 -0.04 2.99 2.52 1ri1A1 LYS 248 HE3 0.06 0.02 -0.07 -0.04 2.99 2.96 1ri1A1 GLY 249 H 0.10 0.16 0.19 -0.55 8.43 8.33 1ri1A1 GLY 249 HA2 0.14 0.15 0.62 -0.51 4.01 4.40 1ri1A1 GLY 249 HA3 0.11 0.03 0.40 -0.51 4.01 4.04 1ri1A1 PHE 250 H 0.38 0.64 0.34 -0.55 8.34 9.15 1ri1A1 PHE 250 HA 0.12 0.04 0.29 -0.75 4.62 4.32 1ri1A1 PHE 250 HB2 0.09 0.25 0.18 -0.04 3.15 3.63 1ri1A1 PHE 250 HB3 0.09 -0.06 -0.15 -0.04 3.06 2.90 1ri1A1 PHE 250 HD2 0.06 -0.07 -0.16 -0.04 7.28 7.07 1ri1A1 PHE 250 HE2 0.04 0.04 -0.16 -0.04 7.38 7.26 1ri1A1 PHE 250 HZ -0.27 -0.01 -0.07 -0.04 7.32 6.93 1ri1A1 ILE 251 H 0.22 0.15 -0.18 -0.55 8.25 7.89 1ri1A1 ILE 251 HA 0.21 0.07 0.32 -0.75 4.18 4.02 1ri1A1 ILE 251 HB 0.11 -0.02 0.03 -0.04 1.89 1.98 1ri1A1 ILE 251 HG12 0.11 -0.01 0.04 -0.04 1.49 1.59 1ri1A1 ILE 251 HG13 0.07 0.06 0.01 -0.04 1.21 1.30 1ri1A1 ILE 251 HG23 0.12 0.01 -0.11 -0.04 0.93 0.91 1ri1A1 ILE 251 HD13 0.07 0.02 -0.06 -0.04 0.88 0.87 1ri1A1 ASP 252 H 0.16 0.09 -0.16 -0.55 8.40 7.94 1ri1A1 ASP 252 HA 0.10 0.08 0.45 -0.75 4.63 4.51 1ri1A1 ASP 252 HB2 0.12 -0.02 0.15 -0.04 2.71 2.92 1ri1A1 ASP 252 HB3 0.07 0.07 0.01 -0.04 2.70 2.81 1ri1A1 PHE 253 H 0.28 0.65 -0.09 -0.55 8.34 8.62 1ri1A1 PHE 253 HA 0.02 0.03 0.30 -0.75 4.62 4.21 1ri1A1 PHE 253 HB2 0.03 -0.04 -0.11 -0.04 3.15 2.99 1ri1A1 PHE 253 HB3 -0.01 0.07 -0.01 -0.04 3.06 3.07 1ri1A1 PHE 253 HD2 -0.05 -0.02 -0.20 -0.04 7.28 6.97 1ri1A1 PHE 253 HE2 -0.11 0.06 -0.06 -0.04 7.38 7.23 1ri1A1 PHE 253 HZ -0.09 0.03 -0.17 -0.04 7.32 7.05 1ri1A1 TYR 254 H 0.37 0.69 -0.28 -0.55 8.29 8.52 1ri1A1 TYR 254 HA 0.25 0.00 0.36 -0.75 4.56 4.42 1ri1A1 TYR 254 HB2 0.16 0.03 0.06 -0.04 3.06 3.27 1ri1A1 TYR 254 HB3 0.13 0.08 0.19 -0.04 2.98 3.34 1ri1A1 TYR 254 HD2 0.23 0.04 -0.05 -0.04 7.15 7.33 1ri1A1 TYR 254 HE2 -0.12 -0.03 -0.06 -0.04 6.85 6.61 1ri1A1 GLU 255 H 0.18 0.70 -0.00 -0.55 8.60 8.93 1ri1A1 GLU 255 HA -0.13 -0.02 0.39 -0.75 4.29 3.78 1ri1A1 GLU 255 HB2 0.04 0.03 0.15 -0.04 2.09 2.28 1ri1A1 GLU 255 HB3 0.01 -0.03 0.03 -0.04 1.99 1.96 1ri1A1 GLU 255 HG2 0.18 -0.11 0.03 -0.04 2.34 2.40 1ri1A1 GLU 255 HG3 0.18 0.48 0.12 -0.04 2.34 3.08 1ri1A1 ASP 256 H -0.03 0.80 -0.07 -0.55 8.40 8.55 1ri1A1 ASP 256 HA -0.07 0.02 0.40 -0.75 4.63 4.23 1ri1A1 ASP 256 HB2 -0.14 0.09 0.11 -0.04 2.71 2.73 1ri1A1 ASP 256 HB3 -0.14 -0.01 -0.06 -0.04 2.70 2.45 1ri1A1 GLU 257 H -0.22 0.61 -0.13 -0.55 8.60 8.32 1ri1A1 GLU 257 HA -0.18 0.05 0.50 -0.75 4.29 3.90 1ri1A1 GLU 257 HB2 -0.17 0.09 0.09 -0.04 2.09 2.06 1ri1A1 GLU 257 HB3 -0.24 -0.05 -0.06 -0.04 1.99 1.60 1ri1A1 GLU 257 HG2 -1.05 0.14 0.05 -0.04 2.34 1.44 1ri1A1 GLU 257 HG3 -0.87 -0.05 -0.06 -0.04 2.34 1.31 1ri1A1 GLY 258 H -0.10 0.73 -0.09 -0.55 8.43 8.42 1ri1A1 GLY 258 HA2 0.00 0.00 0.26 -0.51 4.01 3.77 1ri1A1 GLY 258 HA3 -0.31 0.01 0.24 -0.51 4.01 3.44 1ri1A1 ARG 259 H -0.09 0.26 -0.77 -0.55 8.46 7.31 1ri1A1 ARG 259 HA -0.06 0.10 0.69 -0.75 4.34 4.31 1ri1A1 ARG 259 HB2 -0.06 0.17 0.10 -0.04 1.90 2.06 1ri1A1 ARG 259 HB3 -0.05 -0.06 0.03 -0.04 1.80 1.69 1ri1A1 ARG 259 HG2 -0.06 -0.05 -0.04 -0.04 1.67 1.47 1ri1A1 ARG 259 HG3 -0.07 0.24 0.01 -0.04 1.67 1.80 1ri1A1 ARG 259 HD2 -0.04 -0.03 -0.01 -0.04 3.22 3.11 1ri1A1 ARG 259 HD3 -0.03 -0.07 -0.03 -0.04 3.22 3.04 1ri1A1 ARG 260 H -0.06 0.25 -0.06 -0.55 8.46 8.03 1ri1A1 ARG 260 HA -0.04 0.12 0.71 -0.75 4.34 4.38 1ri1A1 ARG 260 HB2 -0.09 0.02 0.15 -0.04 1.90 1.94 1ri1A1 ARG 260 HB3 -0.07 -0.03 0.08 -0.04 1.80 1.74 1ri1A1 ARG 260 HG2 -0.06 -0.03 0.02 -0.04 1.67 1.57 1ri1A1 ARG 260 HG3 -0.06 -0.02 -0.06 -0.04 1.67 1.48 1ri1A1 ARG 260 HD2 -0.12 0.01 -0.05 -0.04 3.22 3.02 1ri1A1 ARG 260 HD3 -0.09 -0.03 -0.02 -0.04 3.22 3.04 1ri1A1 ASN 261 H -0.01 0.46 -0.22 -0.55 8.53 8.22 1ri1A1 ASN 261 HA -0.01 0.19 0.88 -0.75 4.76 5.08 1ri1A1 ASN 261 HB2 0.10 0.04 0.08 -0.04 2.88 3.06 1ri1A1 ASN 261 HB3 0.03 -0.16 0.12 -0.04 2.79 2.75 1ri1A1 ASN 261 HD21 -0.07 0.05 -0.07 -0.04 7.03 6.90 1ri1A1 ASN 261 HD22 -0.03 -0.06 -0.02 -0.04 7.74 7.58 1ri1A1 PRO 262 HA -0.04 0.13 0.41 -0.51 4.44 4.44 1ri1A1 PRO 262 HB2 -0.02 -0.02 0.00 -0.04 2.28 2.21 1ri1A1 PRO 262 HB3 -0.03 0.01 0.09 -0.04 2.02 2.05 1ri1A1 PRO 262 HG2 -0.03 0.04 0.01 -0.04 2.03 2.01 1ri1A1 PRO 262 HG3 -0.04 0.16 -0.00 -0.04 2.03 2.11 1ri1A1 PRO 262 HD2 -0.02 0.08 -0.05 -0.04 3.68 3.65 1ri1A1 PRO 262 HD3 -0.02 0.13 -0.92 -0.04 3.65 2.80 1ri1A1 GLU 263 H 0.00 0.15 -0.38 -0.55 8.60 7.83 1ri1A1 GLU 263 HA 0.00 0.09 0.45 -0.75 4.29 4.07 1ri1A1 GLU 263 HB2 0.01 0.04 -0.04 -0.04 2.09 2.06 1ri1A1 GLU 263 HB3 0.00 0.04 0.04 -0.04 1.99 2.03 1ri1A1 GLU 263 HG2 0.02 -0.24 0.03 -0.04 2.34 2.11 1ri1A1 GLU 263 HG3 0.01 0.08 -0.02 -0.04 2.34 2.37 1ri1A1 LEU 264 H 0.06 0.18 -0.11 -0.55 8.37 7.96 1ri1A1 LEU 264 HA 0.08 0.06 0.32 -0.75 4.35 4.05 1ri1A1 LEU 264 HB2 0.07 -0.00 0.06 -0.04 1.64 1.72 1ri1A1 LEU 264 HB3 0.24 0.11 0.02 -0.04 1.64 1.98 1ri1A1 LEU 264 HG 0.40 -0.01 -0.10 -0.04 1.64 1.88 1ri1A1 LEU 264 HD13 0.08 -0.00 0.00 -0.04 0.93 0.97 1ri1A1 LEU 264 HD23 -0.12 0.00 -0.08 -0.04 0.89 0.65 1ri1A1 SER 265 H 0.04 0.26 -0.72 -0.55 8.46 7.49 1ri1A1 SER 265 HA -0.28 0.02 0.32 -0.75 4.49 3.80 1ri1A1 SER 265 HB2 -0.24 0.00 0.02 -0.04 3.95 3.69 1ri1A1 SER 265 HB3 -0.08 0.32 0.21 -0.04 3.93 4.34 1ri1A1 LYS 266 H -0.03 0.50 0.12 -0.55 8.42 8.46 1ri1A1 LYS 266 HA -0.03 -0.03 0.46 -0.75 4.32 3.98 1ri1A1 LYS 266 HB2 -0.01 0.07 0.14 -0.04 1.87 2.04 1ri1A1 LYS 266 HB3 -0.01 -0.02 0.07 -0.04 1.79 1.79 1ri1A1 LYS 266 HG2 -0.03 0.07 0.14 -0.04 1.46 1.60 1ri1A1 LYS 266 HG3 -0.02 -0.02 0.06 -0.04 1.46 1.44 1ri1A1 LYS 266 HD2 -0.02 -0.02 0.05 -0.04 1.69 1.67 1ri1A1 LYS 266 HD3 -0.03 -0.04 0.09 -0.04 1.68 1.66 1ri1A1 LYS 266 HE2 -0.03 -0.02 0.03 -0.04 2.99 2.94 1ri1A1 LYS 266 HE3 -0.02 -0.02 0.03 -0.04 2.99 2.94 1ri1A1 LYS 267 H 0.02 0.48 -0.44 -0.55 8.42 7.92 1ri1A1 LYS 267 HA 0.02 0.02 0.41 -0.75 4.32 4.01 1ri1A1 LYS 267 HB2 0.03 0.13 0.02 -0.04 1.87 2.01 1ri1A1 LYS 267 HB3 0.05 0.02 0.04 -0.04 1.79 1.87 1ri1A1 LYS 267 HG2 0.04 0.00 -0.13 -0.04 1.46 1.33 1ri1A1 LYS 267 HG3 0.02 -0.03 0.01 -0.04 1.46 1.42 1ri1A1 LYS 267 HD2 0.02 -0.02 -0.08 -0.04 1.69 1.57 1ri1A1 LYS 267 HD3 0.03 -0.04 -0.14 -0.04 1.68 1.49 1ri1A1 LYS 267 HE2 0.03 -0.01 -0.05 -0.04 2.99 2.92 1ri1A1 LYS 267 HE3 0.02 -0.00 -0.06 -0.04 2.99 2.91 1ri1A1 MET 268 H 0.04 0.45 -0.31 -0.55 8.47 8.10 1ri1A1 MET 268 HA 0.05 0.09 0.69 -0.75 4.52 4.59 1ri1A1 MET 268 HB2 0.12 0.07 0.06 -0.04 2.15 2.35 1ri1A1 MET 268 HB3 0.11 -0.10 0.12 -0.04 2.03 2.12 1ri1A1 MET 268 HG2 0.09 -0.04 -0.09 -0.04 2.63 2.55 1ri1A1 MET 268 HG3 0.14 0.14 0.02 -0.04 2.56 2.82 1ri1A1 MET 268 HE3 0.08 -0.00 -0.10 -0.04 2.10 2.04 1ri1A1 GLY 269 H 0.00 0.13 -0.77 -0.55 8.43 7.24 1ri1A1 GLY 269 HA2 -0.01 -0.03 0.36 -0.51 4.01 3.82 1ri1A1 GLY 269 HA3 0.00 -0.04 0.27 -0.51 4.01 3.74 1ri1A1 LEU 270 H -0.05 0.24 0.00 -0.55 8.37 8.02 1ri1A1 LEU 270 HA -0.01 0.06 0.44 -0.75 4.35 4.08 1ri1A1 LEU 270 HB2 0.02 -0.22 -0.01 -0.04 1.64 1.39 1ri1A1 LEU 270 HB3 -0.02 0.23 -0.22 -0.04 1.64 1.59 1ri1A1 LEU 270 HG -0.18 0.21 -0.29 -0.04 1.64 1.33 1ri1A1 LEU 270 HD13 -0.41 -0.03 -0.31 -0.04 0.93 0.14 1ri1A1 LEU 270 HD23 -0.33 0.01 -0.22 -0.04 0.89 0.31 1ri1A1 GLY 271 H 0.04 0.04 -0.09 -0.55 8.43 7.88 1ri1A1 GLY 271 HA2 -0.01 -0.06 0.30 -0.51 4.01 3.73 1ri1A1 GLY 271 HA3 -0.02 0.26 0.79 -0.51 4.01 4.52 1ri1A1 CYS 272 H 0.08 0.09 0.07 -0.55 8.50 8.19 1ri1A1 CYS 272 HA 0.06 -0.02 0.38 -0.75 4.58 4.25 1ri1A1 CYS 272 HB2 0.02 -0.01 -0.25 -0.04 2.97 2.68 1ri1A1 CYS 272 HB3 0.02 0.14 0.25 -0.04 2.97 3.34 1ri1A1 LEU 273 H 0.06 0.06 0.06 -0.55 8.37 8.01 1ri1A1 LEU 273 HA 0.00 0.13 0.53 -0.75 4.35 4.26 1ri1A1 LEU 273 HB2 -0.02 -0.01 0.01 -0.04 1.64 1.58 1ri1A1 LEU 273 HB3 -0.04 -0.02 -0.08 -0.04 1.64 1.45 1ri1A1 LEU 273 HG -0.06 -0.03 -0.11 -0.04 1.64 1.40 1ri1A1 LEU 273 HD13 -0.29 0.01 -0.10 -0.04 0.93 0.50 1ri1A1 LEU 273 HD23 -0.09 0.03 -0.15 -0.04 0.89 0.64 1ri1A1 THR 274 H 0.01 0.09 0.17 -0.55 8.28 8.01 1ri1A1 THR 274 HA 0.04 0.23 0.47 -0.75 4.39 4.38 1ri1A1 THR 274 HB 0.08 0.07 0.17 -0.04 4.32 4.59 1ri1A1 THR 274 HG23 0.06 0.06 0.10 -0.04 1.22 1.40 1ri1A1 ARG 275 H 0.05 0.26 0.19 -0.55 8.46 8.41 1ri1A1 ARG 275 HA 0.05 0.10 0.38 -0.75 4.34 4.12 1ri1A1 ARG 275 HB2 0.05 0.00 0.13 -0.04 1.90 2.04 1ri1A1 ARG 275 HB3 0.05 0.05 0.04 -0.04 1.80 1.91 1ri1A1 ARG 275 HG2 0.04 0.02 0.05 -0.04 1.67 1.74 1ri1A1 ARG 275 HG3 0.04 0.02 0.09 -0.04 1.67 1.78 1ri1A1 ARG 275 HD2 0.03 0.01 0.03 -0.04 3.22 3.26 1ri1A1 ARG 275 HD3 0.03 0.02 0.02 -0.04 3.22 3.25 1ri1A1 GLU 276 H 0.12 0.06 -0.30 -0.55 8.60 7.94 1ri1A1 GLU 276 HA 0.19 0.15 0.42 -0.75 4.29 4.30 1ri1A1 GLU 276 HB2 0.50 0.02 0.01 -0.04 2.09 2.58 1ri1A1 GLU 276 HB3 0.27 -0.00 0.08 -0.04 1.99 2.30 1ri1A1 GLU 276 HG2 0.13 -0.06 0.07 -0.04 2.34 2.44 1ri1A1 GLU 276 HG3 0.10 0.09 0.05 -0.04 2.34 2.53 1ri1A1 GLU 277 H 0.08 0.13 -0.24 -0.55 8.60 8.03 1ri1A1 GLU 277 HA -0.31 0.10 0.51 -0.75 4.29 3.83 1ri1A1 GLU 277 HB2 -0.07 0.07 0.08 -0.04 2.09 2.13 1ri1A1 GLU 277 HB3 -0.21 -0.00 0.01 -0.04 1.99 1.75 1ri1A1 GLU 277 HG2 -0.63 0.08 0.04 -0.04 2.34 1.78 1ri1A1 GLU 277 HG3 -0.01 -0.08 0.06 -0.04 2.34 2.26 1ri1A1 SER 278 H 0.02 0.54 -0.19 -0.55 8.46 8.28 1ri1A1 SER 278 HA -0.02 -0.01 0.31 -0.75 4.49 4.02 1ri1A1 SER 278 HB2 0.03 0.14 0.02 -0.04 3.95 4.11 1ri1A1 SER 278 HB3 0.02 -0.03 -0.01 -0.04 3.93 3.88 1ri1A1 GLU 279 H 0.05 0.35 -0.46 -0.55 8.60 8.00 1ri1A1 GLU 279 HA -0.01 0.05 0.33 -0.75 4.29 3.91 1ri1A1 GLU 279 HB2 0.15 0.13 0.08 -0.04 2.09 2.41 1ri1A1 GLU 279 HB3 0.14 -0.01 -0.16 -0.04 1.99 1.92 1ri1A1 GLU 279 HG2 0.08 0.01 -0.02 -0.04 2.34 2.37 1ri1A1 GLU 279 HG3 0.08 0.00 0.00 -0.04 2.34 2.38 1ri1A1 VAL 280 H -0.03 0.24 -0.35 -0.55 8.24 7.56 1ri1A1 VAL 280 HA -0.33 0.08 0.38 -0.75 4.13 3.50 1ri1A1 VAL 280 HB -0.07 0.07 0.11 -0.04 2.12 2.20 1ri1A1 VAL 280 HG13 0.08 0.00 -0.08 -0.04 0.97 0.93 1ri1A1 VAL 280 HG23 0.13 0.02 0.00 -0.04 0.95 1.07 1ri1A1 VAL 281 H -0.03 0.43 -0.07 -0.55 8.24 8.02 1ri1A1 VAL 281 HA 0.15 0.06 0.41 -0.75 4.13 4.00 1ri1A1 VAL 281 HB 0.01 0.04 0.09 -0.04 2.12 2.22 1ri1A1 VAL 281 HG13 0.22 -0.02 -0.18 -0.04 0.97 0.95 1ri1A1 VAL 281 HG23 -0.03 0.04 0.01 -0.04 0.95 0.92 1ri1A1 GLY 282 H -0.01 0.82 -0.14 -0.55 8.43 8.55 1ri1A1 GLY 282 HA2 0.05 -0.16 0.35 -0.51 4.01 3.74 1ri1A1 GLY 282 HA3 -0.02 0.07 0.29 -0.51 4.01 3.84 1ri1A1 ILE 283 H -0.20 0.33 -0.76 -0.55 8.25 7.07 1ri1A1 ILE 283 HA -0.30 0.02 0.47 -0.75 4.18 3.61 1ri1A1 ILE 283 HB -0.81 0.14 0.07 -0.04 1.89 1.25 1ri1A1 ILE 283 HG12 -0.36 -0.07 -0.02 -0.04 1.49 1.00 1ri1A1 ILE 283 HG13 -0.38 0.31 0.10 -0.04 1.21 1.20 1ri1A1 ILE 283 HG23 -0.78 -0.05 -0.08 -0.04 0.93 -0.02 1ri1A1 ILE 283 HD13 -0.58 -0.03 -0.03 -0.04 0.88 0.21 1ri1A1 TYR 284 H -0.32 0.40 -0.07 -0.55 8.29 7.76 1ri1A1 TYR 284 HA -0.35 0.10 0.80 -0.75 4.56 4.35 1ri1A1 TYR 284 HB2 -2.10 0.05 0.07 -0.04 3.06 1.04 1ri1A1 TYR 284 HB3 -1.02 0.02 -0.04 -0.04 2.98 1.90 1ri1A1 TYR 284 HD2 -0.22 0.04 -0.18 -0.04 7.15 6.75 1ri1A1 TYR 284 HE2 -0.17 0.01 -0.06 -0.04 6.85 6.60 1ri1A1 GLU 285 H -0.05 0.69 0.36 -0.55 8.60 9.05 1ri1A1 GLU 285 HA 0.27 0.01 0.95 -0.75 4.29 4.76 1ri1A1 GLU 285 HB2 0.07 0.04 -0.04 -0.04 2.09 2.12 1ri1A1 GLU 285 HB3 0.01 -0.04 -0.16 -0.04 1.99 1.75 1ri1A1 GLU 285 HG2 0.05 0.08 -0.11 -0.04 2.34 2.32 1ri1A1 GLU 285 HG3 0.11 0.07 -0.36 -0.04 2.34 2.11 1ri1A1 VAL 286 H 0.10 0.79 0.38 -0.55 8.24 8.96 1ri1A1 VAL 286 HA -0.03 0.27 1.05 -0.75 4.13 4.67 1ri1A1 VAL 286 HB -0.14 -0.09 0.15 -0.04 2.12 2.00 1ri1A1 VAL 286 HG13 -0.24 0.03 -0.14 -0.04 0.97 0.58 1ri1A1 VAL 286 HG23 -0.70 -0.01 -0.10 -0.04 0.95 0.10 1ri1A1 VAL 287 H -0.06 0.57 0.36 -0.55 8.24 8.57 1ri1A1 VAL 287 HA 0.06 0.43 1.09 -0.75 4.13 4.95 1ri1A1 VAL 287 HB 0.12 -0.04 -0.00 -0.04 2.12 2.16 1ri1A1 VAL 287 HG13 0.22 -0.00 -0.01 -0.04 0.97 1.13 1ri1A1 VAL 287 HG23 0.26 -0.01 -0.27 -0.04 0.95 0.88 1ri1A1 VAL 288 H -0.10 0.43 0.36 -0.55 8.24 8.38 1ri1A1 VAL 288 HA -0.15 0.32 1.08 -0.75 4.13 4.62 1ri1A1 VAL 288 HB -0.12 -0.08 -0.01 -0.04 2.12 1.87 1ri1A1 VAL 288 HG13 -0.32 0.02 -0.24 -0.04 0.97 0.38 1ri1A1 VAL 288 HG23 -0.44 -0.03 -0.21 -0.04 0.95 0.23 1ri1A1 PHE 289 H 0.15 0.60 0.34 -0.55 8.34 8.88 1ri1A1 PHE 289 HA -0.02 0.29 1.09 -0.75 4.62 5.23 1ri1A1 PHE 289 HB2 -0.13 0.02 0.04 -0.04 3.15 3.04 1ri1A1 PHE 289 HB3 -0.22 0.02 -0.15 -0.04 3.06 2.67 1ri1A1 PHE 289 HD2 0.00 0.04 -0.42 -0.04 7.28 6.87 1ri1A1 PHE 289 HE2 0.13 -0.03 -0.12 -0.04 7.38 7.32 1ri1A1 PHE 289 HZ -0.05 -0.07 -0.16 -0.04 7.32 7.00 1ri1A1 ARG 290 H 0.03 0.47 0.34 -0.55 8.46 8.75 1ri1A1 ARG 290 HA -0.19 0.33 1.08 -0.75 4.34 4.81 1ri1A1 ARG 290 HB2 -0.26 -0.05 -0.13 -0.04 1.90 1.42 1ri1A1 ARG 290 HB3 -0.13 -0.09 0.01 -0.04 1.80 1.54 1ri1A1 ARG 290 HG2 -0.33 -0.01 -0.36 -0.04 1.67 0.93 1ri1A1 ARG 290 HG3 -1.13 0.19 -0.20 -0.04 1.67 0.48 1ri1A1 ARG 290 HD2 -0.35 -0.06 -0.08 -0.04 3.22 2.69 1ri1A1 ARG 290 HD3 -0.17 -0.11 -0.12 -0.04 3.22 2.78 1ri1A1 LYS 291 H -0.17 0.84 0.14 -0.55 8.42 8.67 1ri1A1 LYS 291 HA -0.06 0.27 0.73 -0.75 4.32 4.50 1ri1A1 LYS 291 HB2 -0.08 0.01 0.02 -0.04 1.87 1.78 1ri1A1 LYS 291 HB3 -0.08 -0.08 0.30 -0.04 1.79 1.88 1ri1A1 LYS 291 HG2 -0.05 -0.11 -0.01 -0.04 1.46 1.26 1ri1A1 LYS 291 HG3 -0.05 0.07 -0.04 -0.04 1.46 1.40 1ri1A1 LYS 291 HD2 -0.06 -0.03 -0.06 -0.04 1.69 1.50 1ri1A1 LYS 291 HD3 -0.04 0.05 -0.45 -0.04 1.68 1.19 1ri1A1 LYS 291 HE2 -0.03 -0.14 0.00 -0.04 2.99 2.78 1ri1A1 LYS 291 HE3 -0.04 0.01 0.03 -0.04 2.99 2.96 1ri1A1 LEU 292 H -0.04 0.34 0.20 -0.55 8.37 8.32 1ri1A1 LEU 292 HA -0.05 0.08 0.32 -0.75 4.35 3.94 1ri1A1 LEU 292 HB2 -0.01 0.05 0.10 -0.04 1.64 1.73 1ri1A1 LEU 292 HB3 -0.01 -0.02 0.07 -0.04 1.64 1.64 1ri1A1 LEU 292 HG -0.02 0.04 0.03 -0.04 1.64 1.65 1ri1A1 LEU 292 HD13 0.00 -0.01 -0.00 -0.04 0.93 0.88 1ri1A1 LEU 292 HD23 -0.04 -0.00 -0.10 -0.04 0.89 0.71