============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 23 1.000 51.513 94.281 66.485 -99.200 -91.000 PHE 27 1.000 41.922 100.318 66.692 -99.200 -91.000 TYR 38 0.840 24.367 92.310 60.243 -99.200 -91.000 TYR 40 0.840 31.370 95.126 60.157 -99.200 -91.000 PHE 42 1.000 41.760 96.429 62.370 -99.200 -91.000 HIS 51 0.900 32.528 81.933 68.318 -99.200 -91.000 PHE 73 1.000 45.854 86.851 64.406 -99.200 -91.000 PHE 79 1.000 50.384 95.300 49.385 -99.200 -91.000 TRP 84 1.040 47.272 105.721 50.865 -99.200 -91.000 TRP6 84 1.020 47.784 103.580 50.003 -99.200 -91.000 TYR 89 0.840 44.145 91.395 59.836 -99.200 -91.000 TYR 95 0.840 31.624 87.699 50.707 -99.200 -91.000 HIS 98 0.900 24.952 89.376 46.861 -99.200 -91.000 HIS 115 0.900 44.407 115.545 67.460 -99.200 -91.000 PHE 121 1.000 37.249 99.582 62.739 -99.200 -91.000 PHE 135 1.000 36.478 96.355 48.886 -99.200 -91.000 TYR 136 0.840 32.730 91.984 54.804 -99.200 -91.000 PHE 138 1.000 35.632 96.882 58.194 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2rl7B1 GLU 3 HA -0.01 0.01 0.08 -0.75 4.29 3.62 2rl7B1 GLU 3 HB2 0.01 -0.01 0.09 -0.04 2.09 2.15 2rl7B1 GLU 3 HB3 0.01 -0.02 0.04 -0.04 1.99 1.97 2rl7B1 GLU 3 HG2 0.01 -0.02 -0.05 -0.04 2.34 2.23 2rl7B1 GLU 3 HG3 0.01 0.00 -0.27 -0.04 2.34 2.05 2rl7B1 LYS 4 H 0.02 0.14 0.07 -0.55 8.42 8.10 2rl7B1 LYS 4 HA 0.04 0.00 0.51 -0.75 4.32 4.12 2rl7B1 LYS 4 HB2 0.13 -0.06 0.15 -0.04 1.87 2.04 2rl7B1 LYS 4 HB3 0.13 0.02 -0.01 -0.04 1.79 1.90 2rl7B1 LYS 4 HG2 0.02 0.03 0.05 -0.04 1.46 1.53 2rl7B1 LYS 4 HG3 0.03 -0.06 0.02 -0.04 1.46 1.41 2rl7B1 LYS 4 HD2 0.02 0.04 -0.01 -0.04 1.69 1.70 2rl7B1 LYS 4 HD3 0.00 -0.03 -0.01 -0.04 1.68 1.60 2rl7B1 LYS 4 HE2 -0.03 -0.05 -0.02 -0.04 2.99 2.85 2rl7B1 LYS 4 HE3 -0.00 0.07 -0.02 -0.04 2.99 3.00 2rl7B1 THR 5 H 0.05 0.09 0.15 -0.55 8.28 8.02 2rl7B1 THR 5 HA -0.18 0.49 0.92 -0.75 4.39 4.87 2rl7B1 THR 5 HB -0.17 -0.24 0.22 -0.04 4.32 4.09 2rl7B1 THR 5 HG23 -0.11 0.06 -0.11 -0.04 1.22 1.01 2rl7B1 CYS 6 H -0.13 0.09 0.14 -0.55 8.50 8.06 2rl7B1 CYS 6 HA 0.26 0.17 0.48 -0.75 4.58 4.74 2rl7B1 CYS 6 HB2 0.04 -0.03 0.12 -0.04 2.97 3.06 2rl7B1 CYS 6 HB3 0.12 0.01 -0.05 -0.04 2.97 3.00 2rl7B1 ASP 7 H 0.08 0.75 0.45 -0.55 8.40 9.13 2rl7B1 ASP 7 HA 0.03 0.20 0.92 -0.75 4.63 5.04 2rl7B1 ASP 7 HB2 -0.03 -0.13 0.29 -0.04 2.71 2.80 2rl7B1 ASP 7 HB3 -0.01 0.08 0.03 -0.04 2.70 2.76 2rl7B1 LEU 8 H 0.03 0.14 -0.01 -0.55 8.37 7.99 2rl7B1 LEU 8 HA 0.04 0.23 0.59 -0.75 4.35 4.46 2rl7B1 LEU 8 HB2 0.02 -0.04 0.07 -0.04 1.64 1.64 2rl7B1 LEU 8 HB3 0.01 0.12 -0.05 -0.04 1.64 1.68 2rl7B1 LEU 8 HG 0.00 -0.00 -0.09 -0.04 1.64 1.52 2rl7B1 LEU 8 HD13 0.04 -0.03 -0.17 -0.04 0.93 0.73 2rl7B1 LEU 8 HD23 0.00 -0.02 -0.09 -0.04 0.89 0.74 2rl7B1 VAL 9 H 0.03 0.47 0.21 -0.55 8.24 8.40 2rl7B1 VAL 9 HA 0.02 0.07 0.44 -0.75 4.13 3.90 2rl7B1 VAL 9 HB 0.05 -0.02 -0.00 -0.04 2.12 2.10 2rl7B1 VAL 9 HG13 0.04 -0.01 -0.09 -0.04 0.97 0.87 2rl7B1 VAL 9 HG23 0.05 0.01 -0.17 -0.04 0.95 0.80 2rl7B1 GLY 10 H 0.02 0.25 0.10 -0.55 8.43 8.26 2rl7B1 GLY 10 HA2 0.03 0.03 0.20 -0.51 4.01 3.76 2rl7B1 GLY 10 HA3 0.02 0.19 0.35 -0.51 4.01 4.06 2rl7B1 SER 16 HA 0.01 -0.09 0.30 -0.75 4.49 3.95 2rl7B1 SER 16 HB2 0.01 0.04 0.16 -0.04 3.95 4.12 2rl7B1 SER 16 HB3 -0.00 0.07 0.12 -0.04 3.93 4.08 2rl7B1 GLU 17 H 0.00 0.06 0.23 -0.55 8.60 8.35 2rl7B1 GLU 17 HA 0.01 0.19 0.11 -0.75 4.29 3.84 2rl7B1 GLU 17 HB2 0.01 -0.04 0.14 -0.04 2.09 2.16 2rl7B1 GLU 17 HB3 0.01 0.04 -0.02 -0.04 1.99 1.98 2rl7B1 GLU 17 HG2 0.01 0.03 0.00 -0.04 2.34 2.34 2rl7B1 GLU 17 HG3 0.01 0.06 -0.07 -0.04 2.34 2.29 2rl7B1 LYS 18 H 0.00 0.16 0.18 -0.55 8.42 8.21 2rl7B1 LYS 18 HA -0.00 0.13 0.61 -0.75 4.32 4.30 2rl7B1 LYS 18 HB2 0.01 -0.03 0.18 -0.04 1.87 1.98 2rl7B1 LYS 18 HB3 0.00 0.06 -0.07 -0.04 1.79 1.75 2rl7B1 LYS 18 HG2 0.00 0.02 0.10 -0.04 1.46 1.54 2rl7B1 LYS 18 HG3 0.01 0.03 0.04 -0.04 1.46 1.50 2rl7B1 LYS 18 HD2 0.00 0.01 -0.07 -0.04 1.69 1.60 2rl7B1 LYS 18 HD3 -0.01 -0.03 0.09 -0.04 1.68 1.70 2rl7B1 LYS 18 HE2 -0.01 0.03 0.01 -0.04 2.99 2.98 2rl7B1 LYS 18 HE3 -0.01 0.01 0.03 -0.04 2.99 2.99 2rl7B1 GLU 19 H -0.01 0.05 -0.61 -0.55 8.60 7.49 2rl7B1 GLU 19 HA -0.05 0.12 0.47 -0.75 4.29 4.08 2rl7B1 GLU 19 HB2 -0.05 -0.11 -0.08 -0.04 2.09 1.80 2rl7B1 GLU 19 HB3 -0.03 0.24 -0.00 -0.04 1.99 2.15 2rl7B1 GLU 19 HG2 -0.11 -0.06 0.04 -0.04 2.34 2.17 2rl7B1 GLU 19 HG3 -0.20 0.14 0.11 -0.04 2.34 2.35 2rl7B1 LEU 20 H 0.00 0.11 0.18 -0.55 8.37 8.11 2rl7B1 LEU 20 HA 0.03 0.04 0.42 -0.75 4.35 4.08 2rl7B1 LEU 20 HB2 0.01 0.07 0.27 -0.04 1.64 1.95 2rl7B1 LEU 20 HB3 0.02 -0.02 0.09 -0.04 1.64 1.70 2rl7B1 LEU 20 HG 0.01 0.20 0.10 -0.04 1.64 1.91 2rl7B1 LEU 20 HD13 0.01 -0.02 -0.00 -0.04 0.93 0.88 2rl7B1 LEU 20 HD23 0.03 -0.01 0.04 -0.04 0.89 0.91 2rl7B1 ALA 21 H 0.00 0.52 -0.25 -0.55 8.40 8.12 2rl7B1 ALA 21 HA 0.01 0.00 0.21 -0.75 4.34 3.81 2rl7B1 ALA 21 HB3 -0.00 0.04 0.09 -0.04 1.41 1.49 2rl7B1 LEU 22 H 0.00 0.30 -0.39 -0.55 8.37 7.73 2rl7B1 LEU 22 HA 0.00 0.08 0.46 -0.75 4.35 4.15 2rl7B1 LEU 22 HB2 -0.01 0.14 0.13 -0.04 1.64 1.86 2rl7B1 LEU 22 HB3 0.01 -0.03 -0.14 -0.04 1.64 1.44 2rl7B1 LEU 22 HG 0.00 0.01 -0.07 -0.04 1.64 1.55 2rl7B1 LEU 22 HD13 -0.01 0.04 -0.05 -0.04 0.93 0.87 2rl7B1 LEU 22 HD23 -0.02 -0.02 -0.23 -0.04 0.89 0.58 2rl7B1 LEU 23 H 0.04 0.43 -0.13 -0.55 8.37 8.16 2rl7B1 LEU 23 HA 0.14 0.01 0.36 -0.75 4.35 4.10 2rl7B1 LEU 23 HB2 0.08 0.10 0.17 -0.04 1.64 1.95 2rl7B1 LEU 23 HB3 0.17 0.01 -0.05 -0.04 1.64 1.73 2rl7B1 LEU 23 HG 0.16 -0.04 -0.02 -0.04 1.64 1.70 2rl7B1 LEU 23 HD13 0.08 0.01 -0.11 -0.04 0.93 0.86 2rl7B1 LEU 23 HD23 0.07 -0.00 -0.09 -0.04 0.89 0.84 2rl7B1 LYS 24 H 0.04 0.57 -0.15 -0.55 8.42 8.32 2rl7B1 LYS 24 HA 0.00 0.01 0.39 -0.75 4.32 3.97 2rl7B1 LYS 24 HB2 0.02 -0.00 0.05 -0.04 1.87 1.90 2rl7B1 LYS 24 HB3 0.00 0.14 0.08 -0.04 1.79 1.97 2rl7B1 LYS 24 HG2 -0.01 -0.04 -0.03 -0.04 1.46 1.34 2rl7B1 LYS 24 HG3 -0.03 0.02 -0.15 -0.04 1.46 1.25 2rl7B1 LYS 24 HD2 -0.03 -0.01 0.11 -0.04 1.69 1.72 2rl7B1 LYS 24 HD3 0.01 -0.01 0.02 -0.04 1.68 1.66 2rl7B1 LYS 24 HE2 -0.04 -0.00 0.01 -0.04 2.99 2.92 2rl7B1 LYS 24 HE3 -0.02 -0.01 0.01 -0.04 2.99 2.94 2rl7B1 ARG 25 H -0.01 0.36 -0.38 -0.55 8.46 7.88 2rl7B1 ARG 25 HA -0.04 0.00 0.46 -0.75 4.34 4.00 2rl7B1 ARG 25 HB2 -0.01 0.02 0.15 -0.04 1.90 2.02 2rl7B1 ARG 25 HB3 -0.00 0.19 0.16 -0.04 1.80 2.11 2rl7B1 ARG 25 HG2 -0.01 -0.03 -0.08 -0.04 1.67 1.51 2rl7B1 ARG 25 HG3 -0.02 -0.07 0.11 -0.04 1.67 1.65 2rl7B1 ARG 25 HD2 -0.01 -0.07 0.02 -0.04 3.22 3.11 2rl7B1 ARG 25 HD3 -0.01 -0.07 -0.00 -0.04 3.22 3.10 2rl7B1 LEU 26 H -0.02 0.34 -0.49 -0.55 8.37 7.66 2rl7B1 LEU 26 HA -0.04 0.07 0.60 -0.75 4.35 4.23 2rl7B1 LEU 26 HB2 0.11 0.13 0.10 -0.04 1.64 1.94 2rl7B1 LEU 26 HB3 0.18 -0.09 0.02 -0.04 1.64 1.71 2rl7B1 LEU 26 HG 0.10 -0.07 -0.05 -0.04 1.64 1.57 2rl7B1 LEU 26 HD13 0.04 0.02 -0.20 -0.04 0.93 0.74 2rl7B1 LEU 26 HD23 0.11 -0.00 -0.14 -0.04 0.89 0.81 2rl7B1 THR 27 H -0.32 0.41 -0.45 -0.55 8.28 7.37 2rl7B1 THR 27 HA -2.36 0.00 0.36 -0.75 4.39 1.64 2rl7B1 THR 27 HB -0.42 -0.09 0.04 -0.04 4.32 3.80 2rl7B1 THR 27 HG23 -0.27 -0.00 0.15 -0.04 1.22 1.05 2rl7B1 PRO 28 HA -0.12 0.02 0.36 -0.51 4.44 4.20 2rl7B1 PRO 28 HB2 -0.05 0.03 -0.03 -0.04 2.28 2.18 2rl7B1 PRO 28 HB3 -0.05 -0.03 0.09 -0.04 2.02 1.99 2rl7B1 PRO 28 HG2 -0.07 0.06 0.05 -0.04 2.03 2.03 2rl7B1 PRO 28 HG3 -0.09 -0.01 0.05 -0.04 2.03 1.93 2rl7B1 PRO 28 HD2 -0.14 0.22 -0.22 -0.04 3.68 3.49 2rl7B1 PRO 28 HD3 -0.19 0.14 0.00 -0.04 3.65 3.56 2rl7B1 LEU 29 H -0.13 0.59 -0.55 -0.55 8.37 7.72 2rl7B1 LEU 29 HA 0.07 0.09 0.81 -0.75 4.35 4.56 2rl7B1 LEU 29 HB2 0.14 0.14 0.02 -0.04 1.64 1.89 2rl7B1 LEU 29 HB3 0.22 -0.09 0.06 -0.04 1.64 1.80 2rl7B1 LEU 29 HG 0.02 0.03 -0.05 -0.04 1.64 1.60 2rl7B1 LEU 29 HD13 0.08 -0.02 -0.03 -0.04 0.93 0.91 2rl7B1 LEU 29 HD23 0.12 0.02 -0.16 -0.04 0.89 0.84 2rl7B1 PHE 30 H -0.02 0.56 0.02 -0.55 8.34 8.35 2rl7B1 PHE 30 HA -0.08 0.20 0.42 -0.75 4.62 4.41 2rl7B1 PHE 30 HB2 -0.05 0.00 0.13 -0.04 3.15 3.19 2rl7B1 PHE 30 HB3 -0.08 -0.01 0.00 -0.04 3.06 2.93 2rl7B1 PHE 30 HD2 -0.04 -0.06 -0.04 -0.04 7.28 7.11 2rl7B1 PHE 30 HE2 -0.00 -0.07 -0.13 -0.04 7.38 7.14 2rl7B1 PHE 30 HZ 0.00 -0.01 -0.12 -0.04 7.32 7.15 2rl7B1 GLN 31 H 0.05 0.10 -0.30 -0.55 8.47 7.78 2rl7B1 GLN 31 HA -0.03 0.14 0.59 -0.75 4.36 4.32 2rl7B1 GLN 31 HB2 -0.02 0.01 -0.00 -0.04 2.15 2.10 2rl7B1 GLN 31 HB3 -0.03 -0.04 0.07 -0.04 2.02 1.97 2rl7B1 GLN 31 HG2 0.03 -0.00 -0.04 -0.04 2.40 2.35 2rl7B1 GLN 31 HG3 -0.01 -0.04 -0.01 -0.04 2.39 2.30 2rl7B1 GLN 31 HE21 0.01 0.01 -0.07 -0.04 6.97 6.87 2rl7B1 GLN 31 HE22 0.04 -0.01 -0.07 -0.04 7.69 7.61 2rl7B1 LYS 32 H -0.03 0.31 -0.28 -0.55 8.42 7.88 2rl7B1 LYS 32 HA -0.21 0.02 0.55 -0.75 4.32 3.93 2rl7B1 LYS 32 HB2 -0.08 0.11 0.09 -0.04 1.87 1.94 2rl7B1 LYS 32 HB3 -0.65 -0.02 0.04 -0.04 1.79 1.12 2rl7B1 LYS 32 HG2 -0.13 -0.03 0.03 -0.04 1.46 1.29 2rl7B1 LYS 32 HG3 -0.05 0.00 0.05 -0.04 1.46 1.42 2rl7B1 LYS 32 HD2 0.15 -0.00 0.01 -0.04 1.69 1.80 2rl7B1 LYS 32 HD3 0.02 -0.02 -0.01 -0.04 1.68 1.64 2rl7B1 LYS 32 HE2 0.00 0.13 0.02 -0.04 2.99 3.10 2rl7B1 LYS 32 HE3 0.05 -0.09 -0.06 -0.04 2.99 2.85 2rl7B1 SER 33 H -0.44 0.15 0.23 -0.55 8.46 7.85 2rl7B1 SER 33 HA -0.28 0.28 0.95 -0.75 4.49 4.68 2rl7B1 SER 33 HB2 -0.17 0.07 -0.06 -0.04 3.95 3.76 2rl7B1 SER 33 HB3 -0.19 -0.08 0.06 -0.04 3.93 3.67 2rl7B1 PHE 34 H -0.13 0.64 0.32 -0.55 8.34 8.61 2rl7B1 PHE 34 HA -0.11 0.12 0.97 -0.75 4.62 4.85 2rl7B1 PHE 34 HB2 -0.55 -0.00 0.07 -0.04 3.15 2.62 2rl7B1 PHE 34 HB3 -0.75 -0.04 -0.00 -0.04 3.06 2.22 2rl7B1 PHE 34 HD2 -0.20 0.05 -0.13 -0.04 7.28 6.96 2rl7B1 PHE 34 HE2 -0.04 0.03 -0.19 -0.04 7.38 7.13 2rl7B1 PHE 34 HZ 0.01 0.01 -0.10 -0.04 7.32 7.19 2rl7B1 GLU 35 H 0.15 0.25 0.23 -0.55 8.60 8.69 2rl7B1 GLU 35 HA 0.23 0.40 1.03 -0.75 4.29 5.20 2rl7B1 GLU 35 HB2 0.06 0.00 -0.17 -0.04 2.09 1.94 2rl7B1 GLU 35 HB3 0.10 -0.04 0.01 -0.04 1.99 2.02 2rl7B1 GLU 35 HG2 0.17 0.20 0.08 -0.04 2.34 2.74 2rl7B1 GLU 35 HG3 0.08 -0.04 -0.08 -0.04 2.34 2.26 2rl7B1 SER 36 H 0.37 0.48 0.32 -0.55 8.46 9.08 2rl7B1 SER 36 HA 0.24 0.09 0.71 -0.75 4.49 4.79 2rl7B1 SER 36 HB2 0.35 0.21 -0.09 -0.04 3.95 4.38 2rl7B1 SER 36 HB3 0.40 -0.11 0.01 -0.04 3.93 4.19 2rl7B1 THR 37 H 0.15 0.20 0.22 -0.55 8.28 8.31 2rl7B1 THR 37 HA 0.15 0.22 1.15 -0.75 4.39 5.15 2rl7B1 THR 37 HB 0.09 -0.02 0.16 -0.04 4.32 4.51 2rl7B1 THR 37 HG23 0.07 0.03 -0.08 -0.04 1.22 1.20 2rl7B1 VAL 38 H 0.15 0.65 0.44 -0.55 8.24 8.93 2rl7B1 VAL 38 HA 0.10 0.21 0.98 -0.75 4.13 4.67 2rl7B1 VAL 38 HB 0.11 -0.05 0.09 -0.04 2.12 2.24 2rl7B1 VAL 38 HG13 0.17 0.01 -0.19 -0.04 0.97 0.91 2rl7B1 VAL 38 HG23 0.24 -0.01 -0.06 -0.04 0.95 1.07 2rl7B1 GLY 39 H 0.08 0.09 0.17 -0.55 8.43 8.22 2rl7B1 GLY 39 HA2 0.07 -0.01 0.39 -0.51 4.01 3.96 2rl7B1 GLY 39 HA3 0.13 0.22 0.61 -0.51 4.01 4.46 2rl7B1 GLN 40 H 0.06 0.29 0.08 -0.55 8.47 8.35 2rl7B1 GLN 40 HA 0.03 0.12 0.67 -0.75 4.36 4.43 2rl7B1 GLN 40 HB2 0.02 0.02 0.01 -0.04 2.15 2.16 2rl7B1 GLN 40 HB3 0.03 0.03 -0.14 -0.04 2.02 1.91 2rl7B1 GLN 40 HG2 0.03 -0.11 -0.01 -0.04 2.40 2.27 2rl7B1 GLN 40 HG3 0.03 0.11 -0.07 -0.04 2.39 2.42 2rl7B1 GLN 40 HE21 0.01 -0.02 -0.01 -0.04 6.97 6.91 2rl7B1 GLN 40 HE22 0.02 0.06 -0.02 -0.04 7.69 7.70 2rl7B1 SER 41 H 0.02 0.11 0.03 -0.55 8.46 8.07 2rl7B1 SER 41 HA -0.00 0.09 0.24 -0.75 4.49 4.06 2rl7B1 SER 41 HB2 0.01 -0.01 0.06 -0.04 3.95 3.97 2rl7B1 SER 41 HB3 0.00 0.03 0.04 -0.04 3.93 3.96 2rl7B1 PRO 42 HA -0.01 0.03 0.44 -0.51 4.44 4.39 2rl7B1 PRO 42 HB2 -0.02 0.04 0.05 -0.04 2.28 2.32 2rl7B1 PRO 42 HB3 -0.01 0.03 0.13 -0.04 2.02 2.13 2rl7B1 PRO 42 HG2 0.01 -0.08 0.20 -0.04 2.03 2.12 2rl7B1 PRO 42 HG3 0.01 0.04 0.13 -0.04 2.03 2.17 2rl7B1 PRO 42 HD2 0.02 0.13 0.45 -0.04 3.68 4.24 2rl7B1 PRO 42 HD3 0.01 0.08 0.17 -0.04 3.65 3.86 2rl7B1 ASP 43 H 0.02 0.18 0.07 -0.55 8.40 8.12 2rl7B1 ASP 43 HA -0.10 0.12 0.39 -0.75 4.63 4.28 2rl7B1 ASP 43 HB2 0.26 -0.06 0.08 -0.04 2.71 2.95 2rl7B1 ASP 43 HB3 0.08 -0.01 0.13 -0.04 2.70 2.86 2rl7B1 MET 44 H -0.12 0.63 0.42 -0.55 8.47 8.85 2rl7B1 MET 44 HA 0.11 0.21 0.88 -0.75 4.52 4.97 2rl7B1 MET 44 HB2 -0.04 0.00 0.11 -0.04 2.15 2.18 2rl7B1 MET 44 HB3 0.02 0.06 -0.04 -0.04 2.03 2.03 2rl7B1 MET 44 HG2 0.04 0.04 -0.76 -0.04 2.63 1.91 2rl7B1 MET 44 HG3 0.01 -0.06 -0.43 -0.04 2.56 2.03 2rl7B1 MET 44 HE3 0.00 0.00 -0.03 -0.04 2.10 2.04 2rl7B1 TYR 45 H 0.23 0.58 0.32 -0.55 8.29 8.87 2rl7B1 TYR 45 HA -0.05 0.17 1.11 -0.75 4.56 5.04 2rl7B1 TYR 45 HB2 -0.09 -0.03 -0.04 -0.04 3.06 2.87 2rl7B1 TYR 45 HB3 -0.22 -0.01 -0.06 -0.04 2.98 2.65 2rl7B1 TYR 45 HD2 -0.01 0.05 -0.33 -0.04 7.15 6.81 2rl7B1 TYR 45 HE2 0.03 0.03 -0.16 -0.04 6.85 6.70 2rl7B1 SER 46 H -0.02 0.61 0.36 -0.55 8.46 8.87 2rl7B1 SER 46 HA 0.08 0.27 1.12 -0.75 4.49 5.20 2rl7B1 SER 46 HB2 0.05 0.01 -0.08 -0.04 3.95 3.88 2rl7B1 SER 46 HB3 0.02 -0.03 0.10 -0.04 3.93 3.98 2rl7B1 TYR 47 H 0.31 0.76 0.39 -0.55 8.29 9.19 2rl7B1 TYR 47 HA 0.16 0.36 1.13 -0.75 4.56 5.46 2rl7B1 TYR 47 HB2 0.38 0.00 0.15 -0.04 3.06 3.56 2rl7B1 TYR 47 HB3 0.22 0.01 -0.05 -0.04 2.98 3.12 2rl7B1 TYR 47 HD2 0.24 0.11 -0.10 -0.04 7.15 7.36 2rl7B1 TYR 47 HE2 0.25 -0.01 -0.12 -0.04 6.85 6.93 2rl7B1 VAL 48 H 0.19 0.45 0.34 -0.55 8.24 8.66 2rl7B1 VAL 48 HA 0.11 0.32 1.15 -0.75 4.13 4.95 2rl7B1 VAL 48 HB 0.06 -0.10 0.13 -0.04 2.12 2.18 2rl7B1 VAL 48 HG13 0.00 0.03 -0.08 -0.04 0.97 0.88 2rl7B1 VAL 48 HG23 0.07 -0.01 -0.16 -0.04 0.95 0.80 2rl7B1 PHE 49 H -0.01 0.95 0.37 -0.55 8.34 9.09 2rl7B1 PHE 49 HA -0.04 0.18 1.10 -0.75 4.62 5.11 2rl7B1 PHE 49 HB2 -0.24 -0.08 -0.14 -0.04 3.15 2.65 2rl7B1 PHE 49 HB3 -0.85 -0.02 -0.03 -0.04 3.06 2.12 2rl7B1 PHE 49 HD2 -0.36 0.02 -0.09 -0.04 7.28 6.80 2rl7B1 PHE 49 HE2 -0.24 -0.01 -0.21 -0.04 7.38 6.87 2rl7B1 PHE 49 HZ -0.11 -0.02 -0.22 -0.04 7.32 6.92 2rl7B1 ARG 50 H -0.22 0.64 0.31 -0.55 8.46 8.64 2rl7B1 ARG 50 HA -0.47 0.18 0.72 -0.75 4.34 4.03 2rl7B1 ARG 50 HB2 -0.22 0.08 -0.17 -0.04 1.90 1.55 2rl7B1 ARG 50 HB3 -0.26 0.10 -0.08 -0.04 1.80 1.52 2rl7B1 ARG 50 HG2 -0.19 0.11 0.05 -0.04 1.67 1.59 2rl7B1 ARG 50 HG3 -0.13 -0.17 -0.41 -0.04 1.67 0.91 2rl7B1 ARG 50 HD2 -0.13 -0.12 -0.08 -0.04 3.22 2.85 2rl7B1 ARG 50 HD3 -0.13 0.20 -0.18 -0.04 3.22 3.07 2rl7B1 VAL 51 H -0.24 0.39 0.04 -0.55 8.24 7.88 2rl7B1 VAL 51 HA -0.00 0.04 0.73 -0.75 4.13 4.15 2rl7B1 VAL 51 HB 0.20 0.08 -0.10 -0.04 2.12 2.26 2rl7B1 VAL 51 HG13 0.25 -0.00 -0.15 -0.04 0.97 1.02 2rl7B1 VAL 51 HG23 -0.03 0.00 -0.14 -0.04 0.95 0.73 2rl7B1 CYS 52 H -0.02 0.14 0.11 -0.55 8.50 8.19 2rl7B1 CYS 52 HA -0.49 -0.04 0.23 -0.75 4.58 3.52 2rl7B1 CYS 52 HB2 -1.53 0.26 -0.00 -0.04 2.97 1.65 2rl7B1 CYS 52 HB3 -0.64 -0.21 0.27 -0.04 2.97 2.35 2rl7B1 ARG 53 H -0.70 0.18 -0.43 -0.55 8.46 6.96 2rl7B1 ARG 53 HA -0.81 0.19 0.62 -0.75 4.34 3.60 2rl7B1 ARG 53 HB2 -0.30 0.03 -0.15 -0.04 1.90 1.43 2rl7B1 ARG 53 HB3 -0.25 -0.06 0.02 -0.04 1.80 1.47 2rl7B1 ARG 53 HG2 -0.40 0.04 -0.48 -0.04 1.67 0.79 2rl7B1 ARG 53 HG3 -0.17 0.07 -0.09 -0.04 1.67 1.44 2rl7B1 ARG 53 HD2 -0.17 -0.13 0.02 -0.04 3.22 2.91 2rl7B1 ARG 53 HD3 -0.37 0.13 0.31 -0.04 3.22 3.25 2rl7B1 GLU 54 H -0.18 0.14 0.06 -0.55 8.60 8.08 2rl7B1 GLU 54 HA 0.21 0.10 0.40 -0.75 4.29 4.24 2rl7B1 GLU 54 HB2 0.14 -0.02 0.08 -0.04 2.09 2.25 2rl7B1 GLU 54 HB3 0.01 0.09 0.11 -0.04 1.99 2.15 2rl7B1 GLU 54 HG2 0.04 0.01 -0.02 -0.04 2.34 2.33 2rl7B1 GLU 54 HG3 0.03 0.20 -0.26 -0.04 2.34 2.27 2rl7B1 ALA 55 H 0.04 0.35 0.23 -0.55 8.40 8.47 2rl7B1 ALA 55 HA -0.04 0.26 0.73 -0.75 4.34 4.54 2rl7B1 ALA 55 HB3 0.01 -0.02 -0.29 -0.04 1.41 1.06 2rl7B1 GLY 56 H 0.04 -0.08 0.04 -0.55 8.43 7.88 2rl7B1 GLY 56 HA2 0.05 0.24 0.63 -0.51 4.01 4.42 2rl7B1 GLY 56 HA3 0.05 -0.12 0.27 -0.51 4.01 3.70 2rl7B1 GLN 57 H 0.18 0.16 0.08 -0.55 8.47 8.35 2rl7B1 GLN 57 HA 0.03 0.28 0.86 -0.75 4.36 4.77 2rl7B1 GLN 57 HB2 0.11 0.00 0.06 -0.04 2.15 2.28 2rl7B1 GLN 57 HB3 -0.02 0.05 0.17 -0.04 2.02 2.18 2rl7B1 GLN 57 HG2 0.02 0.10 -0.15 -0.04 2.40 2.32 2rl7B1 GLN 57 HG3 0.05 -0.04 -0.18 -0.04 2.39 2.18 2rl7B1 GLN 57 HE21 0.02 0.01 -0.04 -0.04 6.97 6.92 2rl7B1 GLN 57 HE22 0.04 -0.01 -0.06 -0.04 7.69 7.61 2rl7B1 HIS 58 H 0.19 -0.05 -0.19 -0.55 8.41 7.81 2rl7B1 HIS 58 HA -0.01 0.32 0.82 -0.75 4.63 5.00 2rl7B1 HIS 58 HB2 -0.01 -0.11 0.02 -0.04 3.26 3.12 2rl7B1 HIS 58 HB3 -0.01 0.09 0.14 -0.04 3.20 3.38 2rl7B1 HIS 58 HD2 -0.00 0.03 0.02 -0.04 6.97 6.97 2rl7B1 HIS 58 HE1 -0.00 0.07 -0.02 -0.04 7.75 7.75 2rl7B1 SER 59 H 0.04 0.16 -0.28 -0.55 8.46 7.83 2rl7B1 SER 59 HA 0.03 -0.01 0.26 -0.75 4.49 4.01 2rl7B1 SER 59 HB2 0.00 0.03 0.14 -0.04 3.95 4.07 2rl7B1 SER 59 HB3 0.00 0.04 -0.03 -0.04 3.93 3.90 2rl7B1 SER 60 H 0.04 -0.12 -0.35 -0.55 8.46 7.47 2rl7B1 SER 60 HA -0.02 0.33 0.77 -0.75 4.49 4.82 2rl7B1 SER 60 HB2 -0.03 0.02 0.09 -0.04 3.95 3.99 2rl7B1 SER 60 HB3 0.01 0.15 0.00 -0.04 3.93 4.04 2rl7B1 GLY 61 H -0.01 0.05 -0.32 -0.55 8.43 7.61 2rl7B1 GLY 61 HA2 -0.13 0.07 0.18 -0.51 4.01 3.62 2rl7B1 GLY 61 HA3 -0.29 0.15 0.34 -0.51 4.01 3.70 2rl7B1 ALA 62 H 0.01 -0.13 -0.26 -0.55 8.40 7.48 2rl7B1 ALA 62 HA -0.05 0.21 0.55 -0.75 4.34 4.30 2rl7B1 ALA 62 HB3 0.01 -0.02 -0.04 -0.04 1.41 1.32 2rl7B1 GLY 63 H -0.05 0.65 0.48 -0.55 8.43 8.97 2rl7B1 GLY 63 HA2 -0.04 0.30 0.73 -0.51 4.01 4.49 2rl7B1 GLY 63 HA3 -0.65 -0.01 0.22 -0.51 4.01 3.06 2rl7B1 LEU 64 H 0.10 0.26 0.16 -0.55 8.37 8.34 2rl7B1 LEU 64 HA 0.17 0.40 0.75 -0.75 4.35 4.92 2rl7B1 LEU 64 HB2 0.36 0.08 -0.24 -0.04 1.64 1.81 2rl7B1 LEU 64 HB3 0.11 -0.14 -0.02 -0.04 1.64 1.55 2rl7B1 LEU 64 HG 0.04 0.10 -0.13 -0.04 1.64 1.61 2rl7B1 LEU 64 HD13 -0.80 -0.01 -0.19 -0.04 0.93 -0.11 2rl7B1 LEU 64 HD23 -0.05 -0.00 -0.30 -0.04 0.89 0.50 2rl7B1 VAL 65 H 0.11 0.66 0.30 -0.55 8.24 8.76 2rl7B1 VAL 65 HA 0.04 0.10 1.25 -0.75 4.13 4.77 2rl7B1 VAL 65 HB 0.02 0.02 -0.02 -0.04 2.12 2.10 2rl7B1 VAL 65 HG13 0.03 -0.05 -0.30 -0.04 0.97 0.61 2rl7B1 VAL 65 HG23 0.06 0.04 -0.10 -0.04 0.95 0.90 2rl7B1 GLN 66 H 0.03 0.74 0.38 -0.55 8.47 9.07 2rl7B1 GLN 66 HA -0.12 0.21 0.92 -0.75 4.36 4.62 2rl7B1 GLN 66 HB2 0.22 -0.00 -0.02 -0.04 2.15 2.30 2rl7B1 GLN 66 HB3 0.07 -0.03 0.18 -0.04 2.02 2.19 2rl7B1 GLN 66 HG2 0.10 -0.03 -0.32 -0.04 2.40 2.11 2rl7B1 GLN 66 HG3 -0.45 0.00 -0.11 -0.04 2.39 1.80 2rl7B1 GLN 66 HE21 0.20 0.12 0.03 -0.04 6.97 7.29 2rl7B1 GLN 66 HE22 0.15 -0.05 -0.03 -0.04 7.69 7.71 2rl7B1 ILE 67 H -0.06 0.91 0.33 -0.55 8.25 8.88 2rl7B1 ILE 67 HA 0.01 0.28 0.98 -0.75 4.18 4.70 2rl7B1 ILE 67 HB 0.01 -0.01 0.19 -0.04 1.89 2.03 2rl7B1 ILE 67 HG12 0.02 -0.03 -0.15 -0.04 1.49 1.29 2rl7B1 ILE 67 HG13 0.03 -0.03 -0.21 -0.04 1.21 0.96 2rl7B1 ILE 67 HG23 0.00 0.01 -0.30 -0.04 0.93 0.60 2rl7B1 ILE 67 HD13 0.04 0.01 -0.09 -0.04 0.88 0.79 2rl7B1 GLN 68 H 0.00 0.69 0.21 -0.55 8.47 8.83 2rl7B1 GLN 68 HA -0.38 0.13 0.69 -0.75 4.36 4.05 2rl7B1 GLN 68 HB2 0.08 0.03 0.02 -0.04 2.15 2.24 2rl7B1 GLN 68 HB3 -0.05 -0.05 0.19 -0.04 2.02 2.07 2rl7B1 GLN 68 HG2 -0.29 -0.15 -0.50 -0.04 2.40 1.42 2rl7B1 GLN 68 HG3 -0.89 0.08 -0.16 -0.04 2.39 1.38 2rl7B1 GLN 68 HE21 0.10 0.03 -0.05 -0.04 6.97 7.01 2rl7B1 GLN 68 HE22 0.27 0.01 -0.06 -0.04 7.69 7.87 2rl7B1 LYS 69 H -0.32 0.80 0.38 -0.55 8.42 8.73 2rl7B1 LYS 69 HA -0.09 -0.01 0.61 -0.75 4.32 4.08 2rl7B1 LYS 69 HB2 -0.07 -0.02 0.03 -0.04 1.87 1.77 2rl7B1 LYS 69 HB3 -0.12 0.13 0.29 -0.04 1.79 2.06 2rl7B1 LYS 69 HG2 -0.03 -0.01 0.05 -0.04 1.46 1.42 2rl7B1 LYS 69 HG3 -0.06 0.01 0.07 -0.04 1.46 1.45 2rl7B1 LYS 69 HD2 -0.02 0.01 -0.02 -0.04 1.69 1.62 2rl7B1 LYS 69 HD3 -0.02 0.01 -0.01 -0.04 1.68 1.61 2rl7B1 LYS 69 HE2 -0.04 -0.05 0.07 -0.04 2.99 2.92 2rl7B1 LYS 69 HE3 -0.02 0.03 -0.04 -0.04 2.99 2.92 2rl7B1 SER 70 H -0.11 -0.21 0.13 -0.55 8.46 7.73 2rl7B1 SER 70 HA -0.06 0.09 -0.20 -0.75 4.49 3.57 2rl7B1 SER 70 HB2 -0.09 -0.07 0.06 -0.04 3.95 3.81 2rl7B1 SER 70 HB3 -0.04 -0.00 0.05 -0.04 3.93 3.90 2rl7B1 ASN 71 H -0.06 -0.28 0.42 -0.55 8.53 8.06 2rl7B1 ASN 71 HA -0.01 0.25 0.85 -0.75 4.76 5.08 2rl7B1 ASN 71 HB2 -0.00 0.04 0.08 -0.04 2.88 2.96 2rl7B1 ASN 71 HB3 -0.01 0.11 -0.04 -0.04 2.79 2.80 2rl7B1 ASN 71 HD21 -0.00 0.01 -0.03 -0.04 7.03 6.97 2rl7B1 ASN 71 HD22 -0.00 0.07 -0.05 -0.04 7.74 7.72 2rl7B1 GLY 72 H -0.04 0.06 0.43 -0.55 8.43 8.33 2rl7B1 GLY 72 HA2 -0.01 0.03 0.28 -0.51 4.01 3.79 2rl7B1 GLY 72 HA3 0.00 0.13 0.52 -0.51 4.01 4.15 2rl7B1 LYS 73 H -0.02 -0.05 -0.14 -0.55 8.42 7.65 2rl7B1 LYS 73 HA -0.00 0.12 0.46 -0.75 4.32 4.14 2rl7B1 LYS 73 HB2 -0.00 0.03 0.02 -0.04 1.87 1.88 2rl7B1 LYS 73 HB3 0.00 -0.09 0.09 -0.04 1.79 1.75 2rl7B1 LYS 73 HG2 -0.02 0.07 -0.30 -0.04 1.46 1.18 2rl7B1 LYS 73 HG3 -0.02 0.03 0.03 -0.04 1.46 1.45 2rl7B1 LYS 73 HD2 0.01 0.00 -0.02 -0.04 1.69 1.64 2rl7B1 LYS 73 HD3 0.02 -0.05 -0.07 -0.04 1.68 1.54 2rl7B1 LYS 73 HE2 -0.00 0.02 -0.01 -0.04 2.99 2.95 2rl7B1 LYS 73 HE3 0.02 -0.01 -0.03 -0.04 2.99 2.93 2rl7B1 GLU 74 H -0.11 0.17 0.22 -0.55 8.60 8.33 2rl7B1 GLU 74 HA -0.03 0.24 0.94 -0.75 4.29 4.69 2rl7B1 GLU 74 HB2 -0.37 -0.00 0.14 -0.04 2.09 1.82 2rl7B1 GLU 74 HB3 -0.12 -0.06 -0.10 -0.04 1.99 1.67 2rl7B1 GLU 74 HG2 0.01 0.06 -0.09 -0.04 2.34 2.28 2rl7B1 GLU 74 HG3 0.05 0.13 -0.01 -0.04 2.34 2.47 2rl7B1 THR 75 H -0.01 0.74 0.37 -0.55 8.28 8.83 2rl7B1 THR 75 HA -0.04 0.17 0.90 -0.75 4.39 4.66 2rl7B1 THR 75 HB 0.03 -0.02 0.17 -0.04 4.32 4.46 2rl7B1 THR 75 HG23 -0.02 0.01 -0.17 -0.04 1.22 0.99 2rl7B1 VAL 76 H -0.06 0.20 0.13 -0.55 8.24 7.96 2rl7B1 VAL 76 HA -0.03 0.08 0.73 -0.75 4.13 4.16 2rl7B1 VAL 76 HB -0.06 -0.03 0.14 -0.04 2.12 2.13 2rl7B1 VAL 76 HG13 -0.04 0.01 -0.21 -0.04 0.97 0.68 2rl7B1 VAL 76 HG23 -0.05 0.01 -0.04 -0.04 0.95 0.83 2rl7B1 VAL 77 H -0.04 0.50 0.38 -0.55 8.24 8.53 2rl7B1 VAL 77 HA -0.29 0.08 0.50 -0.75 4.13 3.67 2rl7B1 VAL 77 HB -0.07 0.06 -0.08 -0.04 2.12 1.98 2rl7B1 VAL 77 HG13 -0.50 -0.02 -0.25 -0.04 0.97 0.17 2rl7B1 VAL 77 HG23 -0.17 -0.01 -0.15 -0.04 0.95 0.59 2rl7B1 GLY 78 H 0.01 0.30 0.12 -0.55 8.43 8.31 2rl7B1 GLY 78 HA2 0.02 0.19 0.05 -0.51 4.01 3.76 2rl7B1 GLY 78 HA3 0.14 0.08 0.11 -0.51 4.01 3.83 2rl7B1 ARG 79 H -0.00 0.83 0.03 -0.55 8.46 8.77 2rl7B1 ARG 79 HA -0.16 -0.06 1.06 -0.75 4.34 4.43 2rl7B1 ARG 79 HB2 -0.12 0.08 0.10 -0.04 1.90 1.92 2rl7B1 ARG 79 HB3 -0.28 0.03 0.07 -0.04 1.80 1.59 2rl7B1 ARG 79 HG2 -0.11 -0.11 -0.29 -0.04 1.67 1.12 2rl7B1 ARG 79 HG3 -0.08 0.05 -0.26 -0.04 1.67 1.34 2rl7B1 ARG 79 HD2 -0.10 -0.02 0.01 -0.04 3.22 3.07 2rl7B1 ARG 79 HD3 -0.14 0.05 -0.01 -0.04 3.22 3.08 2rl7B1 PHE 80 H -0.38 0.37 0.06 -0.55 8.34 7.84 2rl7B1 PHE 80 HA -0.48 0.14 0.47 -0.75 4.62 3.99 2rl7B1 PHE 80 HB2 -0.27 -0.05 0.07 -0.04 3.15 2.85 2rl7B1 PHE 80 HB3 -0.91 0.01 0.00 -0.04 3.06 2.12 2rl7B1 PHE 80 HD2 -0.24 -0.03 -0.66 -0.04 7.28 6.31 2rl7B1 PHE 80 HE2 -0.13 -0.01 -0.56 -0.04 7.38 6.64 2rl7B1 PHE 80 HZ -0.11 -0.04 -0.21 -0.04 7.32 6.92 2rl7B1 ASN 81 H -0.40 0.13 -0.43 -0.55 8.53 7.28 2rl7B1 ASN 81 HA -0.12 0.10 0.75 -0.75 4.76 4.74 2rl7B1 ASN 81 HB2 -0.16 0.03 0.13 -0.04 2.88 2.84 2rl7B1 ASN 81 HB3 -0.42 -0.01 0.02 -0.04 2.79 2.33 2rl7B1 ASN 81 HD21 -0.11 0.00 -0.05 -0.04 7.03 6.84 2rl7B1 ASN 81 HD22 -0.12 0.00 -0.00 -0.04 7.74 7.58 2rl7B1 GLU 82 H -0.04 0.21 -0.47 -0.55 8.60 7.76 2rl7B1 GLU 82 HA 0.02 0.17 0.64 -0.75 4.29 4.37 2rl7B1 GLU 82 HB2 0.02 0.08 0.11 -0.04 2.09 2.25 2rl7B1 GLU 82 HB3 0.04 -0.08 0.11 -0.04 1.99 2.02 2rl7B1 GLU 82 HG2 -0.01 0.10 -0.05 -0.04 2.34 2.34 2rl7B1 GLU 82 HG3 -0.05 -0.07 -0.42 -0.04 2.34 1.76 2rl7B1 THR 83 H 0.08 0.86 0.08 -0.55 8.28 8.75 2rl7B1 THR 83 HA 0.23 0.33 1.10 -0.75 4.39 5.30 2rl7B1 THR 83 HB 0.13 -0.04 -0.14 -0.04 4.32 4.23 2rl7B1 THR 83 HG23 0.17 -0.00 -0.14 -0.04 1.22 1.21 2rl7B1 GLN 84 H 0.09 0.65 0.43 -0.55 8.47 9.09 2rl7B1 GLN 84 HA -0.08 0.15 0.87 -0.75 4.36 4.55 2rl7B1 GLN 84 HB2 0.13 -0.02 0.07 -0.04 2.15 2.29 2rl7B1 GLN 84 HB3 0.06 0.00 -0.04 -0.04 2.02 2.00 2rl7B1 GLN 84 HG2 0.03 0.08 0.06 -0.04 2.40 2.52 2rl7B1 GLN 84 HG3 0.09 -0.02 -0.20 -0.04 2.39 2.22 2rl7B1 GLN 84 HE21 0.28 -0.02 -0.04 -0.04 6.97 7.14 2rl7B1 GLN 84 HE22 0.18 0.04 -0.02 -0.04 7.69 7.85 2rl7B1 ILE 85 H -0.45 0.25 0.17 -0.55 8.25 7.67 2rl7B1 ILE 85 HA -0.06 0.35 0.96 -0.75 4.18 4.68 2rl7B1 ILE 85 HB -0.02 0.01 -0.15 -0.04 1.89 1.69 2rl7B1 ILE 85 HG12 -0.01 -0.04 -0.30 -0.04 1.49 1.10 2rl7B1 ILE 85 HG13 0.04 0.10 -0.05 -0.04 1.21 1.25 2rl7B1 ILE 85 HG23 -0.09 -0.02 -0.03 -0.04 0.93 0.75 2rl7B1 ILE 85 HD13 0.05 -0.01 -0.22 -0.04 0.88 0.65 2rl7B1 PHE 86 H 0.19 0.62 0.34 -0.55 8.34 8.93 2rl7B1 PHE 86 HA 0.05 0.16 0.97 -0.75 4.62 5.06 2rl7B1 PHE 86 HB2 0.23 -0.05 0.02 -0.04 3.15 3.31 2rl7B1 PHE 86 HB3 0.12 0.06 0.01 -0.04 3.06 3.21 2rl7B1 PHE 86 HD2 0.09 0.02 -0.07 -0.04 7.28 7.28 2rl7B1 PHE 86 HE2 0.06 -0.00 -0.09 -0.04 7.38 7.31 2rl7B1 PHE 86 HZ 0.06 0.01 -0.06 -0.04 7.32 7.28 2rl7B1 GLN 87 H 0.09 0.16 0.18 -0.55 8.47 8.36 2rl7B1 GLN 87 HA -0.08 0.17 0.92 -0.75 4.36 4.61 2rl7B1 GLN 87 HB2 -0.04 0.01 0.06 -0.04 2.15 2.13 2rl7B1 GLN 87 HB3 -0.05 -0.06 0.15 -0.04 2.02 2.01 2rl7B1 GLN 87 HG2 -0.09 -0.04 -0.03 -0.04 2.40 2.20 2rl7B1 GLN 87 HG3 -0.20 0.08 -0.19 -0.04 2.39 2.05 2rl7B1 GLN 87 HE21 -0.12 0.04 -0.07 -0.04 6.97 6.78 2rl7B1 GLN 87 HE22 -0.31 0.33 0.22 -0.04 7.69 7.89 2rl7B1 GLY 88 H -0.68 0.87 0.41 -0.55 8.43 8.48 2rl7B1 GLY 88 HA2 -0.99 0.19 0.89 -0.51 4.01 3.59 2rl7B1 GLY 88 HA3 -3.58 -0.07 0.31 -0.51 4.01 0.16 2rl7B1 SER 89 H -0.65 0.13 0.15 -0.55 8.46 7.54 2rl7B1 SER 89 HA -0.23 0.12 0.41 -0.75 4.49 4.04 2rl7B1 SER 89 HB2 -0.05 0.04 0.09 -0.04 3.95 3.98 2rl7B1 SER 89 HB3 -0.08 0.01 0.14 -0.04 3.93 3.96 2rl7B1 ASN 90 H -0.62 -0.02 -0.15 -0.55 8.53 7.19 2rl7B1 ASN 90 HA -0.05 0.17 0.64 -0.75 4.76 4.77 2rl7B1 ASN 90 HB2 0.05 0.03 -0.23 -0.04 2.88 2.69 2rl7B1 ASN 90 HB3 0.20 -0.03 0.03 -0.04 2.79 2.96 2rl7B1 ASN 90 HD21 0.07 0.07 0.09 -0.04 7.03 7.22 2rl7B1 ASN 90 HD22 0.13 -0.03 0.11 -0.04 7.74 7.92 2rl7B1 TRP 91 H -0.56 0.21 -0.04 -0.55 7.97 7.03 2rl7B1 TRP 91 HA 0.02 0.27 0.76 -0.75 4.62 4.91 2rl7B1 TRP 91 HB2 0.02 0.06 -0.07 -0.04 3.23 3.20 2rl7B1 TRP 91 HB3 0.01 0.07 -0.13 -0.04 3.23 3.14 2rl7B1 TRP 91 HD1 0.01 0.09 -0.23 -0.04 7.22 7.04 2rl7B1 TRP 91 HE1 0.01 0.05 -0.02 -0.04 10.20 10.20 2rl7B1 TRP 91 HE3 0.05 0.06 -0.60 -0.04 7.59 7.06 2rl7B1 TRP 91 HZ2 0.00 0.03 -0.01 -0.04 7.44 7.42 2rl7B1 TRP 91 HZ3 0.08 0.02 -0.24 -0.04 7.13 6.96 2rl7B1 TRP 91 HH2 0.00 0.05 -0.11 -0.04 7.19 7.09 2rl7B1 ILE 92 H 0.34 0.65 0.35 -0.55 8.25 9.03 2rl7B1 ILE 92 HA 0.20 0.20 1.03 -0.75 4.18 4.86 2rl7B1 ILE 92 HB 0.12 -0.03 0.10 -0.04 1.89 2.05 2rl7B1 ILE 92 HG12 0.03 -0.01 0.05 -0.04 1.49 1.51 2rl7B1 ILE 92 HG13 0.04 -0.00 -0.27 -0.04 1.21 0.93 2rl7B1 ILE 92 HG23 0.11 -0.00 -0.26 -0.04 0.93 0.73 2rl7B1 ILE 92 HD13 0.03 0.01 -0.16 -0.04 0.88 0.73 2rl7B1 MET 93 H 0.42 0.67 0.29 -0.55 8.47 9.30 2rl7B1 MET 93 HA 0.17 0.27 1.13 -0.75 4.52 5.33 2rl7B1 MET 93 HB2 0.22 -0.03 -0.04 -0.04 2.15 2.26 2rl7B1 MET 93 HB3 0.46 -0.06 0.13 -0.04 2.03 2.52 2rl7B1 MET 93 HG2 0.20 0.00 -0.42 -0.04 2.63 2.37 2rl7B1 MET 93 HG3 0.07 0.03 -0.13 -0.04 2.56 2.49 2rl7B1 MET 93 HE3 -0.11 -0.00 -0.10 -0.04 2.10 1.84 2rl7B1 LEU 94 H 0.04 0.68 0.33 -0.55 8.37 8.86 2rl7B1 LEU 94 HA 0.02 0.19 1.02 -0.75 4.35 4.83 2rl7B1 LEU 94 HB2 0.03 0.00 -0.02 -0.04 1.64 1.61 2rl7B1 LEU 94 HB3 -0.07 -0.02 0.13 -0.04 1.64 1.63 2rl7B1 LEU 94 HG -0.47 -0.02 -0.30 -0.04 1.64 0.81 2rl7B1 LEU 94 HD13 0.00 0.02 0.01 -0.04 0.93 0.93 2rl7B1 LEU 94 HD23 0.11 -0.01 -0.10 -0.04 0.89 0.85 2rl7B1 ILE 95 H -0.01 0.75 0.41 -0.55 8.25 8.86 2rl7B1 ILE 95 HA -0.02 0.38 1.21 -0.75 4.18 4.98 2rl7B1 ILE 95 HB 0.13 -0.07 0.12 -0.04 1.89 2.03 2rl7B1 ILE 95 HG12 0.12 0.03 -0.16 -0.04 1.49 1.44 2rl7B1 ILE 95 HG13 0.17 -0.06 -0.50 -0.04 1.21 0.78 2rl7B1 ILE 95 HG23 0.13 0.00 -0.18 -0.04 0.93 0.85 2rl7B1 ILE 95 HD13 0.28 -0.02 -0.14 -0.04 0.88 0.97 2rl7B1 TYR 96 H 0.09 0.66 0.34 -0.55 8.29 8.82 2rl7B1 TYR 96 HA 0.08 0.26 0.91 -0.75 4.56 5.06 2rl7B1 TYR 96 HB2 0.07 -0.09 0.04 -0.04 3.06 3.04 2rl7B1 TYR 96 HB3 0.07 -0.06 -0.31 -0.04 2.98 2.64 2rl7B1 TYR 96 HD2 0.13 0.05 -0.18 -0.04 7.15 7.11 2rl7B1 TYR 96 HE2 0.22 0.17 -0.02 -0.04 6.85 7.19 2rl7B1 LYS 97 H 0.15 0.65 0.32 -0.55 8.42 8.98 2rl7B1 LYS 97 HA 0.09 0.17 1.06 -0.75 4.32 4.89 2rl7B1 LYS 97 HB2 0.07 0.05 0.12 -0.04 1.87 2.07 2rl7B1 LYS 97 HB3 0.07 -0.09 0.21 -0.04 1.79 1.94 2rl7B1 LYS 97 HG2 0.11 -0.02 -0.12 -0.04 1.46 1.40 2rl7B1 LYS 97 HG3 0.12 0.10 -0.08 -0.04 1.46 1.56 2rl7B1 LYS 97 HD2 0.08 -0.01 -0.00 -0.04 1.69 1.72 2rl7B1 LYS 97 HD3 0.10 -0.02 -0.06 -0.04 1.68 1.66 2rl7B1 LYS 97 HE2 0.07 0.02 -0.08 -0.04 2.99 2.97 2rl7B1 LYS 97 HE3 0.06 0.00 0.00 -0.04 2.99 3.01 2rl7B1 GLY 98 H 0.03 0.16 0.19 -0.55 8.43 8.28 2rl7B1 GLY 98 HA2 -0.00 0.03 0.35 -0.51 4.01 3.88 2rl7B1 GLY 98 HA3 -0.01 0.02 0.43 -0.51 4.01 3.93 2rl7B1 GLY 99 H -0.02 0.66 -0.10 -0.55 8.43 8.43 2rl7B1 GLY 99 HA2 -0.05 -0.04 0.18 -0.51 4.01 3.58 2rl7B1 GLY 99 HA3 -0.08 0.17 -0.21 -0.51 4.01 3.38 2rl7B1 ASP 100 H -0.10 0.64 0.24 -0.55 8.40 8.64 2rl7B1 ASP 100 HA -0.06 0.06 0.48 -0.75 4.63 4.37 2rl7B1 ASP 100 HB2 -0.08 -0.01 0.10 -0.04 2.71 2.68 2rl7B1 ASP 100 HB3 -0.05 0.09 0.08 -0.04 2.70 2.78 2rl7B1 GLU 101 H -0.03 0.06 0.15 -0.55 8.60 8.23 2rl7B1 GLU 101 HA -0.05 0.18 0.39 -0.75 4.29 4.05 2rl7B1 GLU 101 HB2 0.00 -0.15 0.07 -0.04 2.09 1.98 2rl7B1 GLU 101 HB3 0.03 0.24 -0.11 -0.04 1.99 2.12 2rl7B1 GLU 101 HG2 0.02 0.15 -0.14 -0.04 2.34 2.33 2rl7B1 GLU 101 HG3 -0.00 -0.11 0.02 -0.04 2.34 2.21 2rl7B1 TYR 102 H 0.09 0.60 0.12 -0.55 8.29 8.56 2rl7B1 TYR 102 HA 0.04 0.00 0.55 -0.75 4.56 4.40 2rl7B1 TYR 102 HB2 -0.01 0.17 -0.11 -0.04 3.06 3.06 2rl7B1 TYR 102 HB3 -0.04 -0.27 0.02 -0.04 2.98 2.65 2rl7B1 TYR 102 HD2 0.05 0.01 -0.11 -0.04 7.15 7.06 2rl7B1 TYR 102 HE2 0.16 0.01 -0.11 -0.04 6.85 6.87 2rl7B1 ASP 103 H 0.13 0.05 0.02 -0.55 8.40 8.05 2rl7B1 ASP 103 HA 0.06 0.21 0.60 -0.75 4.63 4.75 2rl7B1 ASP 103 HB2 0.06 -0.04 -0.05 -0.04 2.71 2.64 2rl7B1 ASP 103 HB3 0.04 -0.03 0.17 -0.04 2.70 2.84 2rl7B1 ASN 104 H 0.06 0.06 -0.03 -0.55 8.53 8.07 2rl7B1 ASN 104 HA 0.05 0.27 0.69 -0.75 4.76 5.01 2rl7B1 ASN 104 HB2 0.13 -0.08 0.23 -0.04 2.88 3.12 2rl7B1 ASN 104 HB3 0.08 0.11 0.03 -0.04 2.79 2.97 2rl7B1 ASN 104 HD21 0.10 0.03 -0.00 -0.04 7.03 7.12 2rl7B1 ASN 104 HD22 0.13 0.06 0.01 -0.04 7.74 7.90 2rl7B1 HIS 105 H 0.16 0.16 0.13 -0.55 8.41 8.32 2rl7B1 HIS 105 HA -0.02 0.12 0.37 -0.75 4.63 4.35 2rl7B1 HIS 105 HB2 -0.03 0.06 0.09 -0.04 3.26 3.34 2rl7B1 HIS 105 HB3 -0.02 0.00 0.13 -0.04 3.20 3.27 2rl7B1 HIS 105 HD2 -0.02 -0.03 0.06 -0.04 6.97 6.94 2rl7B1 HIS 105 HE1 -0.10 0.13 -0.08 -0.04 7.75 7.66 2rl7B1 CYS 106 H -0.60 -0.06 -0.37 -0.55 8.50 6.93 2rl7B1 CYS 106 HA -0.34 0.14 0.43 -0.75 4.58 4.05 2rl7B1 CYS 106 HB2 -0.68 -0.02 -0.06 -0.04 2.97 2.17 2rl7B1 CYS 106 HB3 -0.77 0.07 0.04 -0.04 2.97 2.28 2rl7B1 GLY 107 H -0.08 0.39 -0.41 -0.55 8.43 7.77 2rl7B1 GLY 107 HA2 -0.00 0.06 0.22 -0.51 4.01 3.77 2rl7B1 GLY 107 HA3 -0.00 0.14 0.81 -0.51 4.01 4.45 2rl7B1 ARG 108 H 0.04 0.11 0.10 -0.55 8.46 8.15 2rl7B1 ARG 108 HA 0.08 0.74 1.00 -0.75 4.34 5.41 2rl7B1 ARG 108 HB2 0.03 -0.04 0.08 -0.04 1.90 1.93 2rl7B1 ARG 108 HB3 0.04 0.01 0.19 -0.04 1.80 1.99 2rl7B1 ARG 108 HG2 0.04 0.07 -0.17 -0.04 1.67 1.57 2rl7B1 ARG 108 HG3 0.03 -0.08 -0.10 -0.04 1.67 1.48 2rl7B1 ARG 108 HD2 0.02 -0.01 -0.04 -0.04 3.22 3.16 2rl7B1 ARG 108 HD3 0.02 -0.02 0.00 -0.04 3.22 3.19 2rl7B1 GLU 109 H 0.12 0.05 -0.21 -0.55 8.60 8.01 2rl7B1 GLU 109 HA 0.06 0.04 0.45 -0.75 4.29 4.09 2rl7B1 GLU 109 HB2 0.10 0.04 0.08 -0.04 2.09 2.27 2rl7B1 GLU 109 HB3 0.08 -0.04 0.09 -0.04 1.99 2.08 2rl7B1 GLU 109 HG2 0.25 -0.04 -0.12 -0.04 2.34 2.38 2rl7B1 GLU 109 HG3 0.34 0.06 -0.35 -0.04 2.34 2.35 2rl7B1 GLN 110 H 0.04 0.06 0.15 -0.55 8.47 8.17 2rl7B1 GLN 110 HA -0.05 0.09 0.31 -0.75 4.36 3.95 2rl7B1 GLN 110 HB2 0.01 -0.13 0.13 -0.04 2.15 2.12 2rl7B1 GLN 110 HB3 -0.02 0.17 -0.03 -0.04 2.02 2.09 2rl7B1 GLN 110 HG2 -0.02 0.08 -0.02 -0.04 2.40 2.40 2rl7B1 GLN 110 HG3 0.01 -0.06 0.03 -0.04 2.39 2.33 2rl7B1 GLN 110 HE21 -0.01 -0.04 0.01 -0.04 6.97 6.88 2rl7B1 GLN 110 HE22 -0.02 0.08 -0.04 -0.04 7.69 7.67 2rl7B1 ARG 111 H -0.20 0.57 -0.19 -0.55 8.46 8.09 2rl7B1 ARG 111 HA -0.17 0.00 0.37 -0.75 4.34 3.78 2rl7B1 ARG 111 HB2 -0.22 -0.04 0.12 -0.04 1.90 1.71 2rl7B1 ARG 111 HB3 -0.26 -0.00 0.14 -0.04 1.80 1.64 2rl7B1 ARG 111 HG2 -0.97 -0.10 -0.03 -0.04 1.67 0.53 2rl7B1 ARG 111 HG3 -0.68 0.27 -0.02 -0.04 1.67 1.20 2rl7B1 ARG 111 HD2 -0.22 0.04 -0.09 -0.04 3.22 2.91 2rl7B1 ARG 111 HD3 -0.45 -0.09 -0.06 -0.04 3.22 2.58 2rl7B1 ARG 112 H 0.13 0.18 0.26 -0.55 8.46 8.48 2rl7B1 ARG 112 HA 0.08 0.14 0.89 -0.75 4.34 4.69 2rl7B1 ARG 112 HB2 0.19 -0.07 0.02 -0.04 1.90 2.00 2rl7B1 ARG 112 HB3 0.14 0.03 0.06 -0.04 1.80 1.99 2rl7B1 ARG 112 HG2 0.08 -0.03 0.00 -0.04 1.67 1.68 2rl7B1 ARG 112 HG3 0.12 0.08 -0.21 -0.04 1.67 1.63 2rl7B1 ARG 112 HD2 0.10 -0.04 -0.01 -0.04 3.22 3.24 2rl7B1 ARG 112 HD3 0.10 -0.01 -0.02 -0.04 3.22 3.25 2rl7B1 ALA 113 H 0.13 0.80 0.34 -0.55 8.40 9.13 2rl7B1 ALA 113 HA 0.14 0.17 0.98 -0.75 4.34 4.87 2rl7B1 ALA 113 HB3 0.07 -0.04 -0.13 -0.04 1.41 1.28 2rl7B1 VAL 114 H 0.07 0.48 0.23 -0.55 8.24 8.48 2rl7B1 VAL 114 HA -0.00 0.29 1.11 -0.75 4.13 4.78 2rl7B1 VAL 114 HB -0.11 0.06 0.24 -0.04 2.12 2.27 2rl7B1 VAL 114 HG13 0.03 -0.02 -0.15 -0.04 0.97 0.80 2rl7B1 VAL 114 HG23 0.18 -0.01 -0.18 -0.04 0.95 0.89 2rl7B1 VAL 115 H -0.09 0.82 0.30 -0.55 8.24 8.72 2rl7B1 VAL 115 HA -0.08 0.15 1.04 -0.75 4.13 4.49 2rl7B1 VAL 115 HB -0.27 -0.02 0.07 -0.04 2.12 1.86 2rl7B1 VAL 115 HG13 -0.24 -0.01 -0.38 -0.04 0.97 0.30 2rl7B1 VAL 115 HG23 -0.84 -0.01 -0.29 -0.04 0.95 -0.23 2rl7B1 MET 116 H -0.08 0.85 0.32 -0.55 8.47 9.02 2rl7B1 MET 116 HA -0.01 0.10 0.77 -0.75 4.52 4.62 2rl7B1 MET 116 HB2 -0.12 0.14 0.25 -0.04 2.15 2.38 2rl7B1 MET 116 HB3 -0.09 -0.05 0.16 -0.04 2.03 2.00 2rl7B1 MET 116 HG2 -0.21 -0.02 -0.05 -0.04 2.63 2.32 2rl7B1 MET 116 HG3 -0.24 -0.01 -0.03 -0.04 2.56 2.23 2rl7B1 MET 116 HE3 -0.81 -0.01 -0.15 -0.04 2.10 1.09 2rl7B1 ILE 117 H 0.11 0.79 0.36 -0.55 8.25 8.96 2rl7B1 ILE 117 HA 0.05 0.23 0.82 -0.75 4.18 4.52 2rl7B1 ILE 117 HB 0.11 -0.05 0.22 -0.04 1.89 2.12 2rl7B1 ILE 117 HG12 0.03 -0.01 -0.24 -0.04 1.49 1.23 2rl7B1 ILE 117 HG13 0.04 0.06 -0.17 -0.04 1.21 1.10 2rl7B1 ILE 117 HG23 0.06 0.00 -0.26 -0.04 0.93 0.70 2rl7B1 ILE 117 HD13 0.09 -0.01 -0.13 -0.04 0.88 0.78 2rl7B1 SER 118 H 0.07 0.63 0.38 -0.55 8.46 8.99 2rl7B1 SER 118 HA 0.20 0.09 0.80 -0.75 4.49 4.83 2rl7B1 SER 118 HB2 0.06 -0.01 0.11 -0.04 3.95 4.07 2rl7B1 SER 118 HB3 0.09 0.09 0.06 -0.04 3.93 4.12 2rl7B1 CYS 119 H 0.13 0.65 0.30 -0.55 8.50 9.03 2rl7B1 CYS 119 HA 0.06 0.15 0.35 -0.75 4.58 4.39 2rl7B1 CYS 119 HB2 0.04 0.15 -0.38 -0.04 2.97 2.74 2rl7B1 CYS 119 HB3 0.06 0.06 0.15 -0.04 2.97 3.20 2rl7B1 ASN 120 H 0.05 0.35 -0.21 -0.55 8.53 8.17 2rl7B1 ASN 120 HA 0.06 0.09 0.51 -0.75 4.76 4.66 2rl7B1 ASN 120 HB2 0.07 0.17 -0.22 -0.04 2.88 2.86 2rl7B1 ASN 120 HB3 0.07 -0.04 -0.04 -0.04 2.79 2.75 2rl7B1 ASN 120 HD21 0.10 0.01 -0.08 -0.04 7.03 7.03 2rl7B1 ASN 120 HD22 0.08 0.04 -0.08 -0.04 7.74 7.74 2rl7B1 ARG 121 H 0.06 0.20 0.05 -0.55 8.46 8.21 2rl7B1 ARG 121 HA 0.04 0.11 0.43 -0.75 4.34 4.17 2rl7B1 ARG 121 HB2 0.05 -0.01 0.07 -0.04 1.90 1.97 2rl7B1 ARG 121 HB3 0.04 0.05 0.08 -0.04 1.80 1.93 2rl7B1 ARG 121 HG2 0.02 0.08 0.05 -0.04 1.67 1.79 2rl7B1 ARG 121 HG3 0.03 -0.07 0.03 -0.04 1.67 1.62 2rl7B1 ARG 121 HD2 0.02 -0.01 0.01 -0.04 3.22 3.20 2rl7B1 ARG 121 HD3 0.02 0.02 0.01 -0.04 3.22 3.23 2rl7B1 HIS 122 H 0.15 -0.01 -0.49 -0.55 8.41 7.51 2rl7B1 HIS 122 HA 0.02 0.17 0.53 -0.75 4.63 4.60 2rl7B1 HIS 122 HB2 0.02 -0.02 0.01 -0.04 3.26 3.23 2rl7B1 HIS 122 HB3 0.03 -0.01 -0.05 -0.04 3.20 3.12 2rl7B1 HIS 122 HD2 0.02 0.01 0.04 -0.04 6.97 6.99 2rl7B1 HIS 122 HE1 0.02 -0.00 -0.02 -0.04 7.75 7.71 2rl7B1 THR 123 H 0.04 0.40 -0.24 -0.55 8.28 7.93 2rl7B1 THR 123 HA -0.11 0.22 0.86 -0.75 4.39 4.60 2rl7B1 THR 123 HB -0.00 0.06 -0.22 -0.04 4.32 4.12 2rl7B1 THR 123 HG23 0.08 -0.02 -0.29 -0.04 1.22 0.96 2rl7B1 LEU 124 H -0.01 0.21 0.13 -0.55 8.37 8.15 2rl7B1 LEU 124 HA 0.02 -0.00 0.52 -0.75 4.35 4.13 2rl7B1 LEU 124 HB2 0.00 -0.00 0.16 -0.04 1.64 1.76 2rl7B1 LEU 124 HB3 0.04 0.09 0.02 -0.04 1.64 1.74 2rl7B1 LEU 124 HG -0.00 0.00 0.03 -0.04 1.64 1.63 2rl7B1 LEU 124 HD13 0.00 0.02 -0.01 -0.04 0.93 0.89 2rl7B1 LEU 124 HD23 0.01 -0.01 0.04 -0.04 0.89 0.89 2rl7B1 ALA 125 H 0.07 0.08 -0.10 -0.55 8.40 7.90 2rl7B1 ALA 125 HA 0.11 0.41 0.61 -0.75 4.34 4.72 2rl7B1 ALA 125 HB3 0.28 0.04 -0.02 -0.04 1.41 1.66 2rl7B1 ASP 126 H 0.13 0.58 0.31 -0.55 8.40 8.88 2rl7B1 ASP 126 HA 0.26 0.09 0.47 -0.75 4.63 4.69 2rl7B1 ASP 126 HB2 0.11 0.07 -0.35 -0.04 2.71 2.49 2rl7B1 ASP 126 HB3 0.11 -0.01 -0.11 -0.04 2.70 2.65 2rl7B1 ASN 127 H 0.16 0.18 0.19 -0.55 8.53 8.52 2rl7B1 ASN 127 HA 0.12 0.08 0.33 -0.75 4.76 4.54 2rl7B1 ASN 127 HB2 0.08 0.08 0.02 -0.04 2.88 3.02 2rl7B1 ASN 127 HB3 0.06 0.04 0.15 -0.04 2.79 3.00 2rl7B1 ASN 127 HD21 0.09 0.01 -0.10 -0.04 7.03 6.99 2rl7B1 ASN 127 HD22 0.08 0.01 -0.13 -0.04 7.74 7.66 2rl7B1 PHE 128 H 0.35 -0.02 -0.14 -0.55 8.34 7.97 2rl7B1 PHE 128 HA 0.02 0.27 0.60 -0.75 4.62 4.76 2rl7B1 PHE 128 HB2 0.12 -0.02 0.02 -0.04 3.15 3.23 2rl7B1 PHE 128 HB3 0.24 -0.02 0.12 -0.04 3.06 3.35 2rl7B1 PHE 128 HD2 0.05 0.06 -0.27 -0.04 7.28 7.07 2rl7B1 PHE 128 HE2 -0.21 -0.02 -0.27 -0.04 7.38 6.84 2rl7B1 PHE 128 HZ -0.48 -0.04 -0.26 -0.04 7.32 6.49 2rl7B1 ASN 129 H -0.36 0.66 0.45 -0.55 8.53 8.73 2rl7B1 ASN 129 HA -0.25 0.14 0.83 -0.75 4.76 4.72 2rl7B1 ASN 129 HB2 -0.05 0.04 -0.33 -0.04 2.88 2.50 2rl7B1 ASN 129 HB3 -0.12 -0.06 0.02 -0.04 2.79 2.59 2rl7B1 ASN 129 HD21 -0.07 -0.05 0.01 -0.04 7.03 6.88 2rl7B1 ASN 129 HD22 -0.10 -0.09 -0.12 -0.04 7.74 7.38 2rl7B1 PRO 130 HA -0.70 0.09 0.82 -0.51 4.44 4.14 2rl7B1 PRO 130 HB2 -0.45 0.01 -0.07 -0.04 2.28 1.72 2rl7B1 PRO 130 HB3 -0.56 -0.01 0.03 -0.04 2.02 1.44 2rl7B1 PRO 130 HG2 -0.09 0.04 0.04 -0.04 2.03 1.98 2rl7B1 PRO 130 HG3 0.08 0.01 -0.04 -0.04 2.03 2.04 2rl7B1 PRO 130 HD2 -0.07 0.14 0.21 -0.04 3.68 3.92 2rl7B1 PRO 130 HD3 -0.10 0.11 0.04 -0.04 3.65 3.66 2rl7B1 VAL 131 H -0.60 0.73 0.51 -0.55 8.24 8.33 2rl7B1 VAL 131 HA -0.21 0.18 0.93 -0.75 4.13 4.28 2rl7B1 VAL 131 HB -0.29 -0.02 -0.06 -0.04 2.12 1.71 2rl7B1 VAL 131 HG13 -0.14 -0.01 -0.10 -0.04 0.97 0.68 2rl7B1 VAL 131 HG23 -0.19 0.01 -0.21 -0.04 0.95 0.52 2rl7B1 SER 132 H -0.54 0.44 0.41 -0.55 8.46 8.23 2rl7B1 SER 132 HA -0.22 0.16 0.84 -0.75 4.49 4.52 2rl7B1 SER 132 HB2 -0.14 0.05 -0.10 -0.04 3.95 3.73 2rl7B1 SER 132 HB3 -0.54 -0.13 -0.02 -0.04 3.93 3.20 2rl7B1 GLU 133 H -0.23 0.19 0.20 -0.55 8.60 8.21 2rl7B1 GLU 133 HA -0.66 0.22 0.74 -0.75 4.29 3.83 2rl7B1 GLU 133 HB2 -0.14 -0.02 -0.20 -0.04 2.09 1.69 2rl7B1 GLU 133 HB3 -0.11 0.00 0.01 -0.04 1.99 1.85 2rl7B1 GLU 133 HG2 -0.42 0.09 -0.35 -0.04 2.34 1.62 2rl7B1 GLU 133 HG3 -0.26 -0.10 -0.55 -0.04 2.34 1.39 2rl7B1 GLU 134 H -0.67 0.30 -0.09 -0.55 8.60 7.59 2rl7B1 GLU 134 HA -0.11 0.12 0.78 -0.75 4.29 4.33 2rl7B1 GLU 134 HB2 -0.16 -0.13 -0.02 -0.04 2.09 1.75 2rl7B1 GLU 134 HB3 0.10 0.05 0.15 -0.04 1.99 2.25 2rl7B1 GLU 134 HG2 0.09 0.02 0.00 -0.04 2.34 2.41 2rl7B1 GLU 134 HG3 0.16 0.03 -0.05 -0.04 2.34 2.43 2rl7B1 ARG 135 H -0.09 0.75 -0.06 -0.55 8.46 8.51 2rl7B1 ARG 135 HA -0.27 0.10 0.72 -0.75 4.34 4.14 2rl7B1 ARG 135 HB2 -0.05 0.00 -0.23 -0.04 1.90 1.59 2rl7B1 ARG 135 HB3 -0.12 -0.02 0.03 -0.04 1.80 1.65 2rl7B1 ARG 135 HG2 -0.98 0.02 -0.27 -0.04 1.67 0.40 2rl7B1 ARG 135 HG3 -0.96 0.00 -0.11 -0.04 1.67 0.57 2rl7B1 ARG 135 HD2 0.01 0.02 -0.14 -0.04 3.22 3.07 2rl7B1 ARG 135 HD3 0.03 0.00 -0.10 -0.04 3.22 3.11 2rl7B1 GLY 136 H -0.07 0.14 -0.01 -0.55 8.43 7.94 2rl7B1 GLY 136 HA2 0.09 0.05 0.30 -0.51 4.01 3.93 2rl7B1 GLY 136 HA3 0.08 0.01 0.38 -0.51 4.01 3.97 2rl7B1 LYS 137 H 0.03 0.12 0.25 -0.55 8.42 8.27 2rl7B1 LYS 137 HA -0.00 0.07 0.41 -0.75 4.32 4.04 2rl7B1 LYS 137 HB2 0.00 0.01 0.05 -0.04 1.87 1.90 2rl7B1 LYS 137 HB3 -0.00 0.02 0.09 -0.04 1.79 1.85 2rl7B1 LYS 137 HG2 0.04 -0.03 0.17 -0.04 1.46 1.60 2rl7B1 LYS 137 HG3 0.02 0.04 0.07 -0.04 1.46 1.55 2rl7B1 LYS 137 HD2 0.01 0.03 0.03 -0.04 1.69 1.72 2rl7B1 LYS 137 HD3 0.02 -0.03 -0.06 -0.04 1.68 1.57 2rl7B1 LYS 137 HE2 0.03 0.04 0.04 -0.04 2.99 3.06 2rl7B1 LYS 137 HE3 0.03 0.02 0.01 -0.04 2.99 3.00 2rl7B1 VAL 138 H -0.03 0.41 -0.06 -0.55 8.24 8.01 2rl7B1 VAL 138 HA -0.04 0.09 0.57 -0.75 4.13 3.99 2rl7B1 VAL 138 HB -0.07 -0.12 0.08 -0.04 2.12 1.97 2rl7B1 VAL 138 HG13 -0.08 0.02 -0.05 -0.04 0.97 0.82 2rl7B1 VAL 138 HG23 -0.03 0.01 0.03 -0.04 0.95 0.92 2rl7B1 GLN 139 H -0.04 0.24 0.09 -0.55 8.47 8.22 2rl7B1 GLN 139 HA 0.01 0.06 1.01 -0.75 4.36 4.69 2rl7B1 GLN 139 HB2 -0.07 0.04 0.18 -0.04 2.15 2.26 2rl7B1 GLN 139 HB3 0.19 -0.06 0.08 -0.04 2.02 2.18 2rl7B1 GLN 139 HG2 0.06 0.06 -0.36 -0.04 2.40 2.12 2rl7B1 GLN 139 HG3 -0.04 0.22 -0.40 -0.04 2.39 2.12 2rl7B1 GLN 139 HE21 -0.14 -0.05 -0.02 -0.04 6.97 6.72 2rl7B1 GLN 139 HE22 0.03 0.05 -0.05 -0.04 7.69 7.68 2rl7B1 ASP 140 H -0.09 0.60 0.14 -0.55 8.40 8.51 2rl7B1 ASP 140 HA -0.02 0.14 0.58 -0.75 4.63 4.57 2rl7B1 ASP 140 HB2 -0.10 0.13 0.10 -0.04 2.71 2.80 2rl7B1 ASP 140 HB3 0.03 0.00 0.07 -0.04 2.70 2.76 2rl7B1 CYS 141 H -0.12 0.01 -0.17 -0.55 8.50 7.68 2rl7B1 CYS 141 HA -0.40 -0.05 0.19 -0.75 4.58 3.57 2rl7B1 CYS 141 HB2 -0.13 0.23 -0.05 -0.04 2.97 2.98 2rl7B1 CYS 141 HB3 -0.34 0.02 0.18 -0.04 2.97 2.78 2rl7B1 PHE 142 H -0.11 0.10 -0.52 -0.55 8.34 7.27 2rl7B1 PHE 142 HA 0.07 0.11 0.52 -0.75 4.62 4.56 2rl7B1 PHE 142 HB2 -0.05 0.22 -0.33 -0.04 3.15 2.94 2rl7B1 PHE 142 HB3 -0.11 -0.09 -0.23 -0.04 3.06 2.59 2rl7B1 PHE 142 HD2 -0.03 -0.01 -0.07 -0.04 7.28 7.14 2rl7B1 PHE 142 HE2 -0.04 -0.01 -0.10 -0.04 7.38 7.19 2rl7B1 PHE 142 HZ -0.06 -0.02 -0.10 -0.04 7.32 7.10 2rl7B1 TYR 143 H 0.09 0.30 0.07 -0.55 8.29 8.19 2rl7B1 TYR 143 HA -0.38 0.32 0.96 -0.75 4.56 4.70 2rl7B1 TYR 143 HB2 0.05 0.28 0.33 -0.04 3.06 3.67 2rl7B1 TYR 143 HB3 0.19 -0.03 0.05 -0.04 2.98 3.15 2rl7B1 TYR 143 HD2 0.11 0.06 -0.03 -0.04 7.15 7.25 2rl7B1 TYR 143 HE2 0.25 0.03 -0.07 -0.04 6.85 7.02 2rl7B1 LEU 144 H -0.75 0.63 0.32 -0.55 8.37 8.02 2rl7B1 LEU 144 HA -0.39 0.34 1.07 -0.75 4.35 4.62 2rl7B1 LEU 144 HB2 -1.05 0.02 -0.13 -0.04 1.64 0.44 2rl7B1 LEU 144 HB3 -0.53 -0.12 0.10 -0.04 1.64 1.04 2rl7B1 LEU 144 HG -0.27 0.00 -0.25 -0.04 1.64 1.08 2rl7B1 LEU 144 HD13 -0.16 0.03 0.00 -0.04 0.93 0.77 2rl7B1 LEU 144 HD23 -0.07 -0.00 -0.10 -0.04 0.89 0.67 2rl7B1 PHE 145 H -0.05 0.69 0.47 -0.55 8.34 8.90 2rl7B1 PHE 145 HA -0.36 0.15 1.06 -0.75 4.62 4.72 2rl7B1 PHE 145 HB2 -0.29 -0.03 0.01 -0.04 3.15 2.80 2rl7B1 PHE 145 HB3 -0.61 0.06 -0.02 -0.04 3.06 2.44 2rl7B1 PHE 145 HD2 -0.47 0.12 -0.23 -0.04 7.28 6.66 2rl7B1 PHE 145 HE2 -0.58 -0.01 -0.14 -0.04 7.38 6.61 2rl7B1 PHE 145 HZ -0.55 -0.03 -0.12 -0.04 7.32 6.58 2rl7B1 GLU 146 H -0.21 0.69 0.42 -0.55 8.60 8.95 2rl7B1 GLU 146 HA -0.07 0.27 1.01 -0.75 4.29 4.75 2rl7B1 GLU 146 HB2 -0.06 0.01 0.13 -0.04 2.09 2.13 2rl7B1 GLU 146 HB3 -0.12 -0.06 -0.05 -0.04 1.99 1.72 2rl7B1 GLU 146 HG2 -0.16 0.18 0.12 -0.04 2.34 2.44 2rl7B1 GLU 146 HG3 -0.08 0.08 -0.12 -0.04 2.34 2.18 2rl7B1 MET 147 H -0.00 0.57 0.42 -0.55 8.47 8.91 2rl7B1 MET 147 HA 0.06 0.22 0.28 -0.75 4.52 4.32 2rl7B1 MET 147 HB2 0.06 0.02 0.01 -0.04 2.15 2.19 2rl7B1 MET 147 HB3 0.17 0.02 -0.17 -0.04 2.03 2.01 2rl7B1 MET 147 HG2 0.01 -0.05 -0.34 -0.04 2.63 2.20 2rl7B1 MET 147 HG3 0.01 0.00 -0.39 -0.04 2.56 2.14 2rl7B1 MET 147 HE3 -0.28 0.01 -0.11 -0.04 2.10 1.67 2rl7B1 ASP 148 H 0.07 0.71 0.31 -0.55 8.40 8.95 2rl7B1 ASP 148 HA 0.06 0.29 0.98 -0.75 4.63 5.21 2rl7B1 ASP 148 HB2 0.08 -0.05 0.00 -0.04 2.71 2.70 2rl7B1 ASP 148 HB3 0.07 -0.02 -0.08 -0.04 2.70 2.63 2rl7B1 SER 149 H 0.06 0.68 0.19 -0.55 8.46 8.85 2rl7B1 SER 149 HA 0.06 0.18 0.27 -0.75 4.49 4.24 2rl7B1 SER 149 HB2 0.05 0.09 -0.09 -0.04 3.95 3.96 2rl7B1 SER 149 HB3 0.05 -0.08 -0.09 -0.04 3.93 3.78 2rl7B1 SER 150 H 0.03 0.53 0.33 -0.55 8.46 8.81 2rl7B1 SER 150 HA 0.03 -0.18 0.24 -0.75 4.49 3.83 2rl7B1 SER 150 HB2 0.02 -0.04 0.06 -0.04 3.95 3.94 2rl7B1 SER 150 HB3 0.02 0.11 0.02 -0.04 3.93 4.04 2rl7B1 LEU 151 H 0.03 0.11 -0.35 -0.55 8.37 7.61 2rl7B1 LEU 151 HA 0.00 0.14 0.46 -0.75 4.35 4.21 2rl7B1 LEU 151 HB2 0.03 -0.03 0.05 -0.04 1.64 1.64 2rl7B1 LEU 151 HB3 0.02 0.03 -0.14 -0.04 1.64 1.51 2rl7B1 LEU 151 HG -0.02 0.31 0.09 -0.04 1.64 1.98 2rl7B1 LEU 151 HD13 -0.01 -0.02 -0.00 -0.04 0.93 0.85 2rl7B1 LEU 151 HD23 -0.00 -0.01 0.02 -0.04 0.89 0.85 2rl7B1 ALA 152 H 0.04 0.28 -0.45 -0.55 8.40 7.72 2rl7B1 ALA 152 HA 0.03 0.13 0.37 -0.75 4.34 4.11 2rl7B1 ALA 152 HB3 0.08 -0.03 -0.23 -0.04 1.41 1.19 2rl7B1 CYS 153 H 0.01 0.30 -0.71 -0.55 8.50 7.56 2rl7B1 CYS 153 HA -0.00 0.03 0.61 -0.75 4.58 4.46 2rl7B1 CYS 153 HB2 0.01 0.21 0.06 -0.04 2.97 3.21 2rl7B1 CYS 153 HB3 0.01 -0.06 0.01 -0.04 2.97 2.89 2rl7B1 SER 154 H -0.02 0.09 0.06 -0.55 8.46 8.04 2rl7B1 SER 154 HA -0.03 0.03 0.19 -0.75 4.49 3.92 2rl7B1 SER 154 HB2 -0.01 0.19 -0.28 -0.04 3.95 3.80 2rl7B1 SER 154 HB3 -0.02 -0.00 0.08 -0.04 3.93 3.94