============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 19 1.000 54.761 34.093 -5.813 -99.200 -91.000 PHE 28 1.000 59.574 48.599 -7.170 -99.200 -91.000 TYR 45 0.840 52.282 31.074 4.584 -99.200 -91.000 HIS 52 0.900 61.481 33.769 -9.372 -99.200 -91.000 PHE 55 1.000 60.490 34.274 1.408 -99.200 -91.000 TYR 66 0.840 48.529 27.510 20.016 -99.200 -91.000 TYR 77 0.840 49.668 29.407 15.738 -99.200 -91.000 TYR 79 0.840 55.806 20.130 12.924 -99.200 -91.000 PHE 80 1.000 50.292 26.810 9.914 -99.200 -91.000 PHE 86 1.000 59.367 30.151 8.939 -99.200 -91.000 PHE 91 1.000 61.263 34.458 5.729 -99.200 -91.000 TYR 95 0.840 63.864 37.553 15.399 -99.200 -91.000 TYR 110 0.840 63.363 38.319 22.304 -99.200 -91.000 TYR 111 0.840 57.536 38.178 18.877 -99.200 -91.000 TYR 118 0.840 65.899 42.274 13.080 -99.200 -91.000 HIS 132 0.900 39.486 35.493 15.449 -99.200 -91.000 PHE 135 1.000 45.689 32.405 19.022 -99.200 -91.000 PHE 142 1.000 40.843 49.665 17.987 -99.200 -91.000 HIS 147 0.900 47.793 41.247 24.005 -99.200 -91.000 PHE 162 1.000 44.379 19.050 15.682 -99.200 -91.000 PHE 163 1.000 48.208 19.756 22.396 -99.200 -91.000 PHE 192 1.000 41.308 34.106 0.117 -99.200 -91.000 HIS 220 0.900 48.898 50.246 7.935 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ri1A1 GLY -1 HA2 -0.02 -0.05 0.17 -0.51 4.01 3.60 2ri1A1 GLY -1 HA3 -0.02 -0.14 0.18 -0.51 4.01 3.52 2ri1A1 SER 0 H -0.01 0.17 0.12 -0.55 8.46 8.20 2ri1A1 SER 0 HA -0.00 0.15 -0.14 -0.75 4.49 3.74 2ri1A1 SER 0 HB2 -0.00 -0.11 -0.04 -0.04 3.95 3.76 2ri1A1 SER 0 HB3 -0.01 -0.05 0.02 -0.04 3.93 3.86 2ri1A1 MET 1 H -0.00 0.10 0.03 -0.55 8.47 8.06 2ri1A1 MET 1 HA 0.00 0.39 0.92 -0.75 4.52 5.08 2ri1A1 MET 1 HB2 -0.00 0.10 -0.09 -0.04 2.15 2.11 2ri1A1 MET 1 HB3 -0.01 0.02 0.05 -0.04 2.03 2.06 2ri1A1 MET 1 HG2 -0.01 -0.06 -0.07 -0.04 2.63 2.45 2ri1A1 MET 1 HG3 -0.01 0.05 -0.41 -0.04 2.56 2.15 2ri1A1 MET 1 HE3 -0.02 0.06 -0.26 -0.04 2.10 1.84 2ri1A1 LYS 2 H -0.00 0.40 0.27 -0.55 8.42 8.53 2ri1A1 LYS 2 HA -0.00 0.06 0.63 -0.75 4.32 4.26 2ri1A1 LYS 2 HB2 -0.00 -0.01 0.12 -0.04 1.87 1.93 2ri1A1 LYS 2 HB3 -0.00 -0.00 -0.01 -0.04 1.79 1.74 2ri1A1 LYS 2 HG2 -0.00 -0.00 -0.01 -0.04 1.46 1.40 2ri1A1 LYS 2 HG3 -0.00 0.07 -0.01 -0.04 1.46 1.48 2ri1A1 LYS 2 HD2 -0.01 -0.02 -0.01 -0.04 1.69 1.62 2ri1A1 LYS 2 HD3 -0.01 0.02 -0.03 -0.04 1.68 1.62 2ri1A1 LYS 2 HE2 -0.01 -0.02 -0.05 -0.04 2.99 2.88 2ri1A1 LYS 2 HE3 -0.00 -0.01 -0.08 -0.04 2.99 2.86 2ri1A1 THR 3 H -0.00 0.18 0.19 -0.55 8.28 8.10 2ri1A1 THR 3 HA -0.01 0.26 0.91 -0.75 4.39 4.80 2ri1A1 THR 3 HB -0.00 -0.05 0.10 -0.04 4.32 4.33 2ri1A1 THR 3 HG23 -0.00 -0.03 -0.21 -0.04 1.22 0.93 2ri1A1 ILE 4 H 0.00 0.81 0.31 -0.55 8.25 8.82 2ri1A1 ILE 4 HA 0.01 0.14 0.73 -0.75 4.18 4.31 2ri1A1 ILE 4 HB 0.03 -0.08 0.14 -0.04 1.89 1.94 2ri1A1 ILE 4 HG12 0.01 0.04 -0.01 -0.04 1.49 1.49 2ri1A1 ILE 4 HG13 0.01 -0.01 -0.28 -0.04 1.21 0.90 2ri1A1 ILE 4 HG23 0.03 -0.00 -0.08 -0.04 0.93 0.83 2ri1A1 ILE 4 HD13 0.02 -0.01 -0.09 -0.04 0.88 0.76 2ri1A1 LYS 5 H 0.02 0.19 0.04 -0.55 8.42 8.11 2ri1A1 LYS 5 HA 0.03 0.32 0.86 -0.75 4.32 4.78 2ri1A1 LYS 5 HB2 0.02 0.01 0.06 -0.04 1.87 1.92 2ri1A1 LYS 5 HB3 0.02 -0.04 -0.11 -0.04 1.79 1.61 2ri1A1 LYS 5 HG2 0.02 -0.06 -0.15 -0.04 1.46 1.23 2ri1A1 LYS 5 HG3 0.01 0.01 -0.10 -0.04 1.46 1.35 2ri1A1 LYS 5 HD2 0.01 0.00 -0.07 -0.04 1.69 1.59 2ri1A1 LYS 5 HD3 0.01 -0.02 -0.06 -0.04 1.68 1.57 2ri1A1 LYS 5 HE2 0.01 -0.10 -0.13 -0.04 2.99 2.73 2ri1A1 LYS 5 HE3 0.00 -0.01 -0.05 -0.04 2.99 2.90 2ri1A1 VAL 6 H 0.06 0.50 0.35 -0.55 8.24 8.59 2ri1A1 VAL 6 HA 0.03 0.22 0.79 -0.75 4.13 4.41 2ri1A1 VAL 6 HB 0.03 -0.17 -0.03 -0.04 2.12 1.90 2ri1A1 VAL 6 HG13 0.06 0.05 -0.38 -0.04 0.97 0.66 2ri1A1 VAL 6 HG23 0.14 0.01 -0.29 -0.04 0.95 0.77 2ri1A1 LYS 7 H 0.01 0.20 0.16 -0.55 8.42 8.23 2ri1A1 LYS 7 HA 0.01 0.12 0.49 -0.75 4.32 4.19 2ri1A1 LYS 7 HB2 0.00 0.10 0.16 -0.04 1.87 2.09 2ri1A1 LYS 7 HB3 -0.01 -0.08 0.15 -0.04 1.79 1.81 2ri1A1 LYS 7 HG2 -0.00 -0.06 -0.04 -0.04 1.46 1.31 2ri1A1 LYS 7 HG3 0.00 0.06 0.08 -0.04 1.46 1.57 2ri1A1 LYS 7 HD2 -0.01 0.05 0.03 -0.04 1.69 1.72 2ri1A1 LYS 7 HD3 -0.01 -0.06 -0.01 -0.04 1.68 1.55 2ri1A1 LYS 7 HE2 -0.01 0.02 0.00 -0.04 2.99 2.96 2ri1A1 LYS 7 HE3 -0.00 -0.02 0.01 -0.04 2.99 2.94 2ri1A1 ASN 8 H -0.01 0.19 -0.01 -0.55 8.53 8.15 2ri1A1 ASN 8 HA -0.01 0.12 0.78 -0.75 4.76 4.89 2ri1A1 ASN 8 HB2 -0.07 -0.08 0.15 -0.04 2.88 2.84 2ri1A1 ASN 8 HB3 -0.03 0.25 -0.23 -0.04 2.79 2.74 2ri1A1 ASN 8 HD21 -0.03 0.10 -0.03 -0.04 7.03 7.02 2ri1A1 ASN 8 HD22 -0.02 0.12 -0.09 -0.04 7.74 7.71 2ri1A1 LYS 9 H -0.20 0.23 0.17 -0.55 8.42 8.06 2ri1A1 LYS 9 HA -1.62 0.11 0.38 -0.75 4.32 2.43 2ri1A1 LYS 9 HB2 -0.44 -0.01 0.12 -0.04 1.87 1.50 2ri1A1 LYS 9 HB3 -0.28 0.03 0.13 -0.04 1.79 1.62 2ri1A1 LYS 9 HG2 -0.35 0.01 -0.19 -0.04 1.46 0.89 2ri1A1 LYS 9 HG3 -0.95 0.06 0.03 -0.04 1.46 0.56 2ri1A1 LYS 9 HD2 -0.02 -0.04 -0.00 -0.04 1.69 1.59 2ri1A1 LYS 9 HD3 -0.09 0.03 -0.02 -0.04 1.68 1.56 2ri1A1 LYS 9 HE2 -0.03 -0.11 -0.00 -0.04 2.99 2.80 2ri1A1 LYS 9 HE3 0.10 0.18 0.06 -0.04 2.99 3.28 2ri1A1 THR 10 H -0.19 0.11 -0.11 -0.55 8.28 7.54 2ri1A1 THR 10 HA -0.15 0.13 0.39 -0.75 4.39 4.01 2ri1A1 THR 10 HB -0.09 -0.06 0.04 -0.04 4.32 4.18 2ri1A1 THR 10 HG23 -0.06 0.05 -0.12 -0.04 1.22 1.04 2ri1A1 GLU 11 H -0.11 0.04 -0.27 -0.55 8.60 7.72 2ri1A1 GLU 11 HA -0.03 0.17 0.49 -0.75 4.29 4.17 2ri1A1 GLU 11 HB2 -0.03 -0.11 0.12 -0.04 2.09 2.02 2ri1A1 GLU 11 HB3 -0.01 0.09 0.01 -0.04 1.99 2.04 2ri1A1 GLU 11 HG2 -0.04 -0.06 -0.00 -0.04 2.34 2.20 2ri1A1 GLU 11 HG3 -0.02 -0.01 0.05 -0.04 2.34 2.32 2ri1A1 GLY 12 H -0.11 0.38 -0.09 -0.55 8.43 8.05 2ri1A1 GLY 12 HA2 0.10 0.11 0.49 -0.51 4.01 4.21 2ri1A1 GLY 12 HA3 0.19 0.04 0.19 -0.51 4.01 3.92 2ri1A1 SER 13 H -0.13 0.45 -0.28 -0.55 8.46 7.95 2ri1A1 SER 13 HA 0.08 0.06 0.50 -0.75 4.49 4.38 2ri1A1 SER 13 HB2 -0.08 0.14 0.03 -0.04 3.95 4.00 2ri1A1 SER 13 HB3 -0.01 -0.02 -0.20 -0.04 3.93 3.66 2ri1A1 LYS 14 H -0.00 0.29 -0.21 -0.55 8.42 7.94 2ri1A1 LYS 14 HA 0.07 0.10 0.57 -0.75 4.32 4.30 2ri1A1 LYS 14 HB2 0.01 0.02 0.17 -0.04 1.87 2.02 2ri1A1 LYS 14 HB3 0.02 0.02 0.02 -0.04 1.79 1.80 2ri1A1 LYS 14 HG2 -0.06 0.02 0.02 -0.04 1.46 1.40 2ri1A1 LYS 14 HG3 -0.04 0.17 0.07 -0.04 1.46 1.62 2ri1A1 LYS 14 HD2 -0.03 0.01 -0.01 -0.04 1.69 1.63 2ri1A1 LYS 14 HD3 -0.06 0.03 -0.02 -0.04 1.68 1.59 2ri1A1 LYS 14 HE2 -0.05 -0.01 -0.15 -0.04 2.99 2.74 2ri1A1 LYS 14 HE3 -0.03 -0.05 -0.06 -0.04 2.99 2.82 2ri1A1 VAL 15 H 0.06 0.38 -0.21 -0.55 8.24 7.92 2ri1A1 VAL 15 HA 0.07 0.04 0.42 -0.75 4.13 3.92 2ri1A1 VAL 15 HB 0.07 0.08 0.15 -0.04 2.12 2.37 2ri1A1 VAL 15 HG13 0.05 0.00 -0.13 -0.04 0.97 0.85 2ri1A1 VAL 15 HG23 0.04 0.05 0.03 -0.04 0.95 1.02 2ri1A1 ALA 16 H 0.10 0.52 -0.17 -0.55 8.40 8.31 2ri1A1 ALA 16 HA 0.07 0.04 0.35 -0.75 4.34 4.04 2ri1A1 ALA 16 HB3 0.10 0.01 0.05 -0.04 1.41 1.52 2ri1A1 PHE 17 H 0.24 0.49 -0.21 -0.55 8.34 8.30 2ri1A1 PHE 17 HA 0.08 0.02 0.56 -0.75 4.62 4.53 2ri1A1 PHE 17 HB2 0.04 0.04 0.14 -0.04 3.15 3.34 2ri1A1 PHE 17 HB3 0.03 0.10 0.14 -0.04 3.06 3.28 2ri1A1 PHE 17 HD2 0.05 0.03 -0.16 -0.04 7.28 7.15 2ri1A1 PHE 17 HE2 -0.01 0.02 -0.06 -0.04 7.38 7.29 2ri1A1 PHE 17 HZ -0.08 -0.06 -0.00 -0.04 7.32 7.13 2ri1A1 ARG 18 H 0.20 0.54 -0.13 -0.55 8.46 8.51 2ri1A1 ARG 18 HA 0.03 0.03 0.47 -0.75 4.34 4.11 2ri1A1 ARG 18 HB2 0.09 0.10 0.17 -0.04 1.90 2.21 2ri1A1 ARG 18 HB3 0.07 -0.04 0.01 -0.04 1.80 1.81 2ri1A1 ARG 18 HG2 0.18 -0.03 0.03 -0.04 1.67 1.81 2ri1A1 ARG 18 HG3 0.21 0.13 0.06 -0.04 1.67 2.02 2ri1A1 ARG 18 HD2 0.07 -0.01 -0.01 -0.04 3.22 3.24 2ri1A1 ARG 18 HD3 0.08 -0.03 -0.02 -0.04 3.22 3.21 2ri1A1 MET 19 H 0.03 0.50 -0.19 -0.55 8.47 8.26 2ri1A1 MET 19 HA 0.01 0.02 0.40 -0.75 4.52 4.20 2ri1A1 MET 19 HB2 0.02 0.11 0.10 -0.04 2.15 2.35 2ri1A1 MET 19 HB3 0.01 -0.01 -0.05 -0.04 2.03 1.94 2ri1A1 MET 19 HG2 0.02 -0.05 -0.03 -0.04 2.63 2.54 2ri1A1 MET 19 HG3 0.04 0.30 0.01 -0.04 2.56 2.86 2ri1A1 MET 19 HE3 0.01 0.01 -0.08 -0.04 2.10 1.99 2ri1A1 LEU 20 H -0.04 0.62 -0.07 -0.55 8.37 8.34 2ri1A1 LEU 20 HA 0.01 0.02 0.51 -0.75 4.35 4.14 2ri1A1 LEU 20 HB2 0.03 0.01 0.09 -0.04 1.64 1.73 2ri1A1 LEU 20 HB3 -0.15 0.10 0.20 -0.04 1.64 1.76 2ri1A1 LEU 20 HG 0.04 -0.00 -0.30 -0.04 1.64 1.33 2ri1A1 LEU 20 HD13 0.10 -0.01 -0.03 -0.04 0.93 0.94 2ri1A1 LEU 20 HD23 0.19 -0.01 -0.06 -0.04 0.89 0.97 2ri1A1 GLU 21 H -0.31 0.65 -0.12 -0.55 8.60 8.28 2ri1A1 GLU 21 HA -0.09 0.03 0.39 -0.75 4.29 3.86 2ri1A1 GLU 21 HB2 -0.45 0.00 0.09 -0.04 2.09 1.69 2ri1A1 GLU 21 HB3 -0.17 0.11 0.10 -0.04 1.99 1.99 2ri1A1 GLU 21 HG2 0.02 -0.00 -0.20 -0.04 2.34 2.12 2ri1A1 GLU 21 HG3 0.01 -0.03 0.07 -0.04 2.34 2.34 2ri1A1 GLU 22 H 0.00 0.38 -0.32 -0.55 8.60 8.11 2ri1A1 GLU 22 HA 0.14 0.00 0.58 -0.75 4.29 4.25 2ri1A1 GLU 22 HB2 0.05 0.11 0.16 -0.04 2.09 2.38 2ri1A1 GLU 22 HB3 0.12 0.00 -0.09 -0.04 1.99 1.98 2ri1A1 GLU 22 HG2 0.08 0.00 0.04 -0.04 2.34 2.41 2ri1A1 GLU 22 HG3 0.07 -0.03 -0.00 -0.04 2.34 2.33 2ri1A1 GLU 23 H 0.05 0.62 -0.01 -0.55 8.60 8.71 2ri1A1 GLU 23 HA 0.11 0.07 0.44 -0.75 4.29 4.15 2ri1A1 GLU 23 HB2 0.05 0.09 0.14 -0.04 2.09 2.33 2ri1A1 GLU 23 HB3 0.06 -0.05 -0.05 -0.04 1.99 1.91 2ri1A1 GLU 23 HG2 0.03 0.23 0.04 -0.04 2.34 2.60 2ri1A1 GLU 23 HG3 0.03 -0.02 -0.05 -0.04 2.34 2.25 2ri1A1 ILE 24 H 0.06 0.53 -0.19 -0.55 8.25 8.10 2ri1A1 ILE 24 HA 0.08 0.10 0.53 -0.75 4.18 4.13 2ri1A1 ILE 24 HB 0.04 0.06 0.08 -0.04 1.89 2.03 2ri1A1 ILE 24 HG12 0.15 0.03 -0.07 -0.04 1.49 1.56 2ri1A1 ILE 24 HG13 0.10 0.03 -0.01 -0.04 1.21 1.29 2ri1A1 ILE 24 HG23 0.03 0.01 -0.13 -0.04 0.93 0.80 2ri1A1 ILE 24 HD13 0.22 -0.03 -0.15 -0.04 0.88 0.87 2ri1A1 THR 25 H 0.05 0.35 -0.15 -0.55 8.28 7.99 2ri1A1 THR 25 HA -0.06 0.09 0.57 -0.75 4.39 4.24 2ri1A1 THR 25 HB -0.07 -0.04 0.12 -0.04 4.32 4.29 2ri1A1 THR 25 HG23 0.02 -0.05 0.19 -0.04 1.22 1.34 2ri1A1 PHE 26 H 0.21 0.43 -0.28 -0.55 8.34 8.15 2ri1A1 PHE 26 HA 0.01 0.10 0.71 -0.75 4.62 4.67 2ri1A1 PHE 26 HB2 0.01 0.10 0.13 -0.04 3.15 3.35 2ri1A1 PHE 26 HB3 0.01 -0.03 0.14 -0.04 3.06 3.14 2ri1A1 PHE 26 HD2 0.01 0.09 0.04 -0.04 7.28 7.38 2ri1A1 PHE 26 HE2 0.01 -0.04 -0.01 -0.04 7.38 7.29 2ri1A1 PHE 26 HZ 0.01 -0.04 -0.02 -0.04 7.32 7.23 2ri1A1 GLY 27 H 0.07 0.26 -0.42 -0.55 8.43 7.80 2ri1A1 GLY 27 HA2 0.04 0.02 0.18 -0.51 4.01 3.74 2ri1A1 GLY 27 HA3 0.07 0.14 0.77 -0.51 4.01 4.47 2ri1A1 ALA 28 H 0.09 0.58 0.16 -0.55 8.40 8.68 2ri1A1 ALA 28 HA 0.06 0.00 0.56 -0.75 4.34 4.21 2ri1A1 ALA 28 HB3 0.07 -0.03 -0.16 -0.04 1.41 1.25 2ri1A1 LYS 29 H 0.07 -0.04 0.28 -0.55 8.42 8.17 2ri1A1 LYS 29 HA 0.08 0.18 0.87 -0.75 4.32 4.70 2ri1A1 LYS 29 HB2 0.07 0.01 0.12 -0.04 1.87 2.03 2ri1A1 LYS 29 HB3 0.08 -0.00 0.11 -0.04 1.79 1.93 2ri1A1 LYS 29 HG2 0.06 0.14 -0.51 -0.04 1.46 1.10 2ri1A1 LYS 29 HG3 0.05 0.02 -0.04 -0.04 1.46 1.45 2ri1A1 LYS 29 HD2 0.05 -0.05 0.02 -0.04 1.69 1.67 2ri1A1 LYS 29 HD3 0.06 0.08 0.04 -0.04 1.68 1.82 2ri1A1 LYS 29 HE2 0.03 -0.07 -0.01 -0.04 2.99 2.89 2ri1A1 LYS 29 HE3 0.04 0.02 -0.05 -0.04 2.99 2.96 2ri1A1 THR 30 H 0.06 0.00 0.26 -0.55 8.28 8.06 2ri1A1 THR 30 HA 0.04 0.40 1.19 -0.75 4.39 5.27 2ri1A1 THR 30 HB 0.06 0.11 0.07 -0.04 4.32 4.51 2ri1A1 THR 30 HG23 0.01 0.02 -0.23 -0.04 1.22 0.99 2ri1A1 LEU 31 H -0.03 0.72 0.43 -0.55 8.37 8.94 2ri1A1 LEU 31 HA 0.01 0.23 1.09 -0.75 4.35 4.93 2ri1A1 LEU 31 HB2 -0.09 -0.06 0.13 -0.04 1.64 1.58 2ri1A1 LEU 31 HB3 -0.00 0.04 -0.01 -0.04 1.64 1.62 2ri1A1 LEU 31 HG 0.11 0.04 -0.16 -0.04 1.64 1.59 2ri1A1 LEU 31 HD13 0.01 -0.01 -0.10 -0.04 0.93 0.79 2ri1A1 LEU 31 HD23 0.07 0.01 -0.15 -0.04 0.89 0.78 2ri1A1 GLY 32 H -0.00 0.63 0.44 -0.55 8.43 8.95 2ri1A1 GLY 32 HA2 -0.03 0.21 1.06 -0.51 4.01 4.74 2ri1A1 GLY 32 HA3 -0.01 -0.01 0.45 -0.51 4.01 3.92 2ri1A1 LEU 33 H -0.01 0.64 0.47 -0.55 8.37 8.92 2ri1A1 LEU 33 HA 0.07 0.14 0.98 -0.75 4.35 4.79 2ri1A1 LEU 33 HB2 0.01 -0.03 0.02 -0.04 1.64 1.60 2ri1A1 LEU 33 HB3 0.11 0.01 0.08 -0.04 1.64 1.79 2ri1A1 LEU 33 HG -0.08 0.01 -0.33 -0.04 1.64 1.19 2ri1A1 LEU 33 HD13 -0.09 0.00 -0.10 -0.04 0.93 0.70 2ri1A1 LEU 33 HD23 0.09 0.03 -0.09 -0.04 0.89 0.88 2ri1A1 ALA 34 H 0.20 0.16 0.18 -0.55 8.40 8.40 2ri1A1 ALA 34 HA -0.06 0.07 0.93 -0.75 4.34 4.52 2ri1A1 ALA 34 HB3 -0.03 0.05 -0.11 -0.04 1.41 1.28 2ri1A1 THR 35 H -0.20 0.06 0.16 -0.55 8.28 7.75 2ri1A1 THR 35 HA 0.02 0.30 0.84 -0.75 4.39 4.79 2ri1A1 THR 35 HB -0.80 -0.08 0.17 -0.04 4.32 3.57 2ri1A1 THR 35 HG23 -0.60 0.01 -0.10 -0.04 1.22 0.49 2ri1A1 GLY 36 H -0.55 0.14 0.10 -0.55 8.43 7.57 2ri1A1 GLY 36 HA2 -0.03 0.06 0.31 -0.51 4.01 3.84 2ri1A1 GLY 36 HA3 -0.03 0.08 0.46 -0.51 4.01 4.00 2ri1A1 SER 37 H 0.07 0.12 0.16 -0.55 8.46 8.26 2ri1A1 SER 37 HA 0.13 0.14 0.45 -0.75 4.49 4.45 2ri1A1 SER 37 HB2 0.09 0.03 0.12 -0.04 3.95 4.16 2ri1A1 SER 37 HB3 0.08 -0.01 0.11 -0.04 3.93 4.07 2ri1A1 THR 38 H 0.04 0.07 -0.08 -0.55 8.28 7.76 2ri1A1 THR 38 HA 0.18 -0.03 0.24 -0.75 4.39 4.02 2ri1A1 THR 38 HB -0.02 0.11 0.04 -0.04 4.32 4.40 2ri1A1 THR 38 HG23 -0.08 0.04 -0.15 -0.04 1.22 1.00 2ri1A1 PRO 39 HA -0.09 0.13 0.86 -0.51 4.44 4.82 2ri1A1 PRO 39 HB2 -1.07 0.02 0.06 -0.04 2.28 1.25 2ri1A1 PRO 39 HB3 -0.25 0.03 -0.04 -0.04 2.02 1.72 2ri1A1 PRO 39 HG2 -0.28 0.11 -0.32 -0.04 2.03 1.50 2ri1A1 PRO 39 HG3 -0.12 0.00 -0.29 -0.04 2.03 1.58 2ri1A1 PRO 39 HD2 0.02 0.31 -0.59 -0.04 3.68 3.38 2ri1A1 PRO 39 HD3 -0.04 0.05 -0.18 -0.04 3.65 3.44 2ri1A1 LEU 40 H -0.01 0.51 -0.32 -0.55 8.37 8.00 2ri1A1 LEU 40 HA -0.00 0.13 0.31 -0.75 4.35 4.04 2ri1A1 LEU 40 HB2 0.03 0.02 0.13 -0.04 1.64 1.78 2ri1A1 LEU 40 HB3 0.03 0.00 -0.00 -0.04 1.64 1.63 2ri1A1 LEU 40 HG 0.14 0.07 0.13 -0.04 1.64 1.93 2ri1A1 LEU 40 HD13 0.10 -0.02 -0.01 -0.04 0.93 0.97 2ri1A1 LEU 40 HD23 0.22 -0.01 -0.06 -0.04 0.89 1.00 2ri1A1 GLU 41 H -0.03 0.12 -0.14 -0.55 8.60 8.00 2ri1A1 GLU 41 HA -0.02 0.14 0.56 -0.75 4.29 4.22 2ri1A1 GLU 41 HB2 -0.08 -0.01 -0.03 -0.04 2.09 1.93 2ri1A1 GLU 41 HB3 -0.06 0.04 -0.01 -0.04 1.99 1.92 2ri1A1 GLU 41 HG2 -0.04 0.07 -0.03 -0.04 2.34 2.30 2ri1A1 GLU 41 HG3 -0.06 -0.00 -0.01 -0.04 2.34 2.23 2ri1A1 LEU 42 H -0.05 0.05 -0.24 -0.55 8.37 7.59 2ri1A1 LEU 42 HA 0.08 0.10 0.56 -0.75 4.35 4.33 2ri1A1 LEU 42 HB2 0.06 -0.04 0.13 -0.04 1.64 1.75 2ri1A1 LEU 42 HB3 -0.09 0.01 0.12 -0.04 1.64 1.64 2ri1A1 LEU 42 HG 0.20 0.07 -0.30 -0.04 1.64 1.56 2ri1A1 LEU 42 HD13 0.26 -0.01 -0.05 -0.04 0.93 1.09 2ri1A1 LEU 42 HD23 0.04 -0.00 -0.06 -0.04 0.89 0.83 2ri1A1 TYR 43 H -0.10 0.57 -0.15 -0.55 8.29 8.06 2ri1A1 TYR 43 HA 0.10 0.03 0.53 -0.75 4.56 4.47 2ri1A1 TYR 43 HB2 -0.01 0.03 0.13 -0.04 3.06 3.17 2ri1A1 TYR 43 HB3 -0.01 0.34 0.07 -0.04 2.98 3.33 2ri1A1 TYR 43 HD2 0.03 -0.03 -0.12 -0.04 7.15 6.99 2ri1A1 TYR 43 HE2 0.12 0.02 -0.03 -0.04 6.85 6.91 2ri1A1 LYS 44 H 0.08 0.31 -0.11 -0.55 8.42 8.14 2ri1A1 LYS 44 HA 0.03 0.10 0.52 -0.75 4.32 4.21 2ri1A1 LYS 44 HB2 0.00 0.01 0.13 -0.04 1.87 1.97 2ri1A1 LYS 44 HB3 0.00 -0.03 0.22 -0.04 1.79 1.94 2ri1A1 LYS 44 HG2 -0.04 0.00 -0.16 -0.04 1.46 1.23 2ri1A1 LYS 44 HG3 -0.02 0.02 -0.01 -0.04 1.46 1.40 2ri1A1 LYS 44 HD2 -0.02 0.01 0.00 -0.04 1.69 1.64 2ri1A1 LYS 44 HD3 -0.02 -0.06 0.02 -0.04 1.68 1.58 2ri1A1 LYS 44 HE2 -0.03 -0.05 -0.01 -0.04 2.99 2.85 2ri1A1 LYS 44 HE3 -0.04 -0.02 -0.03 -0.04 2.99 2.87 2ri1A1 GLU 45 H 0.01 0.44 -0.17 -0.55 8.60 8.33 2ri1A1 GLU 45 HA -0.15 -0.00 0.32 -0.75 4.29 3.71 2ri1A1 GLU 45 HB2 -0.10 0.03 0.13 -0.04 2.09 2.11 2ri1A1 GLU 45 HB3 -0.07 0.10 0.07 -0.04 1.99 2.04 2ri1A1 GLU 45 HG2 -0.96 0.01 -0.09 -0.04 2.34 1.26 2ri1A1 GLU 45 HG3 -0.34 -0.03 0.02 -0.04 2.34 1.96 2ri1A1 ILE 46 H 0.19 0.47 -0.16 -0.55 8.25 8.21 2ri1A1 ILE 46 HA 0.40 -0.05 0.51 -0.75 4.18 4.28 2ri1A1 ILE 46 HB 0.31 0.11 0.16 -0.04 1.89 2.43 2ri1A1 ILE 46 HG12 0.53 -0.07 0.01 -0.04 1.49 1.92 2ri1A1 ILE 46 HG13 0.49 0.15 0.07 -0.04 1.21 1.88 2ri1A1 ILE 46 HG23 0.38 -0.01 -0.13 -0.04 0.93 1.13 2ri1A1 ILE 46 HD13 0.45 -0.03 -0.11 -0.04 0.88 1.15 2ri1A1 ARG 47 H 0.09 0.53 -0.11 -0.55 8.46 8.43 2ri1A1 ARG 47 HA 0.04 0.03 0.30 -0.75 4.34 3.96 2ri1A1 ARG 47 HB2 0.02 0.11 0.24 -0.04 1.90 2.22 2ri1A1 ARG 47 HB3 0.00 -0.09 -0.00 -0.04 1.80 1.67 2ri1A1 ARG 47 HG2 0.03 -0.06 0.04 -0.04 1.67 1.64 2ri1A1 ARG 47 HG3 0.05 0.26 0.13 -0.04 1.67 2.07 2ri1A1 ARG 47 HD2 -0.02 -0.10 -0.07 -0.04 3.22 2.99 2ri1A1 ARG 47 HD3 -0.04 0.07 -0.26 -0.04 3.22 2.95 2ri1A1 GLU 48 H -0.03 0.38 -0.22 -0.55 8.60 8.19 2ri1A1 GLU 48 HA -0.03 0.13 0.76 -0.75 4.29 4.39 2ri1A1 GLU 48 HB2 -0.09 0.01 0.04 -0.04 2.09 2.00 2ri1A1 GLU 48 HB3 -0.06 -0.10 0.13 -0.04 1.99 1.92 2ri1A1 GLU 48 HG2 -0.03 -0.03 -0.03 -0.04 2.34 2.20 2ri1A1 GLU 48 HG3 -0.03 0.17 0.01 -0.04 2.34 2.44 2ri1A1 SER 49 H -0.02 0.37 -0.46 -0.55 8.46 7.81 2ri1A1 SER 49 HA -0.11 0.04 0.61 -0.75 4.49 4.28 2ri1A1 SER 49 HB2 0.07 -0.18 0.16 -0.04 3.95 3.96 2ri1A1 SER 49 HB3 -0.10 0.28 0.17 -0.04 3.93 4.24 2ri1A1 HIS 50 H -0.12 0.04 0.15 -0.55 8.41 7.94 2ri1A1 HIS 50 HA -0.04 0.25 0.70 -0.75 4.63 4.78 2ri1A1 HIS 50 HB2 -0.02 0.00 0.14 -0.04 3.26 3.35 2ri1A1 HIS 50 HB3 -0.01 -0.01 0.07 -0.04 3.20 3.22 2ri1A1 HIS 50 HD2 0.02 0.08 -0.55 -0.04 6.97 6.48 2ri1A1 HIS 50 HE1 0.03 -0.02 -0.02 -0.04 7.75 7.70 2ri1A1 LEU 51 H 0.14 0.01 -0.19 -0.55 8.37 7.79 2ri1A1 LEU 51 HA -0.04 0.01 0.44 -0.75 4.35 4.00 2ri1A1 LEU 51 HB2 -0.24 0.10 -0.01 -0.04 1.64 1.45 2ri1A1 LEU 51 HB3 -0.57 -0.01 -0.09 -0.04 1.64 0.93 2ri1A1 LEU 51 HG 0.17 -0.07 0.03 -0.04 1.64 1.73 2ri1A1 LEU 51 HD13 -0.01 0.00 -0.05 -0.04 0.93 0.83 2ri1A1 LEU 51 HD23 -0.04 -0.00 -0.01 -0.04 0.89 0.80 2ri1A1 ASP 52 H -0.29 0.16 0.10 -0.55 8.40 7.82 2ri1A1 ASP 52 HA -0.30 0.19 0.79 -0.75 4.63 4.56 2ri1A1 ASP 52 HB2 -0.13 0.16 -0.09 -0.04 2.71 2.61 2ri1A1 ASP 52 HB3 -0.14 -0.01 0.12 -0.04 2.70 2.62 2ri1A1 PHE 53 H -0.31 0.34 0.01 -0.55 8.34 7.82 2ri1A1 PHE 53 HA -0.26 0.17 0.62 -0.75 4.62 4.39 2ri1A1 PHE 53 HB2 -0.86 0.32 -0.25 -0.04 3.15 2.32 2ri1A1 PHE 53 HB3 -1.51 -0.11 0.05 -0.04 3.06 1.45 2ri1A1 PHE 53 HD2 -0.33 0.20 -0.18 -0.04 7.28 6.93 2ri1A1 PHE 53 HE2 0.02 0.00 -0.14 -0.04 7.38 7.21 2ri1A1 PHE 53 HZ 0.09 -0.05 -0.11 -0.04 7.32 7.20 2ri1A1 SER 54 H -0.08 0.09 -0.41 -0.55 8.46 7.51 2ri1A1 SER 54 HA -0.03 0.15 0.08 -0.75 4.49 3.94 2ri1A1 SER 54 HB2 -0.03 0.02 0.02 -0.04 3.95 3.92 2ri1A1 SER 54 HB3 -0.05 0.03 0.01 -0.04 3.93 3.88 2ri1A1 ASP 55 H -0.00 0.12 -0.18 -0.55 8.40 7.79 2ri1A1 ASP 55 HA 0.01 0.21 0.94 -0.75 4.63 5.04 2ri1A1 ASP 55 HB2 0.00 -0.05 0.05 -0.04 2.71 2.67 2ri1A1 ASP 55 HB3 0.02 0.05 0.06 -0.04 2.70 2.79 2ri1A1 MET 56 H 0.04 0.39 -0.13 -0.55 8.47 8.22 2ri1A1 MET 56 HA 0.09 0.25 0.82 -0.75 4.52 4.93 2ri1A1 MET 56 HB2 0.10 -0.02 0.12 -0.04 2.15 2.31 2ri1A1 MET 56 HB3 0.22 0.08 0.10 -0.04 2.03 2.39 2ri1A1 MET 56 HG2 0.10 0.10 0.03 -0.04 2.63 2.83 2ri1A1 MET 56 HG3 0.08 -0.19 -0.12 -0.04 2.56 2.29 2ri1A1 MET 56 HE3 0.17 -0.01 -0.26 -0.04 2.10 1.96 2ri1A1 VAL 57 H 0.09 0.73 0.49 -0.55 8.24 9.01 2ri1A1 VAL 57 HA -0.07 0.26 1.03 -0.75 4.13 4.60 2ri1A1 VAL 57 HB -0.09 -0.00 0.14 -0.04 2.12 2.12 2ri1A1 VAL 57 HG13 -0.32 -0.01 -0.08 -0.04 0.97 0.52 2ri1A1 VAL 57 HG23 -0.24 -0.00 -0.13 -0.04 0.95 0.54 2ri1A1 SER 58 H -0.43 0.45 0.47 -0.55 8.46 8.41 2ri1A1 SER 58 HA -0.36 0.31 1.17 -0.75 4.49 4.86 2ri1A1 SER 58 HB2 -0.66 0.00 0.05 -0.04 3.95 3.30 2ri1A1 SER 58 HB3 -2.58 0.03 -0.01 -0.04 3.93 1.33 2ri1A1 ILE 59 H -0.12 0.66 0.42 -0.55 8.25 8.66 2ri1A1 ILE 59 HA 0.05 0.15 0.89 -0.75 4.18 4.52 2ri1A1 ILE 59 HB -0.04 0.00 0.05 -0.04 1.89 1.86 2ri1A1 ILE 59 HG12 -0.09 -0.06 -0.05 -0.04 1.49 1.25 2ri1A1 ILE 59 HG13 -0.02 -0.03 -0.79 -0.04 1.21 0.33 2ri1A1 ILE 59 HG23 -0.04 -0.02 -0.09 -0.04 0.93 0.74 2ri1A1 ILE 59 HD13 -0.09 -0.00 -0.15 -0.04 0.88 0.59 2ri1A1 ASN 60 H 0.16 0.56 0.26 -0.55 8.53 8.97 2ri1A1 ASN 60 HA 0.01 0.17 0.98 -0.75 4.76 5.17 2ri1A1 ASN 60 HB2 0.10 0.09 0.14 -0.04 2.88 3.17 2ri1A1 ASN 60 HB3 -0.04 -0.14 0.05 -0.04 2.79 2.63 2ri1A1 ASN 60 HD21 0.01 0.06 -0.17 -0.04 7.03 6.89 2ri1A1 ASN 60 HD22 -0.10 -0.11 -0.11 -0.04 7.74 7.38 2ri1A1 LEU 61 H -0.08 0.20 0.19 -0.55 8.37 8.14 2ri1A1 LEU 61 HA 0.05 0.13 0.40 -0.75 4.35 4.18 2ri1A1 LEU 61 HB2 -0.19 -0.08 0.15 -0.04 1.64 1.49 2ri1A1 LEU 61 HB3 -0.07 -0.03 0.12 -0.04 1.64 1.62 2ri1A1 LEU 61 HG -0.07 0.22 0.19 -0.04 1.64 1.94 2ri1A1 LEU 61 HD13 -0.10 -0.02 0.06 -0.04 0.93 0.84 2ri1A1 LEU 61 HD23 0.00 0.03 -0.04 -0.04 0.89 0.83 2ri1A1 ASP 62 H -0.13 0.17 -0.08 -0.55 8.40 7.81 2ri1A1 ASP 62 HA -0.07 0.41 0.89 -0.75 4.63 5.10 2ri1A1 ASP 62 HB2 -0.42 -0.05 0.00 -0.04 2.71 2.21 2ri1A1 ASP 62 HB3 0.06 0.02 -0.08 -0.04 2.70 2.67 2ri1A1 GLU 63 H -0.03 0.54 0.36 -0.55 8.60 8.92 2ri1A1 GLU 63 HA 0.14 -0.01 0.18 -0.75 4.29 3.85 2ri1A1 GLU 63 HB2 0.06 0.10 0.17 -0.04 2.09 2.38 2ri1A1 GLU 63 HB3 0.01 -0.06 -0.03 -0.04 1.99 1.86 2ri1A1 GLU 63 HG2 0.09 0.03 0.06 -0.04 2.34 2.48 2ri1A1 GLU 63 HG3 0.10 0.23 -0.01 -0.04 2.34 2.62 2ri1A1 TYR 64 H -0.03 0.04 0.13 -0.55 8.29 7.88 2ri1A1 TYR 64 HA 0.03 0.15 0.94 -0.75 4.56 4.92 2ri1A1 TYR 64 HB2 0.01 -0.09 0.11 -0.04 3.06 3.05 2ri1A1 TYR 64 HB3 -0.02 0.18 0.07 -0.04 2.98 3.17 2ri1A1 TYR 64 HD2 -0.12 -0.02 0.05 -0.04 7.15 7.02 2ri1A1 TYR 64 HE2 -0.45 0.01 -0.06 -0.04 6.85 6.31 2ri1A1 VAL 65 H 0.09 0.48 0.26 -0.55 8.24 8.52 2ri1A1 VAL 65 HA 0.03 0.08 0.53 -0.75 4.13 4.02 2ri1A1 VAL 65 HB 0.01 -0.04 0.08 -0.04 2.12 2.12 2ri1A1 VAL 65 HG13 -0.00 0.03 -0.06 -0.04 0.97 0.90 2ri1A1 VAL 65 HG23 -0.00 -0.02 -0.15 -0.04 0.95 0.73 2ri1A1 GLY 66 H 0.03 0.72 0.23 -0.55 8.43 8.86 2ri1A1 GLY 66 HA2 0.01 0.01 0.28 -0.51 4.01 3.81 2ri1A1 GLY 66 HA3 -0.00 0.16 0.48 -0.51 4.01 4.14 2ri1A1 LEU 67 H 0.08 0.31 -0.44 -0.55 8.37 7.78 2ri1A1 LEU 67 HA 0.06 0.17 0.92 -0.75 4.35 4.75 2ri1A1 LEU 67 HB2 0.15 -0.03 0.04 -0.04 1.64 1.76 2ri1A1 LEU 67 HB3 0.10 -0.01 0.02 -0.04 1.64 1.71 2ri1A1 LEU 67 HG 0.10 0.06 -0.16 -0.04 1.64 1.60 2ri1A1 LEU 67 HD13 0.14 -0.04 -0.18 -0.04 0.93 0.81 2ri1A1 LEU 67 HD23 0.13 0.04 -0.13 -0.04 0.89 0.89 2ri1A1 SER 68 H 0.05 0.15 0.16 -0.55 8.46 8.27 2ri1A1 SER 68 HA 0.05 0.12 0.73 -0.75 4.49 4.64 2ri1A1 SER 68 HB2 0.04 -0.02 0.16 -0.04 3.95 4.09 2ri1A1 SER 68 HB3 0.03 0.13 0.11 -0.04 3.93 4.17 2ri1A1 ALA 69 H 0.07 0.20 0.16 -0.55 8.40 8.28 2ri1A1 ALA 69 HA 0.13 0.00 0.49 -0.75 4.34 4.21 2ri1A1 ALA 69 HB3 0.10 0.04 0.08 -0.04 1.41 1.58 2ri1A1 ASP 70 H 0.06 -0.01 -0.28 -0.55 8.40 7.63 2ri1A1 ASP 70 HA 0.13 0.20 0.49 -0.75 4.63 4.69 2ri1A1 ASP 70 HB2 0.02 -0.03 -0.10 -0.04 2.71 2.56 2ri1A1 ASP 70 HB3 0.04 0.06 0.05 -0.04 2.70 2.81 2ri1A1 ASP 71 H 0.03 0.13 -0.32 -0.55 8.40 7.69 2ri1A1 ASP 71 HA -0.09 0.08 0.58 -0.75 4.63 4.45 2ri1A1 ASP 71 HB2 0.03 -0.09 0.19 -0.04 2.71 2.79 2ri1A1 ASP 71 HB3 0.03 -0.04 0.11 -0.04 2.70 2.76 2ri1A1 LYS 72 H -0.30 0.18 0.22 -0.55 8.42 7.96 2ri1A1 LYS 72 HA -1.36 0.11 0.42 -0.75 4.32 2.74 2ri1A1 LYS 72 HB2 -0.32 0.00 0.10 -0.04 1.87 1.61 2ri1A1 LYS 72 HB3 -0.42 0.04 0.10 -0.04 1.79 1.47 2ri1A1 LYS 72 HG2 -0.94 0.06 0.08 -0.04 1.46 0.61 2ri1A1 LYS 72 HG3 -0.34 -0.02 0.15 -0.04 1.46 1.21 2ri1A1 LYS 72 HD2 -0.17 0.00 0.04 -0.04 1.69 1.52 2ri1A1 LYS 72 HD3 -0.18 0.01 0.04 -0.04 1.68 1.51 2ri1A1 LYS 72 HE2 -0.13 -0.01 0.05 -0.04 2.99 2.86 2ri1A1 LYS 72 HE3 -0.07 -0.00 0.03 -0.04 2.99 2.90 2ri1A1 GLN 73 H -0.16 -0.02 -0.50 -0.55 8.47 7.24 2ri1A1 GLN 73 HA -0.17 0.22 0.73 -0.75 4.36 4.38 2ri1A1 GLN 73 HB2 -0.13 -0.05 0.01 -0.04 2.15 1.94 2ri1A1 GLN 73 HB3 -0.12 -0.01 0.09 -0.04 2.02 1.94 2ri1A1 GLN 73 HG2 -0.51 -0.06 -0.09 -0.04 2.40 1.69 2ri1A1 GLN 73 HG3 -1.44 0.09 -0.04 -0.04 2.39 0.96 2ri1A1 GLN 73 HE21 -0.42 -0.03 0.03 -0.04 6.97 6.51 2ri1A1 GLN 73 HE22 -0.13 -0.03 0.05 -0.04 7.69 7.54 2ri1A1 SER 74 H 0.04 0.53 -0.19 -0.55 8.46 8.30 2ri1A1 SER 74 HA 0.20 0.05 0.43 -0.75 4.49 4.42 2ri1A1 SER 74 HB2 0.17 -0.15 0.11 -0.04 3.95 4.04 2ri1A1 SER 74 HB3 0.12 0.09 0.08 -0.04 3.93 4.18 2ri1A1 TYR 75 H 0.17 0.10 0.21 -0.55 8.29 8.21 2ri1A1 TYR 75 HA 0.16 0.13 0.78 -0.75 4.56 4.87 2ri1A1 TYR 75 HB2 0.01 0.02 0.18 -0.04 3.06 3.23 2ri1A1 TYR 75 HB3 0.02 0.05 0.04 -0.04 2.98 3.05 2ri1A1 TYR 75 HD2 -0.26 -0.01 -0.11 -0.04 7.15 6.73 2ri1A1 TYR 75 HE2 -0.40 -0.02 -0.07 -0.04 6.85 6.32 2ri1A1 ALA 76 H 0.23 0.09 -0.09 -0.55 8.40 8.08 2ri1A1 ALA 76 HA 0.21 0.10 0.45 -0.75 4.34 4.34 2ri1A1 ALA 76 HB3 0.17 0.03 0.12 -0.04 1.41 1.69 2ri1A1 TYR 77 H 0.29 0.08 -0.41 -0.55 8.29 7.70 2ri1A1 TYR 77 HA 0.06 0.07 0.23 -0.75 4.56 4.17 2ri1A1 TYR 77 HB2 0.06 0.16 -0.09 -0.04 3.06 3.15 2ri1A1 TYR 77 HB3 0.07 0.08 0.02 -0.04 2.98 3.11 2ri1A1 TYR 77 HD2 0.02 0.07 -0.12 -0.04 7.15 7.08 2ri1A1 TYR 77 HE2 -0.01 0.01 -0.01 -0.04 6.85 6.79 2ri1A1 PHE 78 H 0.39 0.47 -0.05 -0.55 8.34 8.59 2ri1A1 PHE 78 HA -0.01 0.06 0.50 -0.75 4.62 4.42 2ri1A1 PHE 78 HB2 0.15 0.08 0.08 -0.04 3.15 3.43 2ri1A1 PHE 78 HB3 0.23 -0.02 0.18 -0.04 3.06 3.41 2ri1A1 PHE 78 HD2 0.05 0.06 -0.11 -0.04 7.28 7.24 2ri1A1 PHE 78 HE2 0.11 0.07 -0.03 -0.04 7.38 7.49 2ri1A1 PHE 78 HZ 0.10 0.19 -0.05 -0.04 7.32 7.52 2ri1A1 MET 79 H 0.15 0.54 -0.31 -0.55 8.47 8.30 2ri1A1 MET 79 HA -0.42 0.04 0.40 -0.75 4.52 3.79 2ri1A1 MET 79 HB2 -0.16 0.15 0.10 -0.04 2.15 2.19 2ri1A1 MET 79 HB3 -1.31 -0.04 -0.02 -0.04 2.03 0.63 2ri1A1 MET 79 HG2 0.19 0.08 0.03 -0.04 2.63 2.88 2ri1A1 MET 79 HG3 0.01 -0.05 -0.05 -0.04 2.56 2.42 2ri1A1 MET 79 HE3 -0.59 -0.01 -0.04 -0.04 2.10 1.42 2ri1A1 LYS 80 H -0.18 0.42 -0.22 -0.55 8.42 7.89 2ri1A1 LYS 80 HA -0.08 -0.08 0.45 -0.75 4.32 3.85 2ri1A1 LYS 80 HB2 0.04 0.03 0.08 -0.04 1.87 1.97 2ri1A1 LYS 80 HB3 -0.22 0.15 0.18 -0.04 1.79 1.86 2ri1A1 LYS 80 HG2 -0.12 -0.00 -0.26 -0.04 1.46 1.04 2ri1A1 LYS 80 HG3 0.03 -0.01 -0.05 -0.04 1.46 1.39 2ri1A1 LYS 80 HD2 0.04 -0.02 -0.05 -0.04 1.69 1.62 2ri1A1 LYS 80 HD3 -0.15 0.02 -0.04 -0.04 1.68 1.47 2ri1A1 LYS 80 HE2 -0.03 0.01 -0.06 -0.04 2.99 2.87 2ri1A1 LYS 80 HE3 0.02 0.02 -0.05 -0.04 2.99 2.94 2ri1A1 GLN 81 H -0.41 0.64 -0.08 -0.55 8.47 8.07 2ri1A1 GLN 81 HA -0.25 0.03 0.35 -0.75 4.36 3.72 2ri1A1 GLN 81 HB2 -0.39 0.09 0.14 -0.04 2.15 1.95 2ri1A1 GLN 81 HB3 -0.25 -0.05 0.01 -0.04 2.02 1.69 2ri1A1 GLN 81 HG2 -1.03 0.26 0.06 -0.04 2.40 1.65 2ri1A1 GLN 81 HG3 -0.43 -0.05 -0.01 -0.04 2.39 1.86 2ri1A1 GLN 81 HE21 -0.07 -0.01 -0.01 -0.04 6.97 6.84 2ri1A1 GLN 81 HE22 -0.09 -0.01 -0.00 -0.04 7.69 7.55 2ri1A1 ASN 82 H -0.42 0.27 -0.30 -0.55 8.53 7.53 2ri1A1 ASN 82 HA -0.19 0.11 0.40 -0.75 4.76 4.33 2ri1A1 ASN 82 HB2 -0.60 0.10 0.06 -0.04 2.88 2.40 2ri1A1 ASN 82 HB3 -0.11 -0.05 0.02 -0.04 2.79 2.60 2ri1A1 ASN 82 HD21 -0.58 -0.08 -0.03 -0.04 7.03 6.30 2ri1A1 ASN 82 HD22 -1.17 0.30 0.07 -0.04 7.74 6.90 2ri1A1 LEU 83 H -0.35 0.23 -0.21 -0.55 8.37 7.49 2ri1A1 LEU 83 HA -0.07 0.17 0.70 -0.75 4.35 4.40 2ri1A1 LEU 83 HB2 -0.61 -0.01 -0.35 -0.04 1.64 0.64 2ri1A1 LEU 83 HB3 -0.58 -0.02 0.01 -0.04 1.64 1.01 2ri1A1 LEU 83 HG 0.28 0.09 -0.22 -0.04 1.64 1.75 2ri1A1 LEU 83 HD13 0.18 -0.01 0.02 -0.04 0.93 1.08 2ri1A1 LEU 83 HD23 -0.15 -0.03 -0.09 -0.04 0.89 0.58 2ri1A1 PHE 84 H -0.39 0.44 0.19 -0.55 8.34 8.03 2ri1A1 PHE 84 HA 0.10 0.19 0.07 -0.75 4.62 4.23 2ri1A1 PHE 84 HB2 -0.01 -0.06 -0.04 -0.04 3.15 3.00 2ri1A1 PHE 84 HB3 0.05 -0.00 -0.06 -0.04 3.06 3.01 2ri1A1 PHE 84 HD2 0.09 0.07 -0.16 -0.04 7.28 7.24 2ri1A1 PHE 84 HE2 -0.12 -0.00 -0.11 -0.04 7.38 7.11 2ri1A1 PHE 84 HZ -0.21 -0.03 -0.13 -0.04 7.32 6.90 2ri1A1 ALA 85 H 0.03 0.53 -0.01 -0.55 8.40 8.40 2ri1A1 ALA 85 HA 0.05 0.02 0.50 -0.75 4.34 4.16 2ri1A1 ALA 85 HB3 -0.02 -0.02 0.01 -0.04 1.41 1.34 2ri1A1 ALA 86 H 0.02 0.11 -0.26 -0.55 8.40 7.71 2ri1A1 ALA 86 HA 0.01 0.06 0.57 -0.75 4.34 4.23 2ri1A1 ALA 86 HB3 0.01 0.02 0.03 -0.04 1.41 1.43 2ri1A1 LYS 87 H 0.12 0.39 -0.18 -0.55 8.42 8.20 2ri1A1 LYS 87 HA 0.01 0.19 0.82 -0.75 4.32 4.58 2ri1A1 LYS 87 HB2 0.25 -0.03 0.02 -0.04 1.87 2.06 2ri1A1 LYS 87 HB3 0.04 -0.12 -0.02 -0.04 1.79 1.64 2ri1A1 LYS 87 HG2 0.03 -0.07 -0.46 -0.04 1.46 0.92 2ri1A1 LYS 87 HG3 0.03 -0.06 -0.30 -0.04 1.46 1.09 2ri1A1 LYS 87 HD2 -0.24 -0.05 -0.06 -0.04 1.69 1.30 2ri1A1 LYS 87 HD3 -0.07 0.09 0.06 -0.04 1.68 1.72 2ri1A1 LYS 87 HE2 -0.02 0.05 0.01 -0.04 2.99 2.98 2ri1A1 LYS 87 HE3 -0.04 0.07 -0.02 -0.04 2.99 2.96 2ri1A1 PRO 88 HA 0.15 -0.07 0.47 -0.51 4.44 4.48 2ri1A1 PRO 88 HB2 0.01 0.10 -0.10 -0.04 2.28 2.24 2ri1A1 PRO 88 HB3 0.05 0.01 0.07 -0.04 2.02 2.11 2ri1A1 PRO 88 HG2 0.00 -0.05 -0.02 -0.04 2.03 1.92 2ri1A1 PRO 88 HG3 0.02 0.03 0.00 -0.04 2.03 2.04 2ri1A1 PRO 88 HD2 0.01 0.08 -0.01 -0.04 3.68 3.72 2ri1A1 PRO 88 HD3 0.05 0.24 -0.41 -0.04 3.65 3.49 2ri1A1 PHE 89 H 0.13 -0.01 0.04 -0.55 8.34 7.95 2ri1A1 PHE 89 HA 0.03 0.34 0.61 -0.75 4.62 4.84 2ri1A1 PHE 89 HB2 -0.35 -0.16 -0.19 -0.04 3.15 2.40 2ri1A1 PHE 89 HB3 -0.18 0.18 -0.01 -0.04 3.06 3.01 2ri1A1 PHE 89 HD2 -0.21 -0.03 -0.34 -0.04 7.28 6.66 2ri1A1 PHE 89 HE2 -0.21 0.01 -0.16 -0.04 7.38 6.98 2ri1A1 PHE 89 HZ -0.92 -0.04 -0.12 -0.04 7.32 6.20 2ri1A1 LYS 90 H 0.06 0.44 0.21 -0.55 8.42 8.58 2ri1A1 LYS 90 HA -0.01 0.04 0.57 -0.75 4.32 4.17 2ri1A1 LYS 90 HB2 0.01 0.06 -0.09 -0.04 1.87 1.81 2ri1A1 LYS 90 HB3 -0.00 0.10 -0.07 -0.04 1.79 1.78 2ri1A1 LYS 90 HG2 -0.02 -0.08 -0.19 -0.04 1.46 1.12 2ri1A1 LYS 90 HG3 -0.01 -0.06 0.05 -0.04 1.46 1.40 2ri1A1 LYS 90 HD2 0.02 -0.09 0.01 -0.04 1.69 1.58 2ri1A1 LYS 90 HD3 0.01 0.08 0.06 -0.04 1.68 1.79 2ri1A1 LYS 90 HE2 0.04 0.16 -0.14 -0.04 2.99 3.00 2ri1A1 LYS 90 HE3 0.05 -0.08 -0.07 -0.04 2.99 2.84 2ri1A1 LYS 91 H -0.05 0.39 0.00 -0.55 8.42 8.21 2ri1A1 LYS 91 HA -0.24 0.08 0.63 -0.75 4.32 4.03 2ri1A1 LYS 91 HB2 -0.18 0.08 -0.34 -0.04 1.87 1.39 2ri1A1 LYS 91 HB3 -0.35 -0.03 0.01 -0.04 1.79 1.39 2ri1A1 LYS 91 HG2 -0.52 -0.03 -0.08 -0.04 1.46 0.80 2ri1A1 LYS 91 HG3 -0.80 -0.03 -0.10 -0.04 1.46 0.49 2ri1A1 LYS 91 HD2 -0.16 0.16 0.09 -0.04 1.69 1.74 2ri1A1 LYS 91 HD3 -0.10 -0.01 -0.02 -0.04 1.68 1.51 2ri1A1 LYS 91 HE2 -0.11 -0.00 0.02 -0.04 2.99 2.86 2ri1A1 LYS 91 HE3 -0.07 -0.04 -0.01 -0.04 2.99 2.83 2ri1A1 SER 92 H -0.38 0.23 0.09 -0.55 8.46 7.86 2ri1A1 SER 92 HA -0.48 0.14 0.96 -0.75 4.49 4.37 2ri1A1 SER 92 HB2 -0.59 -0.01 0.10 -0.04 3.95 3.42 2ri1A1 SER 92 HB3 -0.69 -0.01 -0.07 -0.04 3.93 3.12 2ri1A1 TYR 93 H -0.05 0.76 0.26 -0.55 8.29 8.71 2ri1A1 TYR 93 HA 0.05 0.11 0.86 -0.75 4.56 4.82 2ri1A1 TYR 93 HB2 -0.09 0.07 0.20 -0.04 3.06 3.21 2ri1A1 TYR 93 HB3 0.08 -0.04 -0.06 -0.04 2.98 2.91 2ri1A1 TYR 93 HD2 -0.04 0.06 -0.04 -0.04 7.15 7.09 2ri1A1 TYR 93 HE2 -0.28 0.02 -0.07 -0.04 6.85 6.48 2ri1A1 LEU 94 H 0.26 0.26 0.17 -0.55 8.37 8.52 2ri1A1 LEU 94 HA 0.26 0.15 0.42 -0.75 4.35 4.42 2ri1A1 LEU 94 HB2 0.15 -0.04 0.01 -0.04 1.64 1.71 2ri1A1 LEU 94 HB3 0.11 0.04 0.06 -0.04 1.64 1.81 2ri1A1 LEU 94 HG 0.18 0.15 -0.15 -0.04 1.64 1.77 2ri1A1 LEU 94 HD13 0.21 -0.01 -0.22 -0.04 0.93 0.88 2ri1A1 LEU 94 HD23 0.16 -0.02 -0.15 -0.04 0.89 0.83 2ri1A1 PRO 95 HA -0.10 0.05 0.50 -0.51 4.44 4.38 2ri1A1 PRO 95 HB2 -0.12 -0.07 -0.07 -0.04 2.28 1.98 2ri1A1 PRO 95 HB3 -0.23 0.00 -0.05 -0.04 2.02 1.70 2ri1A1 PRO 95 HG2 -0.35 0.18 -0.10 -0.04 2.03 1.72 2ri1A1 PRO 95 HG3 -1.26 0.06 -0.13 -0.04 2.03 0.65 2ri1A1 PRO 95 HD2 -0.11 0.09 -0.30 -0.04 3.68 3.31 2ri1A1 PRO 95 HD3 -0.30 0.30 -0.14 -0.04 3.65 3.47 2ri1A1 ASN 96 H 0.04 0.14 0.11 -0.55 8.53 8.27 2ri1A1 ASN 96 HA 0.04 0.12 0.77 -0.75 4.76 4.93 2ri1A1 ASN 96 HB2 -0.01 0.13 0.11 -0.04 2.88 3.08 2ri1A1 ASN 96 HB3 -0.02 -0.03 0.19 -0.04 2.79 2.89 2ri1A1 ASN 96 HD21 -0.02 0.07 -0.21 -0.04 7.03 6.83 2ri1A1 ASN 96 HD22 -0.06 0.03 -0.03 -0.04 7.74 7.64 2ri1A1 GLY 97 H 0.05 0.30 0.11 -0.55 8.43 8.34 2ri1A1 GLY 97 HA2 0.02 0.03 0.29 -0.51 4.01 3.84 2ri1A1 GLY 97 HA3 0.05 0.34 0.34 -0.51 4.01 4.24 2ri1A1 LEU 98 H 0.03 0.01 -0.31 -0.55 8.37 7.55 2ri1A1 LEU 98 HA 0.02 0.19 0.59 -0.75 4.35 4.39 2ri1A1 LEU 98 HB2 0.02 -0.05 -0.03 -0.04 1.64 1.53 2ri1A1 LEU 98 HB3 0.01 0.05 0.06 -0.04 1.64 1.71 2ri1A1 LEU 98 HG 0.03 -0.02 -0.32 -0.04 1.64 1.29 2ri1A1 LEU 98 HD13 0.02 -0.00 -0.03 -0.04 0.93 0.87 2ri1A1 LEU 98 HD23 0.02 0.01 -0.37 -0.04 0.89 0.51 2ri1A1 ALA 99 H 0.00 0.34 -0.54 -0.55 8.40 7.65 2ri1A1 ALA 99 HA -0.01 -0.03 0.24 -0.75 4.34 3.79 2ri1A1 ALA 99 HB3 -0.00 0.00 -0.04 -0.04 1.41 1.32 2ri1A1 ALA 100 H -0.01 0.10 0.15 -0.55 8.40 8.10 2ri1A1 ALA 100 HA 0.00 0.18 0.60 -0.75 4.34 4.37 2ri1A1 ALA 100 HB3 0.00 0.01 0.10 -0.04 1.41 1.48 2ri1A1 ASP 101 H 0.00 0.11 -0.16 -0.55 8.40 7.81 2ri1A1 ASP 101 HA 0.01 0.20 0.80 -0.75 4.63 4.89 2ri1A1 ASP 101 HB2 0.01 0.12 -0.06 -0.04 2.71 2.74 2ri1A1 ASP 101 HB3 0.01 -0.03 0.15 -0.04 2.70 2.79 2ri1A1 LEU 102 H 0.01 0.34 0.02 -0.55 8.37 8.19 2ri1A1 LEU 102 HA 0.02 0.08 0.37 -0.75 4.35 4.06 2ri1A1 LEU 102 HB2 0.01 0.02 0.08 -0.04 1.64 1.71 2ri1A1 LEU 102 HB3 0.01 -0.01 0.01 -0.04 1.64 1.62 2ri1A1 LEU 102 HG 0.01 0.07 -0.03 -0.04 1.64 1.64 2ri1A1 LEU 102 HD13 -0.00 0.02 -0.01 -0.04 0.93 0.89 2ri1A1 LEU 102 HD23 0.00 -0.00 -0.05 -0.04 0.89 0.80 2ri1A1 ALA 103 H 0.02 0.15 -0.16 -0.55 8.40 7.87 2ri1A1 ALA 103 HA 0.04 0.11 0.47 -0.75 4.34 4.21 2ri1A1 ALA 103 HB3 0.03 0.04 0.05 -0.04 1.41 1.49 2ri1A1 LYS 104 H 0.03 0.15 -0.33 -0.55 8.42 7.72 2ri1A1 LYS 104 HA 0.06 0.11 0.55 -0.75 4.32 4.29 2ri1A1 LYS 104 HB2 0.03 0.09 0.13 -0.04 1.87 2.07 2ri1A1 LYS 104 HB3 0.04 0.02 -0.02 -0.04 1.79 1.79 2ri1A1 LYS 104 HG2 0.04 0.04 0.03 -0.04 1.46 1.53 2ri1A1 LYS 104 HG3 0.03 -0.04 0.02 -0.04 1.46 1.43 2ri1A1 LYS 104 HD2 0.02 -0.04 0.02 -0.04 1.69 1.65 2ri1A1 LYS 104 HD3 0.03 0.04 0.01 -0.04 1.68 1.72 2ri1A1 LYS 104 HE2 0.02 -0.03 0.00 -0.04 2.99 2.94 2ri1A1 LYS 104 HE3 0.02 0.04 -0.00 -0.04 2.99 3.00 2ri1A1 GLU 105 H 0.05 0.36 -0.21 -0.55 8.60 8.25 2ri1A1 GLU 105 HA 0.12 0.09 0.51 -0.75 4.29 4.26 2ri1A1 GLU 105 HB2 0.02 -0.01 0.08 -0.04 2.09 2.14 2ri1A1 GLU 105 HB3 0.04 0.13 0.13 -0.04 1.99 2.24 2ri1A1 GLU 105 HG2 0.01 0.17 0.03 -0.04 2.34 2.51 2ri1A1 GLU 105 HG3 0.05 -0.00 -0.15 -0.04 2.34 2.20 2ri1A1 THR 106 H 0.08 0.40 -0.15 -0.55 8.28 8.06 2ri1A1 THR 106 HA 0.11 0.01 0.38 -0.75 4.39 4.14 2ri1A1 THR 106 HB 0.06 0.26 0.20 -0.04 4.32 4.80 2ri1A1 THR 106 HG23 0.07 0.09 0.03 -0.04 1.22 1.38 2ri1A1 GLU 107 H 0.10 0.33 -0.27 -0.55 8.60 8.21 2ri1A1 GLU 107 HA 0.06 0.00 0.43 -0.75 4.29 4.03 2ri1A1 GLU 107 HB2 0.06 0.00 0.11 -0.04 2.09 2.22 2ri1A1 GLU 107 HB3 0.08 0.04 0.21 -0.04 1.99 2.28 2ri1A1 GLU 107 HG2 0.08 0.03 -0.18 -0.04 2.34 2.23 2ri1A1 GLU 107 HG3 0.04 -0.02 -0.02 -0.04 2.34 2.30 2ri1A1 TYR 108 H 0.22 0.45 -0.25 -0.55 8.29 8.16 2ri1A1 TYR 108 HA 0.03 0.05 0.41 -0.75 4.56 4.30 2ri1A1 TYR 108 HB2 0.05 0.03 0.12 -0.04 3.06 3.22 2ri1A1 TYR 108 HB3 0.08 0.00 0.23 -0.04 2.98 3.25 2ri1A1 TYR 108 HD2 0.13 0.03 -0.06 -0.04 7.15 7.21 2ri1A1 TYR 108 HE2 0.16 0.03 -0.06 -0.04 6.85 6.93 2ri1A1 TYR 109 H 0.31 0.50 -0.21 -0.55 8.29 8.33 2ri1A1 TYR 109 HA -0.19 0.06 0.41 -0.75 4.56 4.08 2ri1A1 TYR 109 HB2 0.13 0.15 0.12 -0.04 3.06 3.42 2ri1A1 TYR 109 HB3 0.03 -0.00 0.04 -0.04 2.98 3.01 2ri1A1 TYR 109 HD2 0.13 -0.04 -0.12 -0.04 7.15 7.09 2ri1A1 TYR 109 HE2 0.10 0.06 -0.30 -0.04 6.85 6.67 2ri1A1 ASP 110 H 0.08 0.40 -0.14 -0.55 8.40 8.19 2ri1A1 ASP 110 HA -0.02 0.04 0.48 -0.75 4.63 4.38 2ri1A1 ASP 110 HB2 0.02 0.16 0.18 -0.04 2.71 3.03 2ri1A1 ASP 110 HB3 -0.01 0.03 -0.02 -0.04 2.70 2.66 2ri1A1 GLN 111 H -0.11 0.41 -0.23 -0.55 8.47 7.99 2ri1A1 GLN 111 HA -0.12 0.00 0.53 -0.75 4.36 4.02 2ri1A1 GLN 111 HB2 -0.14 0.00 0.19 -0.04 2.15 2.16 2ri1A1 GLN 111 HB3 -0.15 0.00 0.01 -0.04 2.02 1.84 2ri1A1 GLN 111 HG2 -0.02 -0.06 -0.02 -0.04 2.40 2.26 2ri1A1 GLN 111 HG3 -0.05 0.00 0.02 -0.04 2.39 2.32 2ri1A1 GLN 111 HE21 0.00 -0.04 -0.01 -0.04 6.97 6.88 2ri1A1 GLN 111 HE22 0.01 -0.05 -0.04 -0.04 7.69 7.57 2ri1A1 ILE 112 H -0.44 0.41 -0.15 -0.55 8.25 7.52 2ri1A1 ILE 112 HA -0.35 0.07 0.48 -0.75 4.18 3.63 2ri1A1 ILE 112 HB -0.75 0.06 0.12 -0.04 1.89 1.28 2ri1A1 ILE 112 HG12 -1.22 0.17 0.01 -0.04 1.49 0.41 2ri1A1 ILE 112 HG13 -0.84 -0.06 -0.05 -0.04 1.21 0.22 2ri1A1 ILE 112 HG23 -0.88 0.01 -0.21 -0.04 0.93 -0.19 2ri1A1 ILE 112 HD13 -0.37 -0.00 -0.05 -0.04 0.88 0.42 2ri1A1 LEU 113 H -0.31 0.50 -0.11 -0.55 8.37 7.91 2ri1A1 LEU 113 HA -0.15 0.15 0.45 -0.75 4.35 4.05 2ri1A1 LEU 113 HB2 -0.11 0.08 0.16 -0.04 1.64 1.72 2ri1A1 LEU 113 HB3 -0.07 0.03 -0.03 -0.04 1.64 1.52 2ri1A1 LEU 113 HG -0.29 0.02 0.02 -0.04 1.64 1.34 2ri1A1 LEU 113 HD13 0.02 -0.05 -0.06 -0.04 0.93 0.80 2ri1A1 LEU 113 HD23 -0.07 0.03 -0.03 -0.04 0.89 0.77 2ri1A1 ALA 114 H -0.15 0.20 -0.43 -0.55 8.40 7.48 2ri1A1 ALA 114 HA -0.08 0.07 0.37 -0.75 4.34 3.94 2ri1A1 ALA 114 HB3 -0.09 0.00 0.07 -0.04 1.41 1.36 2ri1A1 GLN 115 H -0.20 0.18 -0.37 -0.55 8.47 7.53 2ri1A1 GLN 115 HA -0.26 0.05 0.48 -0.75 4.36 3.87 2ri1A1 GLN 115 HB2 -0.24 -0.02 0.09 -0.04 2.15 1.94 2ri1A1 GLN 115 HB3 -0.35 0.05 0.14 -0.04 2.02 1.82 2ri1A1 GLN 115 HG2 -1.02 0.03 -0.08 -0.04 2.40 1.29 2ri1A1 GLN 115 HG3 -0.34 -0.04 0.05 -0.04 2.39 2.02 2ri1A1 GLN 115 HE21 0.03 -0.06 -0.03 -0.04 6.97 6.87 2ri1A1 GLN 115 HE22 -0.17 0.02 -0.02 -0.04 7.69 7.48 2ri1A1 TYR 116 H -0.11 0.40 -0.30 -0.55 8.29 7.73 2ri1A1 TYR 116 HA -0.05 0.17 0.78 -0.75 4.56 4.71 2ri1A1 TYR 116 HB2 -0.16 -0.00 0.08 -0.04 3.06 2.93 2ri1A1 TYR 116 HB3 -0.04 -0.06 0.01 -0.04 2.98 2.86 2ri1A1 TYR 116 HD2 -0.15 0.03 -0.03 -0.04 7.15 6.96 2ri1A1 TYR 116 HE2 0.03 -0.04 -0.05 -0.04 6.85 6.74 2ri1A1 PRO 117 HA -0.01 0.09 0.50 -0.51 4.44 4.52 2ri1A1 PRO 117 HB2 0.00 -0.03 -0.06 -0.04 2.28 2.15 2ri1A1 PRO 117 HB3 -0.01 0.04 0.05 -0.04 2.02 2.06 2ri1A1 PRO 117 HG2 -0.03 -0.03 0.01 -0.04 2.03 1.94 2ri1A1 PRO 117 HG3 -0.05 0.12 -0.00 -0.04 2.03 2.06 2ri1A1 PRO 117 HD2 -0.02 0.01 0.03 -0.04 3.68 3.66 2ri1A1 PRO 117 HD3 -0.09 0.20 -0.54 -0.04 3.65 3.18 2ri1A1 ILE 118 H 0.01 0.13 0.08 -0.55 8.25 7.91 2ri1A1 ILE 118 HA 0.02 0.04 0.28 -0.75 4.18 3.77 2ri1A1 ILE 118 HB 0.01 0.03 0.05 -0.04 1.89 1.93 2ri1A1 ILE 118 HG12 -0.01 -0.01 -0.31 -0.04 1.49 1.12 2ri1A1 ILE 118 HG13 -0.01 0.12 -0.06 -0.04 1.21 1.22 2ri1A1 ILE 118 HG23 0.00 -0.03 -0.30 -0.04 0.93 0.57 2ri1A1 ILE 118 HD13 -0.01 -0.03 -0.05 -0.04 0.88 0.75 2ri1A1 ASP 119 H 0.03 0.51 0.39 -0.55 8.40 8.79 2ri1A1 ASP 119 HA 0.04 0.11 0.79 -0.75 4.63 4.81 2ri1A1 ASP 119 HB2 0.05 0.08 0.32 -0.04 2.71 3.12 2ri1A1 ASP 119 HB3 0.05 0.01 0.08 -0.04 2.70 2.80 2ri1A1 LEU 120 H 0.03 0.36 0.28 -0.55 8.37 8.49 2ri1A1 LEU 120 HA 0.01 0.40 0.92 -0.75 4.35 4.93 2ri1A1 LEU 120 HB2 0.03 0.05 -0.12 -0.04 1.64 1.56 2ri1A1 LEU 120 HB3 0.04 -0.07 0.08 -0.04 1.64 1.66 2ri1A1 LEU 120 HG 0.02 -0.05 -0.32 -0.04 1.64 1.25 2ri1A1 LEU 120 HD13 0.00 0.05 -0.17 -0.04 0.93 0.77 2ri1A1 LEU 120 HD23 0.04 -0.02 -0.09 -0.04 0.89 0.77 2ri1A1 GLN 121 H -0.02 0.78 0.34 -0.55 8.47 9.02 2ri1A1 GLN 121 HA -0.00 0.11 1.08 -0.75 4.36 4.80 2ri1A1 GLN 121 HB2 -0.02 -0.01 0.05 -0.04 2.15 2.13 2ri1A1 GLN 121 HB3 -0.06 0.04 0.14 -0.04 2.02 2.10 2ri1A1 GLN 121 HG2 -0.04 -0.01 -0.15 -0.04 2.40 2.16 2ri1A1 GLN 121 HG3 -0.04 0.02 -0.58 -0.04 2.39 1.75 2ri1A1 GLN 121 HE21 -0.01 -0.05 -0.18 -0.04 6.97 6.69 2ri1A1 GLN 121 HE22 -0.02 0.55 -0.23 -0.04 7.69 7.95 2ri1A1 ILE 122 H 0.01 0.64 0.25 -0.55 8.25 8.61 2ri1A1 ILE 122 HA -0.01 0.25 0.88 -0.75 4.18 4.55 2ri1A1 ILE 122 HB 0.06 -0.11 0.21 -0.04 1.89 2.01 2ri1A1 ILE 122 HG12 0.07 0.14 0.06 -0.04 1.49 1.71 2ri1A1 ILE 122 HG13 0.12 -0.05 0.01 -0.04 1.21 1.25 2ri1A1 ILE 122 HG23 0.00 -0.02 -0.07 -0.04 0.93 0.80 2ri1A1 ILE 122 HD13 0.04 0.00 -0.12 -0.04 0.88 0.77 2ri1A1 LEU 123 H -0.04 0.68 0.39 -0.55 8.37 8.86 2ri1A1 LEU 123 HA -0.06 0.05 0.85 -0.75 4.35 4.44 2ri1A1 LEU 123 HB2 -0.07 0.07 -0.03 -0.04 1.64 1.57 2ri1A1 LEU 123 HB3 -0.07 0.09 -0.09 -0.04 1.64 1.53 2ri1A1 LEU 123 HG -0.06 -0.04 -0.02 -0.04 1.64 1.49 2ri1A1 LEU 123 HD13 -0.05 -0.02 -0.17 -0.04 0.93 0.65 2ri1A1 LEU 123 HD23 -0.07 0.01 -0.17 -0.04 0.89 0.62 2ri1A1 GLY 124 H -0.08 0.05 0.17 -0.55 8.43 8.03 2ri1A1 GLY 124 HA2 -0.12 0.38 0.87 -0.51 4.01 4.63 2ri1A1 GLY 124 HA3 -0.09 -0.06 0.44 -0.51 4.01 3.79 2ri1A1 ILE 125 H -0.13 0.19 0.23 -0.55 8.25 7.99 2ri1A1 ILE 125 HA -0.14 0.25 0.80 -0.75 4.18 4.34 2ri1A1 ILE 125 HB -0.11 0.05 -0.14 -0.04 1.89 1.65 2ri1A1 ILE 125 HG12 -0.12 0.10 -0.02 -0.04 1.49 1.40 2ri1A1 ILE 125 HG13 -0.10 0.08 -0.01 -0.04 1.21 1.14 2ri1A1 ILE 125 HG23 -0.12 -0.01 -0.02 -0.04 0.93 0.74 2ri1A1 ILE 125 HD13 -0.06 -0.00 -0.21 -0.04 0.88 0.57 2ri1A1 GLY 126 H -0.42 0.80 0.13 -0.55 8.43 8.40 2ri1A1 GLY 126 HA2 -0.40 0.09 0.70 -0.51 4.01 3.89 2ri1A1 GLY 126 HA3 -1.53 -0.04 0.33 -0.51 4.01 2.26 2ri1A1 ARG 127 H -0.01 0.13 0.17 -0.55 8.46 8.20 2ri1A1 ARG 127 HA -0.03 0.19 0.55 -0.75 4.34 4.30 2ri1A1 ARG 127 HB2 0.07 -0.06 0.11 -0.04 1.90 1.98 2ri1A1 ARG 127 HB3 0.03 0.10 0.11 -0.04 1.80 1.99 2ri1A1 ARG 127 HG2 0.01 0.04 0.01 -0.04 1.67 1.69 2ri1A1 ARG 127 HG3 0.05 -0.06 0.12 -0.04 1.67 1.74 2ri1A1 ARG 127 HD2 0.03 0.06 0.08 -0.04 3.22 3.35 2ri1A1 ARG 127 HD3 0.03 -0.06 0.04 -0.04 3.22 3.19 2ri1A1 ASN 128 H 0.11 0.02 -0.05 -0.55 8.53 8.06 2ri1A1 ASN 128 HA 0.04 0.26 0.80 -0.75 4.76 5.11 2ri1A1 ASN 128 HB2 0.07 0.12 0.21 -0.04 2.88 3.24 2ri1A1 ASN 128 HB3 0.09 -0.01 0.11 -0.04 2.79 2.93 2ri1A1 ASN 128 HD21 0.11 -0.01 0.05 -0.04 7.03 7.14 2ri1A1 ASN 128 HD22 0.08 0.06 0.08 -0.04 7.74 7.92 2ri1A1 ALA 129 H -0.05 0.37 -0.65 -0.55 8.40 7.52 2ri1A1 ALA 129 HA -0.06 0.11 0.23 -0.75 4.34 3.87 2ri1A1 ALA 129 HB3 0.01 0.05 0.08 -0.04 1.41 1.51 2ri1A1 HIS 130 H 0.02 -0.15 -0.46 -0.55 8.41 7.28 2ri1A1 HIS 130 HA 0.05 0.26 0.51 -0.75 4.63 4.70 2ri1A1 HIS 130 HB2 0.08 0.19 -0.25 -0.04 3.26 3.24 2ri1A1 HIS 130 HB3 0.06 -0.03 -0.01 -0.04 3.20 3.17 2ri1A1 HIS 130 HD2 0.04 0.37 -0.35 -0.04 6.97 6.98 2ri1A1 HIS 130 HE1 0.06 -0.06 0.06 -0.04 7.75 7.77 2ri1A1 ILE 131 H 0.16 0.52 0.10 -0.55 8.25 8.49 2ri1A1 ILE 131 HA -0.01 0.16 0.82 -0.75 4.18 4.39 2ri1A1 ILE 131 HB 0.06 -0.01 0.03 -0.04 1.89 1.93 2ri1A1 ILE 131 HG12 0.02 0.02 -0.39 -0.04 1.49 1.10 2ri1A1 ILE 131 HG13 0.02 0.06 -0.23 -0.04 1.21 1.02 2ri1A1 ILE 131 HG23 -0.00 0.01 -0.15 -0.04 0.93 0.75 2ri1A1 ILE 131 HD13 -0.05 0.02 0.00 -0.04 0.88 0.81 2ri1A1 GLY 132 H -0.02 0.17 0.06 -0.55 8.43 8.09 2ri1A1 GLY 132 HA2 -0.17 -0.00 0.26 -0.51 4.01 3.59 2ri1A1 GLY 132 HA3 -0.06 0.11 0.55 -0.51 4.01 4.10 2ri1A1 PHE 133 H 0.03 0.18 0.08 -0.55 8.34 8.08 2ri1A1 PHE 133 HA -0.03 0.16 0.67 -0.75 4.62 4.67 2ri1A1 PHE 133 HB2 -0.06 0.02 0.01 -0.04 3.15 3.07 2ri1A1 PHE 133 HB3 -0.05 0.01 0.09 -0.04 3.06 3.07 2ri1A1 PHE 133 HD2 -0.08 0.03 -0.08 -0.04 7.28 7.12 2ri1A1 PHE 133 HE2 -0.13 -0.03 -0.12 -0.04 7.38 7.06 2ri1A1 PHE 133 HZ 0.16 0.03 -0.10 -0.04 7.32 7.37 2ri1A1 ASN 134 H 0.16 0.55 -0.29 -0.55 8.53 8.40 2ri1A1 ASN 134 HA 0.17 0.09 0.50 -0.75 4.76 4.76 2ri1A1 ASN 134 HB2 0.14 0.05 0.20 -0.04 2.88 3.22 2ri1A1 ASN 134 HB3 0.15 0.02 -0.02 -0.04 2.79 2.89 2ri1A1 ASN 134 HD21 0.11 0.34 -0.02 -0.04 7.03 7.42 2ri1A1 ASN 134 HD22 0.10 0.30 0.04 -0.04 7.74 8.14 2ri1A1 GLU 135 H 0.10 0.14 0.17 -0.55 8.60 8.47 2ri1A1 GLU 135 HA 0.12 0.03 0.31 -0.75 4.29 3.99 2ri1A1 GLU 135 HB2 0.04 0.01 0.08 -0.04 2.09 2.18 2ri1A1 GLU 135 HB3 0.03 0.12 0.06 -0.04 1.99 2.16 2ri1A1 GLU 135 HG2 -0.00 -0.00 -0.19 -0.04 2.34 2.10 2ri1A1 GLU 135 HG3 -0.02 -0.00 0.00 -0.04 2.34 2.28 2ri1A1 PRO 136 HA 0.04 0.19 0.50 -0.51 4.44 4.66 2ri1A1 PRO 136 HB2 0.02 -0.08 0.03 -0.04 2.28 2.22 2ri1A1 PRO 136 HB3 0.03 0.21 0.22 -0.04 2.02 2.44 2ri1A1 PRO 136 HG2 0.05 -0.07 0.14 -0.04 2.03 2.12 2ri1A1 PRO 136 HG3 0.06 0.31 0.20 -0.04 2.03 2.56 2ri1A1 PRO 136 HD2 0.07 -0.02 0.21 -0.04 3.68 3.90 2ri1A1 PRO 136 HD3 0.13 0.06 0.12 -0.04 3.65 3.91 2ri1A1 GLY 137 H -0.03 0.78 0.11 -0.55 8.43 8.75 2ri1A1 GLY 137 HA2 -0.07 -0.10 0.19 -0.51 4.01 3.52 2ri1A1 GLY 137 HA3 -0.03 0.10 0.66 -0.51 4.01 4.23 2ri1A1 THR 138 H -0.01 0.43 -0.14 -0.55 8.28 8.01 2ri1A1 THR 138 HA -0.04 0.00 0.51 -0.75 4.39 4.11 2ri1A1 THR 138 HB 0.06 0.03 0.00 -0.04 4.32 4.37 2ri1A1 THR 138 HG23 0.03 0.03 -0.05 -0.04 1.22 1.18 2ri1A1 ALA 139 H -0.10 0.10 0.19 -0.55 8.40 8.05 2ri1A1 ALA 139 HA -0.20 0.08 0.44 -0.75 4.34 3.91 2ri1A1 ALA 139 HB3 -0.07 -0.00 0.12 -0.04 1.41 1.41 2ri1A1 PHE 140 H -0.24 0.18 0.17 -0.55 8.34 7.90 2ri1A1 PHE 140 HA 0.01 0.11 0.57 -0.75 4.62 4.56 2ri1A1 PHE 140 HB2 0.00 -0.02 0.04 -0.04 3.15 3.13 2ri1A1 PHE 140 HB3 0.01 0.10 0.04 -0.04 3.06 3.17 2ri1A1 PHE 140 HD2 0.01 -0.00 -0.05 -0.04 7.28 7.19 2ri1A1 PHE 140 HE2 0.01 0.06 -0.19 -0.04 7.38 7.21 2ri1A1 PHE 140 HZ 0.01 0.14 -0.37 -0.04 7.32 7.05 2ri1A1 SER 141 H 0.06 -0.01 -0.33 -0.55 8.46 7.64 2ri1A1 SER 141 HA 0.06 0.24 0.60 -0.75 4.49 4.64 2ri1A1 SER 141 HB2 0.02 0.05 0.07 -0.04 3.95 4.05 2ri1A1 SER 141 HB3 0.04 0.03 0.02 -0.04 3.93 3.97 2ri1A1 SER 142 H 0.04 0.32 -0.39 -0.55 8.46 7.89 2ri1A1 SER 142 HA -0.04 0.04 0.16 -0.75 4.49 3.89 2ri1A1 SER 142 HB2 -0.30 0.15 0.07 -0.04 3.95 3.82 2ri1A1 SER 142 HB3 -0.19 -0.05 0.10 -0.04 3.93 3.75 2ri1A1 GLN 143 H 0.03 0.13 0.11 -0.55 8.47 8.20 2ri1A1 GLN 143 HA 0.09 0.04 0.77 -0.75 4.36 4.50 2ri1A1 GLN 143 HB2 0.06 0.06 0.16 -0.04 2.15 2.38 2ri1A1 GLN 143 HB3 0.06 -0.07 0.22 -0.04 2.02 2.19 2ri1A1 GLN 143 HG2 0.04 0.03 -0.12 -0.04 2.40 2.30 2ri1A1 GLN 143 HG3 0.03 0.12 -0.20 -0.04 2.39 2.30 2ri1A1 GLN 143 HE21 0.01 0.02 -0.02 -0.04 6.97 6.93 2ri1A1 GLN 143 HE22 0.02 0.00 -0.02 -0.04 7.69 7.66 2ri1A1 THR 144 H 0.12 0.13 0.16 -0.55 8.28 8.14 2ri1A1 THR 144 HA 0.13 0.29 0.64 -0.75 4.39 4.69 2ri1A1 THR 144 HB 0.14 0.09 0.16 -0.04 4.32 4.66 2ri1A1 THR 144 HG23 0.04 -0.02 -0.22 -0.04 1.22 0.98 2ri1A1 HIS 145 H -0.08 0.61 0.38 -0.55 8.41 8.78 2ri1A1 HIS 145 HA 0.03 0.03 0.66 -0.75 4.63 4.60 2ri1A1 HIS 145 HB2 0.02 -0.03 0.09 -0.04 3.26 3.30 2ri1A1 HIS 145 HB3 0.03 0.07 -0.26 -0.04 3.20 2.99 2ri1A1 HIS 145 HD2 0.01 0.14 -0.21 -0.04 6.97 6.87 2ri1A1 HIS 145 HE1 0.05 -0.05 -0.11 -0.04 7.75 7.60 2ri1A1 LEU 146 H 0.09 0.12 0.16 -0.55 8.37 8.19 2ri1A1 LEU 146 HA -0.05 0.23 0.88 -0.75 4.35 4.66 2ri1A1 LEU 146 HB2 0.02 -0.08 0.11 -0.04 1.64 1.65 2ri1A1 LEU 146 HB3 0.04 0.00 0.13 -0.04 1.64 1.76 2ri1A1 LEU 146 HG -0.01 0.05 -0.20 -0.04 1.64 1.44 2ri1A1 LEU 146 HD13 -0.02 0.04 -0.02 -0.04 0.93 0.90 2ri1A1 LEU 146 HD23 0.01 -0.02 -0.03 -0.04 0.89 0.81 2ri1A1 VAL 147 H -0.08 0.63 0.42 -0.55 8.24 8.66 2ri1A1 VAL 147 HA 0.00 0.15 0.70 -0.75 4.13 4.23 2ri1A1 VAL 147 HB -0.13 -0.10 0.07 -0.04 2.12 1.93 2ri1A1 VAL 147 HG13 -0.12 -0.00 -0.22 -0.04 0.97 0.59 2ri1A1 VAL 147 HG23 -0.15 0.02 -0.18 -0.04 0.95 0.59 2ri1A1 ASP 148 H -0.02 0.18 0.18 -0.55 8.40 8.19 2ri1A1 ASP 148 HA -0.07 0.17 0.99 -0.75 4.63 4.96 2ri1A1 ASP 148 HB2 -0.03 -0.04 0.19 -0.04 2.71 2.78 2ri1A1 ASP 148 HB3 -0.05 0.11 0.06 -0.04 2.70 2.79 2ri1A1 LEU 149 H -0.12 0.62 0.16 -0.55 8.37 8.48 2ri1A1 LEU 149 HA -0.30 -0.04 0.18 -0.75 4.35 3.45 2ri1A1 LEU 149 HB2 -0.11 0.08 -0.10 -0.04 1.64 1.46 2ri1A1 LEU 149 HB3 -0.17 -0.08 -0.06 -0.04 1.64 1.29 2ri1A1 LEU 149 HG -0.16 -0.00 -0.59 -0.04 1.64 0.84 2ri1A1 LEU 149 HD13 0.06 0.05 -0.31 -0.04 0.93 0.68 2ri1A1 LEU 149 HD23 -0.84 -0.02 -0.24 -0.04 0.89 -0.25 2ri1A1 THR 150 H -0.12 0.04 0.15 -0.55 8.28 7.80 2ri1A1 THR 150 HA -0.04 0.24 0.62 -0.75 4.39 4.45 2ri1A1 THR 150 HB -0.02 -0.01 0.15 -0.04 4.32 4.39 2ri1A1 THR 150 HG23 -0.05 0.04 0.08 -0.04 1.22 1.25 2ri1A1 PRO 151 HA -0.03 0.12 0.57 -0.51 4.44 4.59 2ri1A1 PRO 151 HB2 -0.01 0.03 -0.02 -0.04 2.28 2.24 2ri1A1 PRO 151 HB3 -0.02 0.09 0.12 -0.04 2.02 2.17 2ri1A1 PRO 151 HG2 -0.01 0.03 0.11 -0.04 2.03 2.12 2ri1A1 PRO 151 HG3 -0.02 0.11 0.11 -0.04 2.03 2.19 2ri1A1 PRO 151 HD2 -0.02 0.06 0.27 -0.04 3.68 3.95 2ri1A1 PRO 151 HD3 -0.03 0.27 0.21 -0.04 3.65 4.07 2ri1A1 SER 152 H -0.00 0.13 -0.15 -0.55 8.46 7.90 2ri1A1 SER 152 HA 0.01 0.12 0.55 -0.75 4.49 4.42 2ri1A1 SER 152 HB2 0.02 -0.05 0.03 -0.04 3.95 3.91 2ri1A1 SER 152 HB3 0.03 0.05 0.02 -0.04 3.93 3.99 2ri1A1 THR 153 H 0.01 0.09 -0.24 -0.55 8.28 7.59 2ri1A1 THR 153 HA 0.08 0.06 0.54 -0.75 4.39 4.32 2ri1A1 THR 153 HB -0.02 0.11 0.08 -0.04 4.32 4.45 2ri1A1 THR 153 HG23 0.13 0.02 -0.13 -0.04 1.22 1.20 2ri1A1 ILE 154 H -0.02 0.47 -0.14 -0.55 8.25 8.01 2ri1A1 ILE 154 HA -0.04 0.11 0.40 -0.75 4.18 3.90 2ri1A1 ILE 154 HB -0.04 0.01 0.14 -0.04 1.89 1.97 2ri1A1 ILE 154 HG12 -0.07 0.15 0.03 -0.04 1.49 1.56 2ri1A1 ILE 154 HG13 -0.06 -0.00 -0.09 -0.04 1.21 1.02 2ri1A1 ILE 154 HG23 -0.06 0.01 -0.08 -0.04 0.93 0.76 2ri1A1 ILE 154 HD13 -0.06 0.00 -0.03 -0.04 0.88 0.75 2ri1A1 ALA 155 H -0.01 0.51 -0.15 -0.55 8.40 8.21 2ri1A1 ALA 155 HA -0.02 0.04 0.32 -0.75 4.34 3.92 2ri1A1 ALA 155 HB3 -0.01 0.01 0.10 -0.04 1.41 1.47 2ri1A1 ALA 156 H 0.02 0.55 -0.15 -0.55 8.40 8.28 2ri1A1 ALA 156 HA -0.01 0.02 0.53 -0.75 4.34 4.13 2ri1A1 ALA 156 HB3 0.08 -0.02 0.12 -0.04 1.41 1.55 2ri1A1 ASN 157 H 0.06 0.59 -0.14 -0.55 8.53 8.50 2ri1A1 ASN 157 HA 0.34 0.02 0.35 -0.75 4.76 4.72 2ri1A1 ASN 157 HB2 0.04 0.12 0.09 -0.04 2.88 3.09 2ri1A1 ASN 157 HB3 0.17 -0.05 0.04 -0.04 2.79 2.91 2ri1A1 ASN 157 HD21 0.18 -0.13 -0.06 -0.04 7.03 6.98 2ri1A1 ASN 157 HD22 -0.12 0.04 -0.08 -0.04 7.74 7.54 2ri1A1 SER 158 H 0.02 0.47 -0.28 -0.55 8.46 8.12 2ri1A1 SER 158 HA 0.12 0.00 0.42 -0.75 4.49 4.27 2ri1A1 SER 158 HB2 -0.02 0.18 0.14 -0.04 3.95 4.21 2ri1A1 SER 158 HB3 -0.01 -0.06 -0.03 -0.04 3.93 3.79 2ri1A1 ARG 159 H -0.17 0.34 -0.33 -0.55 8.46 7.75 2ri1A1 ARG 159 HA -0.15 0.04 0.36 -0.75 4.34 3.84 2ri1A1 ARG 159 HB2 -0.86 0.05 0.02 -0.04 1.90 1.07 2ri1A1 ARG 159 HB3 -0.33 -0.06 0.10 -0.04 1.80 1.46 2ri1A1 ARG 159 HG2 -0.18 0.20 0.13 -0.04 1.67 1.77 2ri1A1 ARG 159 HG3 -0.22 -0.07 0.09 -0.04 1.67 1.43 2ri1A1 ARG 159 HD2 -0.08 0.01 0.02 -0.04 3.22 3.13 2ri1A1 ARG 159 HD3 -0.11 -0.06 0.03 -0.04 3.22 3.04 2ri1A1 PHE 160 H -0.02 0.39 -0.64 -0.55 8.34 7.51 2ri1A1 PHE 160 HA -0.11 0.12 0.58 -0.75 4.62 4.46 2ri1A1 PHE 160 HB2 -0.24 0.17 0.07 -0.04 3.15 3.11 2ri1A1 PHE 160 HB3 -0.31 -0.09 0.13 -0.04 3.06 2.76 2ri1A1 PHE 160 HD2 -0.05 0.03 -0.00 -0.04 7.28 7.22 2ri1A1 PHE 160 HE2 0.01 -0.04 -0.06 -0.04 7.38 7.25 2ri1A1 PHE 160 HZ 0.03 -0.06 -0.03 -0.04 7.32 7.22 2ri1A1 PHE 161 H 0.15 0.54 -0.27 -0.55 8.34 8.20 2ri1A1 PHE 161 HA 0.01 0.07 0.91 -0.75 4.62 4.86 2ri1A1 PHE 161 HB2 -0.02 0.09 -0.00 -0.04 3.15 3.18 2ri1A1 PHE 161 HB3 -0.02 -0.03 -0.15 -0.04 3.06 2.82 2ri1A1 PHE 161 HD2 -0.02 0.04 -0.08 -0.04 7.28 7.18 2ri1A1 PHE 161 HE2 -0.10 -0.06 -0.02 -0.04 7.38 7.16 2ri1A1 PHE 161 HZ -0.17 -0.10 -0.01 -0.04 7.32 7.00 2ri1A1 GLU 162 H 0.08 0.11 0.08 -0.55 8.60 8.32 2ri1A1 GLU 162 HA 0.04 0.09 0.31 -0.75 4.29 3.98 2ri1A1 GLU 162 HB2 0.04 -0.06 0.12 -0.04 2.09 2.15 2ri1A1 GLU 162 HB3 0.02 0.01 0.00 -0.04 1.99 1.98 2ri1A1 GLU 162 HG2 0.01 0.02 0.04 -0.04 2.34 2.37 2ri1A1 GLU 162 HG3 0.01 -0.01 0.04 -0.04 2.34 2.34 2ri1A1 LYS 163 H 0.09 0.06 -0.14 -0.55 8.42 7.87 2ri1A1 LYS 163 HA 0.02 0.23 0.93 -0.75 4.32 4.75 2ri1A1 LYS 163 HB2 0.02 0.05 -0.06 -0.04 1.87 1.84 2ri1A1 LYS 163 HB3 0.02 -0.01 0.01 -0.04 1.79 1.76 2ri1A1 LYS 163 HG2 -0.01 -0.27 0.01 -0.04 1.46 1.15 2ri1A1 LYS 163 HG3 -0.00 0.09 0.05 -0.04 1.46 1.56 2ri1A1 LYS 163 HD2 -0.00 0.05 -0.03 -0.04 1.69 1.68 2ri1A1 LYS 163 HD3 -0.01 -0.00 -0.08 -0.04 1.68 1.55 2ri1A1 LYS 163 HE2 -0.02 -0.08 0.01 -0.04 2.99 2.87 2ri1A1 LYS 163 HE3 -0.01 0.05 -0.01 -0.04 2.99 2.99 2ri1A1 ALA 164 H -0.01 0.18 0.15 -0.55 8.40 8.17 2ri1A1 ALA 164 HA -0.05 0.17 0.31 -0.75 4.34 4.01 2ri1A1 ALA 164 HB3 -0.03 0.02 0.09 -0.04 1.41 1.45 2ri1A1 GLU 165 H -0.04 0.04 -0.14 -0.55 8.60 7.91 2ri1A1 GLU 165 HA -0.07 0.13 0.42 -0.75 4.29 4.02 2ri1A1 GLU 165 HB2 -0.03 -0.04 0.02 -0.04 2.09 1.99 2ri1A1 GLU 165 HB3 -0.04 0.05 0.06 -0.04 1.99 2.01 2ri1A1 GLU 165 HG2 -0.03 -0.03 0.02 -0.04 2.34 2.27 2ri1A1 GLU 165 HG3 -0.03 0.02 0.02 -0.04 2.34 2.32 2ri1A1 ASP 166 H -0.11 0.32 -0.68 -0.55 8.40 7.38 2ri1A1 ASP 166 HA -0.14 0.16 0.71 -0.75 4.63 4.61 2ri1A1 ASP 166 HB2 -0.01 0.15 -0.01 -0.04 2.71 2.80 2ri1A1 ASP 166 HB3 -0.01 -0.04 0.08 -0.04 2.70 2.68 2ri1A1 VAL 167 H -0.31 0.39 -0.16 -0.55 8.24 7.61 2ri1A1 VAL 167 HA -1.40 0.08 0.49 -0.75 4.13 2.54 2ri1A1 VAL 167 HB -0.23 0.01 0.10 -0.04 2.12 1.96 2ri1A1 VAL 167 HG13 -0.18 0.04 -0.12 -0.04 0.97 0.68 2ri1A1 VAL 167 HG23 -0.17 -0.01 0.04 -0.04 0.95 0.76 2ri1A1 PRO 168 HA -0.13 0.04 0.64 -0.51 4.44 4.48 2ri1A1 PRO 168 HB2 -0.18 -0.06 0.10 -0.04 2.28 2.10 2ri1A1 PRO 168 HB3 0.04 0.06 0.20 -0.04 2.02 2.28 2ri1A1 PRO 168 HG2 -0.15 -0.09 0.03 -0.04 2.03 1.77 2ri1A1 PRO 168 HG3 -0.10 0.14 0.01 -0.04 2.03 2.04 2ri1A1 PRO 168 HD2 -0.51 0.03 0.19 -0.04 3.68 3.35 2ri1A1 PRO 168 HD3 -0.81 0.41 0.27 -0.04 3.65 3.48 2ri1A1 LYS 169 H -0.08 0.15 0.22 -0.55 8.42 8.16 2ri1A1 LYS 169 HA -0.08 0.15 0.75 -0.75 4.32 4.39 2ri1A1 LYS 169 HB2 -0.06 -0.02 0.10 -0.04 1.87 1.86 2ri1A1 LYS 169 HB3 -0.06 -0.03 0.16 -0.04 1.79 1.81 2ri1A1 LYS 169 HG2 -0.10 0.22 -0.08 -0.04 1.46 1.46 2ri1A1 LYS 169 HG3 -0.06 -0.03 0.02 -0.04 1.46 1.35 2ri1A1 LYS 169 HD2 -0.07 -0.05 0.05 -0.04 1.69 1.57 2ri1A1 LYS 169 HD3 -0.09 0.08 -0.08 -0.04 1.68 1.55 2ri1A1 LYS 169 HE2 -0.05 -0.01 -0.02 -0.04 2.99 2.87 2ri1A1 LYS 169 HE3 -0.06 0.01 -0.01 -0.04 2.99 2.90 2ri1A1 GLN 170 H -0.02 0.21 0.16 -0.55 8.47 8.27 2ri1A1 GLN 170 HA -0.09 0.25 1.05 -0.75 4.36 4.81 2ri1A1 GLN 170 HB2 -0.02 -0.08 0.04 -0.04 2.15 2.05 2ri1A1 GLN 170 HB3 -0.04 0.06 0.11 -0.04 2.02 2.11 2ri1A1 GLN 170 HG2 -0.04 0.09 -0.00 -0.04 2.40 2.41 2ri1A1 GLN 170 HG3 -0.04 -0.09 -0.28 -0.04 2.39 1.95 2ri1A1 GLN 170 HE21 -0.01 -0.02 -0.06 -0.04 6.97 6.83 2ri1A1 GLN 170 HE22 -0.02 0.03 -0.09 -0.04 7.69 7.57 2ri1A1 ALA 171 H -0.10 0.62 0.43 -0.55 8.40 8.81 2ri1A1 ALA 171 HA -0.02 0.10 0.96 -0.75 4.34 4.62 2ri1A1 ALA 171 HB3 -0.09 0.00 -0.10 -0.04 1.41 1.19 2ri1A1 ILE 172 H -0.03 0.61 0.32 -0.55 8.25 8.60 2ri1A1 ILE 172 HA -0.07 0.20 0.86 -0.75 4.18 4.41 2ri1A1 ILE 172 HB -0.09 -0.06 0.11 -0.04 1.89 1.81 2ri1A1 ILE 172 HG12 -0.02 -0.00 -0.06 -0.04 1.49 1.37 2ri1A1 ILE 172 HG13 -0.03 -0.04 -0.17 -0.04 1.21 0.93 2ri1A1 ILE 172 HG23 -0.10 -0.00 -0.20 -0.04 0.93 0.59 2ri1A1 ILE 172 HD13 -0.02 -0.02 -0.16 -0.04 0.88 0.64 2ri1A1 SER 173 H -0.16 0.54 0.28 -0.55 8.46 8.56 2ri1A1 SER 173 HA -0.07 0.28 1.13 -0.75 4.49 5.07 2ri1A1 SER 173 HB2 -0.25 0.05 -0.05 -0.04 3.95 3.66 2ri1A1 SER 173 HB3 -0.02 0.06 -0.06 -0.04 3.93 3.87 2ri1A1 MET 174 H -0.01 0.84 0.35 -0.55 8.47 9.11 2ri1A1 MET 174 HA 0.12 -0.09 0.55 -0.75 4.52 4.34 2ri1A1 MET 174 HB2 0.06 -0.06 0.19 -0.04 2.15 2.30 2ri1A1 MET 174 HB3 0.09 0.07 -0.04 -0.04 2.03 2.10 2ri1A1 MET 174 HG2 0.24 -0.06 -0.00 -0.04 2.63 2.77 2ri1A1 MET 174 HG3 0.27 0.04 0.08 -0.04 2.56 2.91 2ri1A1 MET 174 HE3 0.04 0.01 -0.18 -0.04 2.10 1.93 2ri1A1 GLY 175 H 0.15 -0.07 -0.37 -0.55 8.43 7.60 2ri1A1 GLY 175 HA2 0.28 0.13 0.57 -0.51 4.01 4.47 2ri1A1 GLY 175 HA3 0.21 0.08 0.07 -0.51 4.01 3.86 2ri1A1 LEU 176 H 0.13 0.14 0.10 -0.55 8.37 8.19 2ri1A1 LEU 176 HA 0.09 0.07 0.39 -0.75 4.35 4.15 2ri1A1 LEU 176 HB2 0.21 0.03 0.15 -0.04 1.64 1.99 2ri1A1 LEU 176 HB3 0.17 0.07 0.03 -0.04 1.64 1.87 2ri1A1 LEU 176 HG 0.16 -0.12 -0.01 -0.04 1.64 1.63 2ri1A1 LEU 176 HD13 0.29 0.03 -0.17 -0.04 0.93 1.04 2ri1A1 LEU 176 HD23 0.12 0.02 -0.07 -0.04 0.89 0.91 2ri1A1 ALA 177 H 0.09 0.16 -0.11 -0.55 8.40 8.00 2ri1A1 ALA 177 HA 0.05 0.13 0.47 -0.75 4.34 4.24 2ri1A1 ALA 177 HB3 0.05 0.05 -0.15 -0.04 1.41 1.32 2ri1A1 SER 178 H 0.07 0.19 -0.20 -0.55 8.46 7.98 2ri1A1 SER 178 HA 0.04 0.05 0.38 -0.75 4.49 4.21 2ri1A1 SER 178 HB2 0.08 0.37 -0.06 -0.04 3.95 4.30 2ri1A1 SER 178 HB3 0.07 0.02 -0.15 -0.04 3.93 3.83 2ri1A1 ILE 179 H 0.05 0.42 -0.33 -0.55 8.25 7.85 2ri1A1 ILE 179 HA 0.02 -0.01 0.30 -0.75 4.18 3.74 2ri1A1 ILE 179 HB 0.04 0.09 0.06 -0.04 1.89 2.03 2ri1A1 ILE 179 HG12 0.01 -0.06 -0.08 -0.04 1.49 1.32 2ri1A1 ILE 179 HG13 0.04 -0.06 -0.15 -0.04 1.21 1.00 2ri1A1 ILE 179 HG23 -0.02 -0.01 -0.19 -0.04 0.93 0.67 2ri1A1 ILE 179 HD13 0.03 -0.03 -0.23 -0.04 0.88 0.61 2ri1A1 MET 180 H 0.04 0.50 -0.18 -0.55 8.47 8.28 2ri1A1 MET 180 HA 0.11 -0.00 0.27 -0.75 4.52 4.14 2ri1A1 MET 180 HB2 0.04 0.06 0.13 -0.04 2.15 2.33 2ri1A1 MET 180 HB3 0.07 0.00 0.00 -0.04 2.03 2.06 2ri1A1 MET 180 HG2 0.01 -0.01 0.02 -0.04 2.63 2.61 2ri1A1 MET 180 HG3 -0.03 -0.08 -0.08 -0.04 2.56 2.33 2ri1A1 MET 180 HE3 0.02 0.01 -0.12 -0.04 2.10 1.97 2ri1A1 SER 181 H 0.05 0.24 -0.74 -0.55 8.46 7.46 2ri1A1 SER 181 HA 0.04 0.04 0.32 -0.75 4.49 4.14 2ri1A1 SER 181 HB2 0.02 0.11 0.03 -0.04 3.95 4.07 2ri1A1 SER 181 HB3 0.01 -0.07 0.05 -0.04 3.93 3.87 2ri1A1 ALA 182 H 0.07 0.35 -0.33 -0.55 8.40 7.94 2ri1A1 ALA 182 HA 0.04 0.07 0.44 -0.75 4.34 4.14 2ri1A1 ALA 182 HB3 -0.00 -0.04 -0.10 -0.04 1.41 1.22 2ri1A1 LYS 183 H 0.05 0.51 0.28 -0.55 8.42 8.71 2ri1A1 LYS 183 HA 0.07 0.06 0.51 -0.75 4.32 4.20 2ri1A1 LYS 183 HB2 0.04 0.04 0.36 -0.04 1.87 2.27 2ri1A1 LYS 183 HB3 0.04 -0.05 0.09 -0.04 1.79 1.82 2ri1A1 LYS 183 HG2 0.02 -0.06 0.08 -0.04 1.46 1.45 2ri1A1 LYS 183 HG3 0.02 0.05 0.08 -0.04 1.46 1.57 2ri1A1 LYS 183 HD2 0.02 0.07 0.01 -0.04 1.69 1.75 2ri1A1 LYS 183 HD3 0.02 -0.06 0.03 -0.04 1.68 1.63 2ri1A1 LYS 183 HE2 0.01 -0.05 -0.01 -0.04 2.99 2.90 2ri1A1 LYS 183 HE3 0.00 -0.03 0.01 -0.04 2.99 2.93 2ri1A1 MET 184 H 0.05 0.17 -0.11 -0.55 8.47 8.03 2ri1A1 MET 184 HA 0.09 0.32 0.87 -0.75 4.52 5.04 2ri1A1 MET 184 HB2 0.03 0.03 -0.17 -0.04 2.15 2.00 2ri1A1 MET 184 HB3 0.02 -0.01 0.14 -0.04 2.03 2.14 2ri1A1 MET 184 HG2 -0.01 -0.09 -0.30 -0.04 2.63 2.19 2ri1A1 MET 184 HG3 0.01 0.13 0.01 -0.04 2.56 2.67 2ri1A1 MET 184 HE3 -0.00 -0.02 -0.12 -0.04 2.10 1.92 2ri1A1 ILE 185 H -0.12 0.70 0.31 -0.55 8.25 8.59 2ri1A1 ILE 185 HA -0.10 0.17 0.99 -0.75 4.18 4.48 2ri1A1 ILE 185 HB -0.37 0.04 0.06 -0.04 1.89 1.58 2ri1A1 ILE 185 HG12 -0.17 -0.05 -0.12 -0.04 1.49 1.11 2ri1A1 ILE 185 HG13 -0.40 0.03 -0.49 -0.04 1.21 0.30 2ri1A1 ILE 185 HG23 -0.13 -0.03 -0.21 -0.04 0.93 0.51 2ri1A1 ILE 185 HD13 -0.43 0.03 -0.17 -0.04 0.88 0.26 2ri1A1 LEU 186 H -0.05 0.73 0.32 -0.55 8.37 8.82 2ri1A1 LEU 186 HA -0.04 0.33 0.97 -0.75 4.35 4.87 2ri1A1 LEU 186 HB2 -0.01 0.04 0.01 -0.04 1.64 1.64 2ri1A1 LEU 186 HB3 -0.01 0.02 0.10 -0.04 1.64 1.71 2ri1A1 LEU 186 HG 0.01 -0.11 -0.03 -0.04 1.64 1.47 2ri1A1 LEU 186 HD13 0.01 0.01 -0.09 -0.04 0.93 0.82 2ri1A1 LEU 186 HD23 0.03 -0.02 -0.04 -0.04 0.89 0.82 2ri1A1 LEU 187 H -0.06 0.69 0.30 -0.55 8.37 8.76 2ri1A1 LEU 187 HA -0.08 0.22 1.09 -0.75 4.35 4.83 2ri1A1 LEU 187 HB2 -0.08 0.02 -0.12 -0.04 1.64 1.42 2ri1A1 LEU 187 HB3 -0.08 -0.03 -0.02 -0.04 1.64 1.48 2ri1A1 LEU 187 HG -0.10 0.06 -0.23 -0.04 1.64 1.32 2ri1A1 LEU 187 HD13 -0.08 -0.00 -0.20 -0.04 0.93 0.61 2ri1A1 LEU 187 HD23 -0.12 -0.03 -0.41 -0.04 0.89 0.29 2ri1A1 MET 188 H -0.13 0.66 0.37 -0.55 8.47 8.82 2ri1A1 MET 188 HA -0.25 0.36 0.93 -0.75 4.52 4.81 2ri1A1 MET 188 HB2 -0.14 -0.02 0.06 -0.04 2.15 2.01 2ri1A1 MET 188 HB3 -0.36 -0.10 -0.03 -0.04 2.03 1.50 2ri1A1 MET 188 HG2 0.07 0.00 -0.13 -0.04 2.63 2.54 2ri1A1 MET 188 HG3 -0.03 0.01 -0.36 -0.04 2.56 2.15 2ri1A1 MET 188 HE3 0.29 -0.01 -0.10 -0.04 2.10 2.24 2ri1A1 ALA 189 H -0.69 0.52 0.29 -0.55 8.40 7.97 2ri1A1 ALA 189 HA -0.39 0.04 0.76 -0.75 4.34 4.01 2ri1A1 ALA 189 HB3 -0.19 0.04 -0.06 -0.04 1.41 1.16 2ri1A1 PHE 190 H -0.26 0.26 0.19 -0.55 8.34 7.97 2ri1A1 PHE 190 HA -0.01 0.05 0.99 -0.75 4.62 4.89 2ri1A1 PHE 190 HB2 -0.01 0.06 0.03 -0.04 3.15 3.19 2ri1A1 PHE 190 HB3 -0.00 -0.14 0.11 -0.04 3.06 2.99 2ri1A1 PHE 190 HD2 -0.01 -0.07 -0.03 -0.04 7.28 7.13 2ri1A1 PHE 190 HE2 -0.02 0.18 -0.11 -0.04 7.38 7.40 2ri1A1 PHE 190 HZ -0.02 0.09 -0.18 -0.04 7.32 7.18 2ri1A1 GLY 191 H 0.14 0.00 0.12 -0.55 8.43 8.15 2ri1A1 GLY 191 HA2 0.06 0.02 0.43 -0.51 4.01 4.02 2ri1A1 GLY 191 HA3 0.07 0.20 0.72 -0.51 4.01 4.49 2ri1A1 GLU 192 H 0.03 0.20 0.12 -0.55 8.60 8.41 2ri1A1 GLU 192 HA 0.02 0.20 0.28 -0.75 4.29 4.04 2ri1A1 GLU 192 HB2 0.02 -0.03 0.16 -0.04 2.09 2.21 2ri1A1 GLU 192 HB3 0.02 0.04 0.02 -0.04 1.99 2.03 2ri1A1 GLU 192 HG2 0.01 0.02 0.10 -0.04 2.34 2.43 2ri1A1 GLU 192 HG3 0.01 0.04 0.07 -0.04 2.34 2.42 2ri1A1 GLU 193 H 0.02 0.05 -0.26 -0.55 8.60 7.86 2ri1A1 GLU 193 HA 0.02 0.12 0.43 -0.75 4.29 4.10 2ri1A1 GLU 193 HB2 0.02 0.02 0.08 -0.04 2.09 2.17 2ri1A1 GLU 193 HB3 0.03 0.04 0.11 -0.04 1.99 2.12 2ri1A1 GLU 193 HG2 0.03 0.00 0.06 -0.04 2.34 2.39 2ri1A1 GLU 193 HG3 0.03 -0.10 -0.00 -0.04 2.34 2.23 2ri1A1 LYS 194 H 0.00 0.43 -0.52 -0.55 8.42 7.78 2ri1A1 LYS 194 HA -0.03 0.19 0.75 -0.75 4.32 4.48 2ri1A1 LYS 194 HB2 -0.05 0.03 -0.10 -0.04 1.87 1.71 2ri1A1 LYS 194 HB3 -0.07 0.01 0.06 -0.04 1.79 1.75 2ri1A1 LYS 194 HG2 -0.01 -0.02 -0.10 -0.04 1.46 1.29 2ri1A1 LYS 194 HG3 -0.07 -0.12 0.04 -0.04 1.46 1.26 2ri1A1 LYS 194 HD2 -0.08 0.13 -0.14 -0.04 1.69 1.56 2ri1A1 LYS 194 HD3 -0.03 0.01 -0.33 -0.04 1.68 1.28 2ri1A1 LYS 194 HE2 -0.02 -0.09 -0.02 -0.04 2.99 2.82 2ri1A1 LYS 194 HE3 0.00 -0.05 -0.01 -0.04 2.99 2.89 2ri1A1 ALA 195 H -0.00 0.43 -0.12 -0.55 8.40 8.16 2ri1A1 ALA 195 HA -0.01 0.35 0.33 -0.75 4.34 4.25 2ri1A1 ALA 195 HB3 0.00 0.02 0.13 -0.04 1.41 1.52 2ri1A1 GLU 196 H -0.00 0.15 -0.11 -0.55 8.60 8.10 2ri1A1 GLU 196 HA -0.00 0.10 0.47 -0.75 4.29 4.11 2ri1A1 GLU 196 HB2 0.00 -0.01 0.12 -0.04 2.09 2.16 2ri1A1 GLU 196 HB3 0.00 0.10 -0.01 -0.04 1.99 2.05 2ri1A1 GLU 196 HG2 0.01 0.01 0.05 -0.04 2.34 2.37 2ri1A1 GLU 196 HG3 0.01 -0.01 0.02 -0.04 2.34 2.32 2ri1A1 ALA 197 H -0.01 0.13 -0.19 -0.55 8.40 7.78 2ri1A1 ALA 197 HA -0.01 0.05 0.43 -0.75 4.34 4.05 2ri1A1 ALA 197 HB3 -0.04 0.02 0.06 -0.04 1.41 1.41 2ri1A1 VAL 198 H -0.03 0.62 -0.06 -0.55 8.24 8.21 2ri1A1 VAL 198 HA -0.04 0.02 0.44 -0.75 4.13 3.79 2ri1A1 VAL 198 HB -0.03 0.16 0.10 -0.04 2.12 2.31 2ri1A1 VAL 198 HG13 -0.03 -0.02 -0.23 -0.04 0.97 0.64 2ri1A1 VAL 198 HG23 -0.07 0.00 -0.07 -0.04 0.95 0.77 2ri1A1 ALA 199 H -0.01 0.48 -0.13 -0.55 8.40 8.20 2ri1A1 ALA 199 HA -0.01 0.05 0.34 -0.75 4.34 3.97 2ri1A1 ALA 199 HB3 -0.00 0.00 0.07 -0.04 1.41 1.44 2ri1A1 ALA 200 H -0.00 0.45 -0.15 -0.55 8.40 8.16 2ri1A1 ALA 200 HA 0.01 -0.03 0.48 -0.75 4.34 4.04 2ri1A1 ALA 200 HB3 0.01 0.01 0.07 -0.04 1.41 1.45 2ri1A1 MET 201 H -0.01 0.47 -0.26 -0.55 8.47 8.13 2ri1A1 MET 201 HA 0.00 -0.06 0.24 -0.75 4.52 3.95 2ri1A1 MET 201 HB2 -0.02 -0.14 -0.07 -0.04 2.15 1.88 2ri1A1 MET 201 HB3 -0.02 0.14 0.10 -0.04 2.03 2.21 2ri1A1 MET 201 HG2 -0.03 0.07 -0.42 -0.04 2.63 2.21 2ri1A1 MET 201 HG3 -0.03 0.21 -0.21 -0.04 2.56 2.49 2ri1A1 MET 201 HE3 -0.05 0.00 -0.12 -0.04 2.10 1.89 2ri1A1 VAL 202 H -0.01 0.30 -0.21 -0.55 8.24 7.77 2ri1A1 VAL 202 HA -0.01 0.16 0.64 -0.75 4.13 4.16 2ri1A1 VAL 202 HB -0.01 -0.01 0.06 -0.04 2.12 2.12 2ri1A1 VAL 202 HG13 -0.01 -0.01 -0.08 -0.04 0.97 0.82 2ri1A1 VAL 202 HG23 -0.02 0.00 -0.11 -0.04 0.95 0.79 2ri1A1 LYS 203 H -0.00 0.75 0.15 -0.55 8.42 8.76 2ri1A1 LYS 203 HA 0.00 0.14 0.67 -0.75 4.32 4.37 2ri1A1 LYS 203 HB2 0.00 0.02 0.05 -0.04 1.87 1.90 2ri1A1 LYS 203 HB3 0.00 -0.09 0.05 -0.04 1.79 1.72 2ri1A1 LYS 203 HG2 -0.00 0.02 -0.15 -0.04 1.46 1.29 2ri1A1 LYS 203 HG3 -0.00 -0.03 -0.01 -0.04 1.46 1.38 2ri1A1 LYS 203 HD2 -0.00 0.18 0.09 -0.04 1.69 1.92 2ri1A1 LYS 203 HD3 0.00 -0.06 0.02 -0.04 1.68 1.60 2ri1A1 LYS 203 HE2 -0.00 -0.00 -0.00 -0.04 2.99 2.94 2ri1A1 LYS 203 HE3 -0.00 -0.06 0.01 -0.04 2.99 2.89 2ri1A1 GLY 204 H 0.01 0.16 0.04 -0.55 8.43 8.08 2ri1A1 GLY 204 HA2 0.01 -0.03 0.34 -0.51 4.01 3.82 2ri1A1 GLY 204 HA3 0.02 -0.02 0.37 -0.51 4.01 3.87 2ri1A1 PRO 205 HA 0.02 0.14 0.56 -0.51 4.44 4.65 2ri1A1 PRO 205 HB2 0.04 0.04 -0.15 -0.04 2.28 2.16 2ri1A1 PRO 205 HB3 0.02 0.02 0.08 -0.04 2.02 2.10 2ri1A1 PRO 205 HG2 0.03 -0.05 -0.04 -0.04 2.03 1.93 2ri1A1 PRO 205 HG3 0.02 0.00 0.03 -0.04 2.03 2.04 2ri1A1 PRO 205 HD2 0.02 0.02 0.20 -0.04 3.68 3.88 2ri1A1 PRO 205 HD3 0.02 0.13 0.14 -0.04 3.65 3.89 2ri1A1 VAL 206 H 0.04 0.14 0.08 -0.55 8.24 7.95 2ri1A1 VAL 206 HA 0.09 0.11 0.58 -0.75 4.13 4.16 2ri1A1 VAL 206 HB 0.06 -0.06 0.16 -0.04 2.12 2.23 2ri1A1 VAL 206 HG13 0.01 -0.03 -0.16 -0.04 0.97 0.75 2ri1A1 VAL 206 HG23 -0.02 0.09 -0.02 -0.04 0.95 0.96 2ri1A1 THR 207 H 0.23 0.40 0.10 -0.55 8.28 8.47 2ri1A1 THR 207 HA 0.09 0.19 0.76 -0.75 4.39 4.67 2ri1A1 THR 207 HB 0.04 -0.36 -0.36 -0.04 4.32 3.60 2ri1A1 THR 207 HG23 0.00 0.01 -0.01 -0.04 1.22 1.19 2ri1A1 GLU 208 H -0.22 0.19 0.07 -0.55 8.60 8.09 2ri1A1 GLU 208 HA -0.48 0.20 0.29 -0.75 4.29 3.55 2ri1A1 GLU 208 HB2 -0.20 -0.01 -0.05 -0.04 2.09 1.78 2ri1A1 GLU 208 HB3 -0.26 0.04 -0.23 -0.04 1.99 1.49 2ri1A1 GLU 208 HG2 -0.38 -0.03 -0.15 -0.04 2.34 1.74 2ri1A1 GLU 208 HG3 -1.18 0.01 -0.01 -0.04 2.34 1.13 2ri1A1 GLU 209 H -0.02 0.05 -0.52 -0.55 8.60 7.56 2ri1A1 GLU 209 HA -0.00 -0.02 0.54 -0.75 4.29 4.05 2ri1A1 GLU 209 HB2 0.02 0.07 -0.05 -0.04 2.09 2.09 2ri1A1 GLU 209 HB3 0.01 0.03 0.04 -0.04 1.99 2.03 2ri1A1 GLU 209 HG2 -0.02 -0.08 -0.03 -0.04 2.34 2.17 2ri1A1 GLU 209 HG3 -0.00 0.05 -0.02 -0.04 2.34 2.33 2ri1A1 ILE 210 H 0.08 0.53 -0.37 -0.55 8.25 7.94 2ri1A1 ILE 210 HA 0.06 0.19 0.73 -0.75 4.18 4.41 2ri1A1 ILE 210 HB 0.08 0.07 0.15 -0.04 1.89 2.15 2ri1A1 ILE 210 HG12 0.04 -0.16 -0.26 -0.04 1.49 1.07 2ri1A1 ILE 210 HG13 0.04 0.10 -0.07 -0.04 1.21 1.24 2ri1A1 ILE 210 HG23 0.04 -0.04 -0.21 -0.04 0.93 0.68 2ri1A1 ILE 210 HD13 0.03 0.05 -0.13 -0.04 0.88 0.78 2ri1A1 PRO 211 HA 0.30 0.06 0.40 -0.51 4.44 4.68 2ri1A1 PRO 211 HB2 0.11 0.07 0.07 -0.04 2.28 2.49 2ri1A1 PRO 211 HB3 0.15 -0.03 -0.02 -0.04 2.02 2.08 2ri1A1 PRO 211 HG2 0.12 -0.02 -0.26 -0.04 2.03 1.83 2ri1A1 PRO 211 HG3 0.09 0.06 -0.35 -0.04 2.03 1.79 2ri1A1 PRO 211 HD2 0.08 0.13 -0.18 -0.04 3.68 3.67 2ri1A1 PRO 211 HD3 0.07 0.23 -0.32 -0.04 3.65 3.60 2ri1A1 ALA 212 H 0.06 0.35 -0.15 -0.55 8.40 8.10 2ri1A1 ALA 212 HA 0.00 0.05 0.39 -0.75 4.34 4.02 2ri1A1 ALA 212 HB3 -0.02 0.02 -0.00 -0.04 1.41 1.37 2ri1A1 SER 213 H 0.07 0.34 -0.43 -0.55 8.46 7.89 2ri1A1 SER 213 HA -0.01 0.29 0.49 -0.75 4.49 4.51 2ri1A1 SER 213 HB2 0.04 0.17 0.07 -0.04 3.95 4.19 2ri1A1 SER 213 HB3 0.06 -0.04 0.09 -0.04 3.93 4.00 2ri1A1 ILE 214 H -0.14 0.33 -0.30 -0.55 8.25 7.58 2ri1A1 ILE 214 HA -0.45 0.06 0.46 -0.75 4.18 3.49 2ri1A1 ILE 214 HB -1.38 -0.04 0.06 -0.04 1.89 0.48 2ri1A1 ILE 214 HG12 -0.33 0.04 0.02 -0.04 1.49 1.19 2ri1A1 ILE 214 HG13 -0.96 -0.06 0.01 -0.04 1.21 0.16 2ri1A1 ILE 214 HG23 -0.12 0.08 -0.06 -0.04 0.93 0.79 2ri1A1 ILE 214 HD13 -0.17 -0.01 -0.07 -0.04 0.88 0.59 2ri1A1 LEU 215 H -0.08 0.42 -0.41 -0.55 8.37 7.74 2ri1A1 LEU 215 HA -0.03 0.01 0.34 -0.75 4.35 3.92 2ri1A1 LEU 215 HB2 -0.05 0.21 0.05 -0.04 1.64 1.82 2ri1A1 LEU 215 HB3 -0.05 -0.04 -0.01 -0.04 1.64 1.50 2ri1A1 LEU 215 HG -0.05 -0.05 0.02 -0.04 1.64 1.51 2ri1A1 LEU 215 HD13 -0.06 -0.02 -0.05 -0.04 0.93 0.76 2ri1A1 LEU 215 HD23 -0.09 -0.01 -0.09 -0.04 0.89 0.65 2ri1A1 GLN 216 H -0.06 0.34 -0.42 -0.55 8.47 7.78 2ri1A1 GLN 216 HA -0.02 0.02 0.36 -0.75 4.36 3.97 2ri1A1 GLN 216 HB2 -0.04 0.07 0.08 -0.04 2.15 2.21 2ri1A1 GLN 216 HB3 -0.02 -0.07 0.06 -0.04 2.02 1.95 2ri1A1 GLN 216 HG2 -0.02 -0.08 0.13 -0.04 2.40 2.39 2ri1A1 GLN 216 HG3 -0.02 0.11 0.19 -0.04 2.39 2.62 2ri1A1 GLN 216 HE21 0.01 0.45 -0.29 -0.04 6.97 7.10 2ri1A1 GLN 216 HE22 -0.00 0.21 -0.17 -0.04 7.69 7.69 2ri1A1 THR 217 H -0.05 0.31 -0.59 -0.55 8.28 7.41 2ri1A1 THR 217 HA -0.04 0.17 0.59 -0.75 4.39 4.36 2ri1A1 THR 217 HB -0.06 -0.08 0.09 -0.04 4.32 4.23 2ri1A1 THR 217 HG23 -0.08 -0.04 -0.06 -0.04 1.22 1.00 2ri1A1 HIS 218 H 0.06 0.21 -0.19 -0.55 8.41 7.95 2ri1A1 HIS 218 HA -0.04 0.10 0.52 -0.75 4.63 4.45 2ri1A1 HIS 218 HB2 -0.05 -0.09 0.07 -0.04 3.26 3.15 2ri1A1 HIS 218 HB3 -0.04 0.02 0.02 -0.04 3.20 3.16 2ri1A1 HIS 218 HD2 -0.03 -0.03 0.07 -0.04 6.97 6.93 2ri1A1 HIS 218 HE1 -0.02 0.20 -0.33 -0.04 7.75 7.56 2ri1A1 PRO 219 HA -0.05 0.17 0.40 -0.51 4.44 4.44 2ri1A1 PRO 219 HB2 -0.09 -0.05 0.05 -0.04 2.28 2.15 2ri1A1 PRO 219 HB3 -0.11 0.03 0.12 -0.04 2.02 2.02 2ri1A1 PRO 219 HG2 -0.33 0.10 0.06 -0.04 2.03 1.81 2ri1A1 PRO 219 HG3 -0.23 -0.03 0.08 -0.04 2.03 1.81 2ri1A1 PRO 219 HD2 -1.26 0.11 0.20 -0.04 3.68 2.68 2ri1A1 PRO 219 HD3 -0.32 0.14 0.20 -0.04 3.65 3.63 2ri1A1 LYS 220 H 0.53 0.05 -0.41 -0.55 8.42 8.04 2ri1A1 LYS 220 HA 0.07 0.15 0.64 -0.75 4.32 4.43 2ri1A1 LYS 220 HB2 0.05 0.03 -0.27 -0.04 1.87 1.64 2ri1A1 LYS 220 HB3 0.14 0.17 0.28 -0.04 1.79 2.33 2ri1A1 LYS 220 HG2 0.03 -0.10 -0.03 -0.04 1.46 1.33 2ri1A1 LYS 220 HG3 0.02 0.00 0.08 -0.04 1.46 1.52 2ri1A1 LYS 220 HD2 0.01 0.00 0.01 -0.04 1.69 1.66 2ri1A1 LYS 220 HD3 0.03 0.08 0.01 -0.04 1.68 1.76 2ri1A1 LYS 220 HE2 -0.00 -0.06 -0.04 -0.04 2.99 2.84 2ri1A1 LYS 220 HE3 -0.01 -0.03 -0.03 -0.04 2.99 2.88 2ri1A1 VAL 221 H 0.07 0.69 0.20 -0.55 8.24 8.65 2ri1A1 VAL 221 HA -0.08 0.14 1.03 -0.75 4.13 4.47 2ri1A1 VAL 221 HB -0.01 0.06 0.08 -0.04 2.12 2.22 2ri1A1 VAL 221 HG13 -0.07 -0.05 -0.22 -0.04 0.97 0.59 2ri1A1 VAL 221 HG23 -0.07 -0.00 -0.06 -0.04 0.95 0.77 2ri1A1 ILE 222 H -0.04 0.74 0.37 -0.55 8.25 8.76 2ri1A1 ILE 222 HA -0.01 0.20 0.96 -0.75 4.18 4.57 2ri1A1 ILE 222 HB -0.01 0.01 0.15 -0.04 1.89 1.99 2ri1A1 ILE 222 HG12 -0.00 -0.07 -0.07 -0.04 1.49 1.31 2ri1A1 ILE 222 HG13 -0.01 0.06 -0.06 -0.04 1.21 1.17 2ri1A1 ILE 222 HG23 -0.00 -0.04 -0.20 -0.04 0.93 0.65 2ri1A1 ILE 222 HD13 -0.00 0.01 -0.22 -0.04 0.88 0.63 2ri1A1 LEU 223 H -0.02 0.77 0.24 -0.55 8.37 8.82 2ri1A1 LEU 223 HA -0.05 0.19 0.84 -0.75 4.35 4.58 2ri1A1 LEU 223 HB2 -0.04 0.03 -0.05 -0.04 1.64 1.55 2ri1A1 LEU 223 HB3 -0.03 0.09 0.16 -0.04 1.64 1.82 2ri1A1 LEU 223 HG -0.04 -0.10 -0.27 -0.04 1.64 1.19 2ri1A1 LEU 223 HD13 -0.08 0.02 -0.17 -0.04 0.93 0.66 2ri1A1 LEU 223 HD23 -0.03 0.00 -0.14 -0.04 0.89 0.68 2ri1A1 ILE 224 H -0.05 0.75 0.32 -0.55 8.25 8.72 2ri1A1 ILE 224 HA 0.02 0.27 0.99 -0.75 4.18 4.71 2ri1A1 ILE 224 HB 0.03 -0.05 0.08 -0.04 1.89 1.92 2ri1A1 ILE 224 HG12 0.05 0.00 -0.05 -0.04 1.49 1.44 2ri1A1 ILE 224 HG13 0.02 0.04 -0.24 -0.04 1.21 0.99 2ri1A1 ILE 224 HG23 0.18 -0.01 -0.19 -0.04 0.93 0.86 2ri1A1 ILE 224 HD13 0.07 0.02 -0.10 -0.04 0.88 0.83 2ri1A1 VAL 225 H 0.04 0.68 0.28 -0.55 8.24 8.69 2ri1A1 VAL 225 HA -0.10 0.24 0.87 -0.75 4.13 4.39 2ri1A1 VAL 225 HB -0.05 0.00 -0.49 -0.04 2.12 1.54 2ri1A1 VAL 225 HG13 0.00 0.03 -0.16 -0.04 0.97 0.80 2ri1A1 VAL 225 HG23 -0.07 -0.03 -0.22 -0.04 0.95 0.59 2ri1A1 ASP 226 H 0.24 0.19 0.26 -0.55 8.40 8.54 2ri1A1 ASP 226 HA 0.12 0.27 0.68 -0.75 4.63 4.95 2ri1A1 ASP 226 HB2 0.09 0.19 -0.20 -0.04 2.71 2.75 2ri1A1 ASP 226 HB3 0.27 -0.04 -0.14 -0.04 2.70 2.75 2ri1A1 GLU 227 H 0.05 0.40 0.20 -0.55 8.60 8.70 2ri1A1 GLU 227 HA 0.03 0.14 0.25 -0.75 4.29 3.95 2ri1A1 GLU 227 HB2 0.03 -0.03 0.17 -0.04 2.09 2.21 2ri1A1 GLU 227 HB3 0.02 0.05 -0.04 -0.04 1.99 1.98 2ri1A1 GLU 227 HG2 0.02 0.08 -0.00 -0.04 2.34 2.40 2ri1A1 GLU 227 HG3 0.02 0.00 0.02 -0.04 2.34 2.33 2ri1A1 LYS 228 H 0.04 0.02 -0.16 -0.55 8.42 7.77 2ri1A1 LYS 228 HA 0.02 0.21 0.55 -0.75 4.32 4.34 2ri1A1 LYS 228 HB2 0.05 -0.20 0.05 -0.04 1.87 1.73 2ri1A1 LYS 228 HB3 0.03 -0.04 -0.06 -0.04 1.79 1.68 2ri1A1 LYS 228 HG2 0.02 0.07 0.03 -0.04 1.46 1.54 2ri1A1 LYS 228 HG3 0.03 -0.01 0.09 -0.04 1.46 1.53 2ri1A1 LYS 228 HD2 0.02 -0.10 0.07 -0.04 1.69 1.64 2ri1A1 LYS 228 HD3 0.02 0.11 0.04 -0.04 1.68 1.81 2ri1A1 LYS 228 HE2 0.02 0.06 0.04 -0.04 2.99 3.07 2ri1A1 LYS 228 HE3 0.02 -0.07 0.07 -0.04 2.99 2.97 2ri1A1 ALA 229 H 0.05 0.02 -0.20 -0.55 8.40 7.72 2ri1A1 ALA 229 HA 0.00 0.08 0.32 -0.75 4.34 3.98 2ri1A1 ALA 229 HB3 -0.03 0.02 -0.18 -0.04 1.41 1.18 2ri1A1 GLY 230 H 0.01 0.24 -0.57 -0.55 8.43 7.57 2ri1A1 GLY 230 HA2 -0.01 0.14 0.50 -0.51 4.01 4.12 2ri1A1 GLY 230 HA3 0.00 0.06 0.13 -0.51 4.01 3.69 2ri1A1 ALA 231 H 0.01 0.20 -0.49 -0.55 8.40 7.57 2ri1A1 ALA 231 HA 0.01 0.08 0.34 -0.75 4.34 4.02 2ri1A1 ALA 231 HB3 0.01 -0.03 0.10 -0.04 1.41 1.45 2ri1A1 GLY 232 H -0.00 0.05 -0.37 -0.55 8.43 7.56 2ri1A1 GLY 232 HA2 0.00 0.06 0.38 -0.51 4.01 3.93 2ri1A1 GLY 232 HA3 -0.00 -0.03 0.23 -0.51 4.01 3.69 2ri1A1 ILE 233 H -0.00 0.56 -0.44 -0.55 8.25 7.82 2ri1A1 ILE 233 HA -0.00 0.25 0.73 -0.75 4.18 4.41 2ri1A1 ILE 233 HB -0.01 0.04 -0.03 -0.04 1.89 1.86 2ri1A1 ILE 233 HG12 -0.01 -0.09 -0.08 -0.04 1.49 1.27 2ri1A1 ILE 233 HG13 -0.00 0.04 -0.01 -0.04 1.21 1.20 2ri1A1 ILE 233 HG23 -0.01 -0.01 -0.34 -0.04 0.93 0.53 2ri1A1 ILE 233 HD13 -0.01 -0.00 -0.12 -0.04 0.88 0.71