NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
2673 |
1cfa   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
assign (resid 2 and name HA ) (resid 3 and name HN ) 3.29 1.39 0.21 assign (resid 2 and name HB1 ) (resid 3 and name HN ) 3.58 1.68 1.42 assign (resid 3 and name HA ) (resid 3 and name HN ) 3.76 1.86 1.24 assign (resid 3 and name HB1 ) (resid 3 and name HN ) 3.45 1.55 0.05 assign (resid 3 and name HA ) (resid 4 and name HN ) 3.16 1.26 0.34 assign (resid 3 and name HB1 ) (resid 4 and name HN ) 4.53 2.63 0.47 assign (resid 3 and name HB2 ) (resid 4 and name HN ) 3.92 2.02 1.08 assign (resid 3 and name HG1 ) (resid 3 and name HN ) 4.18 2.28 0.82 assign (resid 3 and name HB2 ) (resid 3 and name HN ) 3.72 1.82 1.28 assign (resid 3 and name HN ) (resid 4 and name HN ) 4.47 2.57 0.53 assign (resid 4 and name HA ) (resid 5 and name HN ) 3.36 1.46 0.14 assign (resid 4 and name HA ) (resid 7 and name HN ) 3.94 2.04 1.06 assign (resid 4 and name HA ) (resid 4 and name HN ) 3.36 1.46 0.14 assign (resid 5 and name HN ) (resid 6 and name HN ) 3.96 2.06 1.04 assign (resid 5 and name HA ) (resid 6 and name HN ) 3.97 2.07 1.03 assign (resid 5 and name HA ) (resid 9 and name HG11 ) 4.00 2.10 1.00 assign (resid 5 and name HA ) (resid 8 and name HG2 ) 4.64 2.74 0.36 assign (resid 6 and name HD1+ ) (resid 13 and name HE1 ) 3.64 1.74 3.36 assign (resid 6 and name HG2+ ) (resid 10 and name HN ) 4.12 2.22 1.88 assign (resid 6 and name HD1+ ) (resid 6 and name HN ) 4.06 2.16 1.94 assign (resid 6 and name HG2+ ) (resid 6 and name HN ) 3.87 1.97 2.13 assign (resid 6 and name HA ) (resid 6 and name HN ) 4.00 2.10 1.00 assign (resid 6 and name HG2+ ) (resid 7 and name HN ) 3.89 1.99 2.11 assign (resid 6 and name HD1+ ) (resid 58 and name HN ) 3.84 1.94 2.16 assign (resid 6 and name HA ) (resid 9 and name HN ) 4.00 2.10 1.00 assign (resid 6 and name HN ) (resid 7 and name HN ) 3.56 1.66 1.44 assign (resid 6 and name HG12 ) (resid 7 and name HN ) 4.64 2.74 0.36 assign (resid 6 and name HA ) (resid 6 and name HD1+ ) 3.11 1.21 1.39 assign (resid 6 and name HG2+ ) (resid 9 and name HB ) 3.37 1.47 1.13 assign (resid 6 and name HG2+ ) (resid 26 and name HB+ ) 3.26 1.36 2.24 assign (resid 6 and name HB ) (resid 6 and name HG2+ ) 3.38 1.48 1.12 assign (resid 6 and name HG2+ ) (resid 58 and name HA ) 3.38 1.48 1.12 assign (resid 6 and name HA ) (resid 6 and name HG2+ ) 3.05 1.15 1.45 assign (resid 6 and name HG12 ) (resid 6 and name HG2+ ) 3.21 1.31 1.29 assign (resid 6 and name HG12 ) (resid 57 and name HG2+ ) 3.21 1.31 1.29 assign (resid 6 and name HB ) (resid 6 and name HN ) 3.42 1.52 0.08 assign (resid 6 and name HG2+ ) (resid 58 and name HB+ ) 3.64 1.74 3.36 assign (resid 6 and name HD1+ ) (resid 58 and name HA ) 3.80 1.90 2.20 assign (resid 6 and name HD1+ ) (resid 54 and name HA ) 3.80 1.90 2.20 assign (resid 6 and name HD1+ ) (resid 71 and name HB1 ) 4.50 2.60 1.50 assign (resid 6 and name HB ) (resid 6 and name HD1+ ) 4.38 2.48 1.62 assign (resid 6 and name HG11 ) (resid 6 and name HN ) 3.95 2.05 1.05 assign (resid 7 and name HG1 ) (resid 8 and name HN ) 3.73 1.83 1.27 assign (resid 7 and name HN ) (resid 8 and name HN ) 3.50 1.60 1.50 assign (resid 7 and name HA ) (resid 23 and name HE1 ) 4.11 2.21 0.89 assign (resid 7 and name HA ) (resid 10 and name HB+ ) 3.33 1.43 1.17 assign (resid 7 and name HA ) (resid 8 and name HN ) 4.07 2.17 0.93 assign (resid 7 and name HB1 ) (resid 7 and name HN ) 3.48 1.58 0.02 assign (resid 7 and name HA ) (resid 10 and name HN ) 4.34 2.44 0.66 assign (resid 7 and name HA ) (resid 7 and name HN ) 3.53 1.63 1.47 assign (resid 7 and name HG1 ) (resid 7 and name HN ) 4.03 2.13 0.97 assign (resid 7 and name HG2 ) (resid 7 and name HN ) 4.34 2.44 0.66 assign (resid 7 and name HB1 ) (resid 8 and name HN ) 3.61 1.71 1.39 assign (resid 8 and name HA ) (resid 9 and name HN ) 3.39 1.49 0.11 assign (resid 8 and name HA ) (resid 11 and name HA ) 3.12 1.22 0.38 assign (resid 8 and name HG1 ) (resid 9 and name HD1+ ) 4.05 2.15 1.95 assign (resid 8 and name HG1 ) (resid 8 and name HN ) 3.61 1.71 1.39 assign (resid 8 and name HN ) (resid 9 and name HN ) 3.78 1.88 1.22 assign (resid 8 and name HB1 ) (resid 8 and name HN ) 3.32 1.42 0.18 assign (resid 8 and name HG2 ) (resid 8 and name HN ) 4.00 2.10 1.00 assign (resid 8 and name HA ) (resid 11 and name HN ) 3.80 1.90 1.20 assign (resid 8 and name HA ) (resid 8 and name HN ) 3.19 1.29 0.31 assign (resid 8 and name HG2 ) (resid 8 and name HA ) 3.81 1.91 1.19 assign (resid 8 and name HA ) (resid 23 and name HE1 ) 4.47 2.57 0.53 assign (resid 9 and name HG2+ ) (resid 9 and name HN ) 3.88 1.98 2.12 assign (resid 9 and name HG11 ) (resid 9 and name HN ) 4.28 2.38 0.72 assign (resid 9 and name HG12 ) (resid 9 and name HD1+ ) 3.10 1.20 1.40 assign (resid 9 and name HA ) (resid 9 and name HD1+ ) 3.20 1.30 1.30 assign (resid 9 and name HB ) (resid 10 and name HN ) 3.41 1.51 0.09 assign (resid 9 and name HA ) (resid 10 and name HN ) 4.32 2.42 0.68 assign (resid 9 and name HB ) (resid 9 and name HN ) 3.48 1.58 0.02 assign (resid 9 and name HG2+ ) (resid 13 and name HE1 ) 3.11 1.21 1.39 assign (resid 9 and name HG11 ) (resid 9 and name HD1+ ) 3.98 2.08 2.02 assign (resid 9 and name HG2+ ) (resid 9 and name HD1+ ) 3.90 2.00 3.10 assign (resid 9 and name HA ) (resid 9 and name HN ) 3.76 1.86 1.24 assign (resid 9 and name HA ) (resid 9 and name HG11 ) 3.87 1.97 1.13 assign (resid 9 and name HD1+ ) (resid 9 and name HN ) 4.03 2.13 1.97 assign (resid 9 and name HB ) (resid 9 and name HD1+ ) 4.05 2.15 1.95 assign (resid 9 and name HG2+ ) (resid 13 and name HD1 ) 3.88 1.98 2.12 assign (resid 9 and name HA ) (resid 9 and name HG2+ ) 3.12 1.22 1.38 assign (resid 9 and name HA ) (resid 9 and name HG12 ) 3.93 2.03 1.07 assign (resid 9 and name HB ) (resid 9 and name HG2+ ) 3.20 1.30 1.30 assign (resid 9 and name HG2+ ) (resid 10 and name HN ) 3.83 1.93 2.17 assign (resid 9 and name HG12 ) (resid 9 and name HN ) 3.64 1.74 1.36 assign (resid 9 and name HA ) (resid 12 and name HE1 ) 4.49 2.59 0.51 assign (resid 9 and name HN ) (resid 10 and name HN ) 3.45 1.55 0.05 assign (resid 9 and name HG12 ) (resid 9 and name HG2+ ) 3.75 1.85 2.25 assign (resid 10 and name HN ) (resid 11 and name HN ) 3.49 1.59 0.01 assign (resid 10 and name HB+ ) (resid 10 and name HN ) 3.02 1.12 1.48 assign (resid 10 and name HA ) (resid 13 and name HN ) 4.19 2.29 0.81 assign (resid 10 and name HB+ ) (resid 11 and name HN ) 3.52 1.62 2.48 assign (resid 10 and name HA ) (resid 13 and name HD1 ) 3.15 1.25 0.35 assign (resid 10 and name HB+ ) (resid 23 and name HD1 ) 4.36 2.46 2.64 assign (resid 10 and name HB+ ) (resid 13 and name HD1 ) 3.85 1.95 3.15 assign (resid 10 and name HB+ ) (resid 19 and name HA ) 4.85 2.95 1.15 assign (resid 10 and name HA ) (resid 10 and name HN ) 3.51 1.61 1.49 assign (resid 10 and name HB+ ) (resid 23 and name HE1 ) 3.35 1.45 1.15 assign (resid 10 and name HA ) (resid 13 and name HE1 ) 3.68 1.78 1.32 assign (resid 10 and name HA ) (resid 10 and name HB+ ) 3.17 1.27 1.33 assign (resid 10 and name HB+ ) (resid 23 and name HA ) 3.17 1.27 1.33 assign (resid 10 and name HA ) (resid 22 and name HB1 ) 4.66 2.76 0.34 assign (resid 10 and name HA ) (resid 22 and name HB2 ) 3.77 1.87 1.23 assign (resid 10 and name HB+ ) (resid 23 and name HD2 ) 4.11 2.21 1.89 assign (resid 11 and name HA ) (resid 19 and name HD1 ) 2.88 0.98 0.62 assign (resid 11 and name HA ) (resid 11 and name HB+ ) 2.88 0.98 1.62 assign (resid 11 and name HB+ ) (resid 12 and name HN ) 3.33 1.43 1.17 assign (resid 11 and name HN ) (resid 12 and name HN ) 3.72 1.82 1.28 assign (resid 11 and name HB+ ) (resid 23 and name HE2 ) 4.54 2.64 1.46 assign (resid 11 and name HA ) (resid 11 and name HN ) 3.28 1.38 0.22 assign (resid 11 and name HB+ ) (resid 11 and name HN ) 2.82 0.92 1.68 assign (resid 12 and name HG1 ) (resid 12 and name HN ) 4.22 2.32 0.78 assign (resid 12 and name HG1 ) (resid 13 and name HN ) 4.22 2.32 0.78 assign (resid 12 and name HE1 ) (resid 12 and name HB1 ) 3.54 1.64 1.46 assign (resid 12 and name HB1 ) (resid 13 and name HN ) 3.64 1.74 1.36 assign (resid 12 and name HN ) (resid 13 and name HD1 ) 3.46 1.56 0.04 assign (resid 12 and name HB1 ) (resid 13 and name HE1 ) 4.53 2.63 0.47 assign (resid 12 and name HA ) (resid 12 and name HD1 ) 3.83 1.93 1.17 assign (resid 12 and name HE1 ) (resid 12 and name HD1 ) 4.32 2.42 0.68 assign (resid 12 and name HA ) (resid 13 and name HN ) 3.28 1.38 0.22 assign (resid 12 and name HA ) (resid 12 and name HN ) 3.28 1.38 0.22 assign (resid 12 and name HB1 ) (resid 12 and name HN ) 3.64 1.74 1.36 assign (resid 12 and name HD1 ) (resid 13 and name HN ) 3.90 2.00 1.10 assign (resid 12 and name HD1 ) (resid 12 and name HN ) 3.90 2.00 1.10 assign (resid 12 and name HA ) (resid 12 and name HG1 ) 4.11 2.21 0.89 assign (resid 12 and name HE1 ) (resid 12 and name HG1 ) 3.81 1.91 1.19 assign (resid 13 and name HA ) (resid 13 and name HN ) 3.73 1.83 1.27 assign (resid 13 and name HB1 ) (resid 13 and name HE2 ) 4.02 2.12 0.98 assign (resid 13 and name HD2 ) (resid 18 and name HB ) 4.86 2.96 0.14 assign (resid 13 and name HD1 ) (resid 19 and name HA ) 4.22 2.32 0.78 assign (resid 13 and name HD2 ) (resid 18 and name HG1+ ) 3.73 1.83 2.27 assign (resid 13 and name HD2 ) (resid 50 and name HB+ ) 3.73 1.83 2.27 assign (resid 13 and name HE2 ) (resid 18 and name HG2+ ) 3.94 2.04 2.06 assign (resid 13 and name HA ) (resid 13 and name HE1 ) 4.20 2.30 0.80 assign (resid 13 and name HN ) (resid 13 and name HD1 ) 3.46 1.56 0.04 assign (resid 13 and name HD1 ) (resid 13 and name HE1 ) 2.57 0.67 0.13 assign (resid 13 and name HA ) (resid 14 and name HN ) 3.36 1.46 0.14 assign (resid 13 and name HE2 ) (resid 51 and name HA ) 3.93 2.03 1.07 assign (resid 13 and name HN ) (resid 19 and name HB2 ) 4.13 2.23 0.87 assign (resid 13 and name HD2 ) (resid 51 and name HA ) 3.15 1.25 0.35 assign (resid 13 and name HD2 ) (resid 18 and name HG2+ ) 3.40 1.50 1.10 assign (resid 13 and name HB2 ) (resid 14 and name HN ) 4.09 2.19 0.91 assign (resid 13 and name HD1 ) (resid 14 and name HN ) 4.31 2.41 0.69 assign (resid 13 and name HD2 ) (resid 54 and name HB2 ) 3.35 1.45 0.15 assign (resid 13 and name HB2 ) (resid 13 and name HD2 ) 3.35 1.45 0.15 assign (resid 13 and name HB2 ) (resid 13 and name HD1 ) 3.35 1.45 0.15 assign (resid 13 and name HB1 ) (resid 13 and name HD2 ) 3.28 1.38 0.22 assign (resid 13 and name HB1 ) (resid 13 and name HD1 ) 3.28 1.38 0.22 assign (resid 13 and name HA ) (resid 13 and name HD1 ) 3.06 1.16 0.44 assign (resid 13 and name HB1 ) (resid 22 and name HB2 ) 3.17 1.27 0.33 assign (resid 13 and name HE2 ) (resid 50 and name HB+ ) 3.64 1.74 3.36 assign (resid 13 and name HD2 ) (resid 50 and name HA ) 3.12 1.22 0.38 assign (resid 13 and name HE2 ) (resid 13 and name HD2 ) 2.56 0.66 0.14 assign (resid 13 and name HB2 ) (resid 13 and name HE1 ) 4.68 2.78 0.32 assign (resid 13 and name HE2 ) (resid 54 and name HB2 ) 4.68 2.78 0.32 assign (resid 13 and name HE2 ) (resid 22 and name HB2 ) 5.10 3.20 -0.10 assign (resid 13 and name HE2 ) (resid 22 and name HA ) 3.64 1.74 1.36 assign (resid 13 and name HB1 ) (resid 18 and name HG1+ ) 4.73 2.83 1.27 assign (resid 13 and name HB2 ) (resid 19 and name HG1 ) 4.02 2.12 0.98 assign (resid 13 and name HB1 ) (resid 50 and name HB+ ) 4.73 2.83 1.27 assign (resid 13 and name HD2 ) (resid 19 and name HA ) 4.01 2.11 0.99 assign (resid 13 and name HD1 ) (resid 22 and name HB2 ) 4.70 2.80 0.30 assign (resid 13 and name HB1 ) (resid 19 and name HA ) 4.02 2.12 0.98 assign (resid 13 and name HB2 ) (resid 19 and name HA ) 4.25 2.35 0.75 assign (resid 13 and name HD2 ) (resid 22 and name HB2 ) 4.70 2.80 0.30 assign (resid 13 and name HE2 ) (resid 50 and name HA ) 3.64 1.74 1.36 assign (resid 13 and name HE2 ) (resid 22 and name HB1 ) 4.10 2.20 0.90 assign (resid 13 and name HA ) (resid 18 and name HG2+ ) 5.11 3.21 -0.11 assign (resid 13 and name HB2 ) (resid 73 and name HA ) 3.60 1.70 1.40 assign (resid 13 and name HB1 ) (resid 13 and name HN ) 3.62 1.72 1.38 assign (resid 13 and name HB1 ) (resid 13 and name HA ) 3.97 2.07 1.03 assign (resid 13 and name HB2 ) (resid 13 and name HA ) 3.60 1.70 1.40 assign (resid 13 and name HB1 ) (resid 18 and name HG2+ ) 4.41 2.51 1.59 assign (resid 13 and name HB2 ) (resid 18 and name HG2+ ) 4.11 2.21 1.89 assign (resid 14 and name HA ) (resid 15 and name HD2 ) 3.71 1.81 1.29 assign (resid 14 and name HA ) (resid 74 and name HN ) 3.86 1.96 1.14 assign (resid 14 and name HN ) (resid 15 and name HN ) 4.24 2.34 0.76 assign (resid 14 and name HB2 ) (resid 14 and name HN ) 4.21 2.31 0.79 assign (resid 14 and name HB1 ) (resid 14 and name HN ) 4.09 2.19 0.91 assign (resid 14 and name HG1 ) (resid 14 and name HN ) 4.19 2.29 0.81 assign (resid 14 and name HG1 ) (resid 15 and name HN ) 4.52 2.62 0.48 assign (resid 14 and name HG1 ) (resid 15 and name HD2 ) 3.16 1.26 0.34 assign (resid 14 and name HB1 ) (resid 18 and name HG1+ ) 3.10 1.20 1.40 assign (resid 14 and name HA ) (resid 18 and name HG1+ ) 3.00 1.10 1.50 assign (resid 14 and name HN ) (resid 74 and name HN ) 4.01 2.11 0.99 assign (resid 14 and name HA ) (resid 14 and name HN ) 3.51 1.61 1.49 assign (resid 14 and name HB2 ) (resid 74 and name HN ) 4.04 2.14 0.96 assign (resid 14 and name HB1 ) (resid 74 and name HN ) 3.64 1.74 1.36 assign (resid 14 and name HB1 ) (resid 18 and name HG2+ ) 4.11 2.21 1.89 assign (resid 15 and name HB1 ) (resid 15 and name HE1 ) 4.30 2.40 0.70 assign (resid 15 and name HN ) (resid 18 and name HG1+ ) 3.92 2.02 2.08 assign (resid 15 and name HB1 ) (resid 15 and name HA ) 3.46 1.56 0.04 assign (resid 15 and name HB1 ) (resid 15 and name HD2 ) 3.75 1.85 1.25 assign (resid 15 and name HB2 ) (resid 15 and name HD2 ) 4.00 2.10 1.00 assign (resid 15 and name HA ) (resid 17 and name HN ) 4.61 2.71 0.39 assign (resid 15 and name HB1 ) (resid 15 and name HN ) 3.82 1.92 1.18 assign (resid 15 and name HA ) (resid 15 and name HD2 ) 4.04 2.14 0.96 assign (resid 15 and name HB2 ) (resid 15 and name HA ) 3.56 1.66 1.44 assign (resid 15 and name HD2 ) (resid 18 and name HG1+ ) 3.56 1.66 2.44 assign (resid 16 and name HA ) (resid 17 and name HN ) 3.47 1.57 0.03 assign (resid 16 and name HB2 ) (resid 16 and name HA ) 3.74 1.84 1.26 assign (resid 17 and name HB ) (resid 18 and name HG1+ ) 4.38 2.48 1.62 assign (resid 17 and name HN ) (resid 18 and name HN ) 3.92 2.02 1.08 assign (resid 17 and name HN ) (resid 74 and name HA* ) 4.17 2.27 1.83 assign (resid 17 and name HB ) (resid 17 and name HG1+ ) 3.18 1.28 1.32 assign (resid 17 and name HA ) (resid 17 and name HG1+ ) 3.04 1.14 1.46 assign (resid 17 and name HB ) (resid 17 and name HN ) 3.59 1.69 1.41 assign (resid 17 and name HA ) (resid 20 and name HN ) 4.26 2.36 0.74 assign (resid 17 and name HA ) (resid 17 and name HG2+ ) 3.29 1.39 1.21 assign (resid 17 and name HB ) (resid 17 and name HG2+ ) 3.17 1.27 1.33 assign (resid 17 and name HG1+ ) (resid 18 and name HN ) 4.10 2.20 1.90 assign (resid 17 and name HG2+ ) (resid 17 and name HN ) 4.00 2.10 2.00 assign (resid 17 and name HG2+ ) (resid 18 and name HN ) 4.15 2.25 1.85 assign (resid 17 and name HB ) (resid 18 and name HN ) 3.87 1.97 1.13 assign (resid 17 and name HG1+ ) (resid 17 and name HN ) 3.36 1.46 1.14 assign (resid 17 and name HA ) (resid 17 and name HN ) 3.73 1.83 1.27 assign (resid 18 and name HG1+ ) (resid 18 and name HN ) 3.25 1.35 1.25 assign (resid 18 and name HB ) (resid 50 and name HB+ ) 3.46 1.56 1.04 assign (resid 18 and name HB ) (resid 19 and name HN ) 3.99 2.09 1.01 assign (resid 18 and name HB ) (resid 18 and name HG1+ ) 3.46 1.56 1.04 assign (resid 18 and name HG2+ ) (resid 50 and name HN ) 4.53 2.63 1.47 assign (resid 18 and name HA ) (resid 21 and name HB1 ) 4.26 2.36 0.74 assign (resid 18 and name HG1+ ) (resid 19 and name HN ) 3.53 1.63 2.47 assign (resid 18 and name HG2+ ) (resid 73 and name HA ) 5.04 3.14 -0.04 assign (resid 18 and name HG2+ ) (resid 50 and name HA ) 4.18 2.28 1.82 assign (resid 18 and name HA ) (resid 18 and name HG1+ ) 3.72 1.82 2.28 assign (resid 18 and name HA ) (resid 21 and name HN ) 4.05 2.15 0.95 assign (resid 18 and name HG1+ ) (resid 73 and name HB2 ) 3.85 1.95 2.15 assign (resid 18 and name HG2+ ) (resid 18 and name HN ) 4.48 2.58 1.52 assign (resid 18 and name HA ) (resid 50 and name HB+ ) 3.72 1.82 2.28 assign (resid 18 and name HG2+ ) (resid 19 and name HA ) 4.86 2.96 1.14 assign (resid 18 and name HG1+ ) (resid 19 and name HB1 ) 2.87 0.97 1.63 assign (resid 18 and name HB ) (resid 18 and name HG2+ ) 3.41 1.51 1.09 assign (resid 18 and name HG2+ ) (resid 50 and name HB+ ) 2.74 0.84 2.76 assign (resid 18 and name HB ) (resid 18 and name HN ) 3.74 1.84 1.26 assign (resid 18 and name HA ) (resid 18 and name HG2+ ) 3.59 1.69 2.41 assign (resid 18 and name HN ) (resid 19 and name HN ) 3.63 1.73 1.37 assign (resid 18 and name HA ) (resid 18 and name HN ) 4.07 2.17 0.93 assign (resid 18 and name HG2+ ) (resid 19 and name HN ) 4.42 2.52 1.58 assign (resid 18 and name HG1+ ) (resid 18 and name HG2+ ) 2.74 0.84 2.76 assign (resid 19 and name HD1 ) (resid 23 and name HE2 ) 4.54 2.64 0.46 assign (resid 19 and name HG1 ) (resid 19 and name HN ) 4.42 2.52 0.58 assign (resid 19 and name HE1 ) (resid 23 and name HE2 ) 4.39 2.49 0.61 assign (resid 19 and name HB2 ) (resid 20 and name HN ) 4.18 2.28 0.82 assign (resid 19 and name HB1 ) (resid 19 and name HN ) 3.96 2.06 1.04 assign (resid 19 and name HA ) (resid 19 and name HB1 ) 4.66 2.76 0.34 assign (resid 19 and name HG1 ) (resid 23 and name HD2 ) 4.01 2.11 0.99 assign (resid 19 and name HA ) (resid 19 and name HB2 ) 3.95 2.05 1.05 assign (resid 19 and name HB2 ) (resid 19 and name HN ) 3.19 1.29 0.31 assign (resid 19 and name HA ) (resid 19 and name HN ) 3.72 1.82 1.28 assign (resid 19 and name HE1 ) (resid 23 and name HD2 ) 3.69 1.79 1.31 assign (resid 19 and name HG1 ) (resid 23 and name HE2 ) 4.70 2.80 0.30 assign (resid 19 and name HN ) (resid 20 and name HN ) 3.94 2.04 1.06 assign (resid 19 and name HA ) (resid 22 and name HB2 ) 4.15 2.25 0.85 assign (resid 19 and name HA ) (resid 22 and name HB1 ) 4.02 2.12 0.98 assign (resid 19 and name HA ) (resid 22 and name HN ) 4.51 2.61 0.49 assign (resid 19 and name HB1 ) (resid 20 and name HN ) 4.28 2.38 0.72 assign (resid 19 and name HE1 ) (resid 20 and name HA ) 3.75 1.85 1.25 assign (resid 20 and name HN ) (resid 21 and name HN ) 3.88 1.98 1.12 assign (resid 20 and name HA ) (resid 24 and name HN ) 4.44 2.54 0.56 assign (resid 20 and name HA ) (resid 23 and name HD2 ) 3.45 1.55 0.05 assign (resid 20 and name HA ) (resid 21 and name HN ) 4.06 2.16 0.94 assign (resid 20 and name HA ) (resid 23 and name HB2 ) 3.77 1.87 1.23 assign (resid 20 and name HA ) (resid 23 and name HB1 ) 3.75 1.85 1.25 assign (resid 20 and name HA ) (resid 23 and name HE2 ) 4.47 2.57 0.53 assign (resid 20 and name HA ) (resid 23 and name HN ) 3.19 1.29 0.31 assign (resid 20 and name HA ) (resid 20 and name HN ) 3.39 1.49 0.11 assign (resid 21 and name HB1 ) (resid 47 and name HB1 ) 3.60 1.70 1.40 assign (resid 21 and name HA ) (resid 51 and name HD2 ) 4.11 2.21 0.89 assign (resid 21 and name HB2 ) (resid 50 and name HB+ ) 3.40 1.50 1.10 assign (resid 21 and name HB1 ) (resid 51 and name HD2 ) 4.33 2.43 0.67 assign (resid 21 and name HB1 ) (resid 22 and name HN ) 3.23 1.33 0.27 assign (resid 21 and name HA ) (resid 24 and name HN ) 4.47 2.57 0.53 assign (resid 21 and name HB1 ) (resid 51 and name HN ) 4.66 2.76 0.34 assign (resid 21 and name HA ) (resid 21 and name HN ) 3.58 1.68 1.42 assign (resid 21 and name HA ) (resid 51 and name HB2 ) 3.73 1.83 1.27 assign (resid 21 and name HA ) (resid 47 and name HB1 ) 4.24 2.34 0.76 assign (resid 21 and name HB2 ) (resid 21 and name HN ) 4.06 2.16 0.94 assign (resid 21 and name HB2 ) (resid 22 and name HN ) 3.23 1.33 0.27 assign (resid 21 and name HB1 ) (resid 47 and name HB2 ) 3.50 1.60 0.00 assign (resid 21 and name HB1 ) (resid 24 and name HB2 ) 3.50 1.60 0.00 assign (resid 21 and name HA ) (resid 24 and name HB2 ) 3.17 1.27 0.33 assign (resid 21 and name HA ) (resid 47 and name HB2 ) 3.17 1.27 0.33 assign (resid 21 and name HA ) (resid 22 and name HN ) 4.49 2.59 0.51 assign (resid 21 and name HN ) (resid 22 and name HN ) 3.80 1.90 1.20 assign (resid 21 and name HB1 ) (resid 50 and name HB+ ) 3.40 1.50 1.10 assign (resid 22 and name HB1 ) (resid 23 and name HN ) 4.35 2.45 0.65 assign (resid 22 and name HB2 ) (resid 22 and name HN ) 3.58 1.68 1.42 assign (resid 22 and name HN ) (resid 50 and name HB+ ) 3.83 1.93 2.17 assign (resid 22 and name HA ) (resid 23 and name HN ) 3.08 1.18 0.42 assign (resid 22 and name HA ) (resid 50 and name HB+ ) 3.00 1.10 1.50 assign (resid 22 and name HB2 ) (resid 51 and name HB2 ) 3.44 1.54 0.06 assign (resid 22 and name HB1 ) (resid 51 and name HA ) 4.66 2.76 0.34 assign (resid 22 and name HB2 ) (resid 51 and name HA ) 3.77 1.87 1.23 assign (resid 22 and name HB1 ) (resid 23 and name HA ) 4.66 2.76 0.34 assign (resid 22 and name HA ) (resid 54 and name HB2 ) 3.60 1.70 1.40 assign (resid 22 and name HB2 ) (resid 22 and name HA ) 3.90 2.00 1.10 assign (resid 22 and name HB1 ) (resid 22 and name HA ) 3.91 2.01 1.09 assign (resid 22 and name HA ) (resid 51 and name HB2 ) 3.60 1.70 1.40 assign (resid 22 and name HN ) (resid 23 and name HN ) 3.89 1.99 1.11 assign (resid 22 and name HB1 ) (resid 22 and name HN ) 3.66 1.76 1.34 assign (resid 22 and name HA ) (resid 22 and name HN ) 3.73 1.83 1.27 assign (resid 22 and name HA ) (resid 51 and name HN ) 4.68 2.78 0.32 assign (resid 22 and name HB2 ) (resid 23 and name HN ) 4.09 2.19 0.91 assign (resid 23 and name HA ) (resid 23 and name HD1 ) 3.23 1.33 0.27 assign (resid 23 and name HB2 ) (resid 23 and name HN ) 4.20 2.30 0.80 assign (resid 23 and name HN ) (resid 23 and name HD2 ) 4.40 2.50 0.60 assign (resid 23 and name HA ) (resid 27 and name HN ) 4.45 2.55 0.55 assign (resid 23 and name HB2 ) (resid 23 and name HD2 ) 3.79 1.89 1.21 assign (resid 23 and name HB1 ) (resid 23 and name HD1 ) 3.69 1.79 1.31 assign (resid 23 and name HB1 ) (resid 23 and name HD2 ) 3.69 1.79 1.31 assign (resid 23 and name HA ) (resid 23 and name HD2 ) 3.21 1.31 0.29 assign (resid 23 and name HD1 ) (resid 23 and name HE1 ) 2.52 0.62 0.18 assign (resid 23 and name HN ) (resid 24 and name HN ) 3.78 1.88 1.22 assign (resid 23 and name HA ) (resid 24 and name HN ) 4.55 2.65 0.45 assign (resid 23 and name HA ) (resid 23 and name HE1 ) 4.34 2.44 0.66 assign (resid 23 and name HA ) (resid 26 and name HN ) 4.40 2.50 0.60 assign (resid 23 and name HB1 ) (resid 24 and name HN ) 4.07 2.17 0.93 assign (resid 23 and name HB2 ) (resid 24 and name HN ) 4.28 2.38 0.72 assign (resid 23 and name HE1 ) (resid 23 and name HD1 ) 2.52 0.62 0.18 assign (resid 23 and name HB2 ) (resid 23 and name HA ) 3.77 1.87 1.23 assign (resid 23 and name HB1 ) (resid 23 and name HA ) 3.56 1.66 1.44 assign (resid 23 and name HB1 ) (resid 23 and name HE1 ) 4.39 2.49 0.61 assign (resid 24 and name HB1 ) (resid 24 and name HN ) 3.82 1.92 1.18 assign (resid 24 and name HA ) (resid 51 and name HE2 ) 4.33 2.43 0.67 assign (resid 24 and name HA ) (resid 27 and name HB2 ) 2.62 0.72 0.08 assign (resid 24 and name HB2 ) (resid 51 and name HD2 ) 3.74 1.84 1.26 assign (resid 24 and name HB2 ) (resid 51 and name HE2 ) 3.74 1.84 1.26 assign (resid 24 and name HA ) (resid 25 and name HN ) 4.20 2.30 0.80 assign (resid 24 and name HB1 ) (resid 51 and name HE2 ) 3.68 1.78 1.32 assign (resid 24 and name HB2 ) (resid 24 and name HN ) 3.71 1.81 1.29 assign (resid 24 and name HA ) (resid 24 and name HN ) 3.52 1.62 1.48 assign (resid 24 and name HA ) (resid 51 and name HD2 ) 4.33 2.43 0.67 assign (resid 24 and name HB2 ) (resid 47 and name HB1 ) 2.74 0.84 0.76 assign (resid 24 and name HB1 ) (resid 25 and name HN ) 4.19 2.29 0.81 assign (resid 24 and name HA ) (resid 27 and name HN ) 3.23 1.33 0.27 assign (resid 24 and name HN ) (resid 25 and name HN ) 3.74 1.84 1.26 assign (resid 24 and name HB2 ) (resid 24 and name HA ) 3.50 1.60 0.00 assign (resid 24 and name HB1 ) (resid 24 and name HA ) 3.60 1.70 1.40 assign (resid 25 and name HN ) (resid 51 and name HA ) 4.06 2.16 0.94 assign (resid 25 and name HN ) (resid 26 and name HN ) 3.91 2.01 1.09 assign (resid 25 and name HA1 ) (resid 26 and name HN ) 4.42 2.52 0.58 assign (resid 25 and name HA2 ) (resid 26 and name HN ) 3.88 1.98 1.12 assign (resid 25 and name HN ) (resid 51 and name HD2 ) 4.07 2.17 0.93 assign (resid 25 and name HA2 ) (resid 25 and name HN ) 3.73 1.83 1.27 assign (resid 25 and name HA2 ) (resid 51 and name HZ ) 4.59 2.69 0.41 assign (resid 25 and name HA2 ) (resid 51 and name HE2 ) 4.10 2.20 0.90 assign (resid 25 and name HA1 ) (resid 51 and name HD2 ) 4.23 2.33 0.77 assign (resid 25 and name HA2 ) (resid 51 and name HE1 ) 4.18 2.28 0.82 assign (resid 25 and name HA1 ) (resid 25 and name HN ) 3.57 1.67 1.43 assign (resid 26 and name HA ) (resid 55 and name HB2 ) 3.81 1.91 1.19 assign (resid 26 and name HB+ ) (resid 26 and name HN ) 3.01 1.11 1.49 assign (resid 26 and name HN ) (resid 55 and name HA ) 3.11 1.21 0.39 assign (resid 26 and name HN ) (resid 27 and name HN ) 3.67 1.77 1.33 assign (resid 26 and name HA ) (resid 26 and name HN ) 3.11 1.21 0.39 assign (resid 26 and name HA ) (resid 27 and name HN ) 3.03 1.13 0.47 assign (resid 26 and name HN ) (resid 58 and name HB+ ) 4.48 2.58 1.52 assign (resid 26 and name HB+ ) (resid 27 and name HN ) 3.89 1.99 2.11 assign (resid 27 and name HB2 ) (resid 27 and name HA ) 2.62 0.72 0.08 assign (resid 27 and name HB1 ) (resid 27 and name HA ) 2.62 0.72 0.08 assign (resid 27 and name HA ) (resid 27 and name HN ) 3.23 1.33 0.27 assign (resid 27 and name HB1 ) (resid 28 and name HG2+ ) 4.08 2.18 1.92 assign (resid 27 and name HB1 ) (resid 27 and name HN ) 3.03 1.13 0.47 assign (resid 27 and name HB2 ) (resid 27 and name HN ) 3.03 1.13 0.47 assign (resid 27 and name HN ) (resid 28 and name HN ) 4.28 2.38 0.72 assign (resid 27 and name HB2 ) (resid 28 and name HN ) 3.46 1.56 0.04 assign (resid 27 and name HB1 ) (resid 28 and name HN ) 3.46 1.56 0.04 assign (resid 27 and name HA ) (resid 28 and name HN ) 2.96 1.06 0.54 assign (resid 28 and name HG2+ ) (resid 29 and name HN ) 3.93 2.03 2.07 assign (resid 28 and name HB ) (resid 29 and name HN ) 3.51 1.61 1.49 assign (resid 28 and name HB ) (resid 28 and name HN ) 3.49 1.59 0.01 assign (resid 28 and name HG2+ ) (resid 28 and name HN ) 3.24 1.34 1.26 assign (resid 28 and name HB ) (resid 28 and name HG1+ ) 3.37 1.47 1.13 assign (resid 28 and name HA ) (resid 28 and name HG1+ ) 3.05 1.15 1.45 assign (resid 28 and name HA ) (resid 29 and name HN ) 2.80 0.90 0.70 assign (resid 28 and name HG1+ ) (resid 28 and name HN ) 3.75 1.85 2.25 assign (resid 28 and name HA ) (resid 28 and name HN ) 3.71 1.81 1.29 assign (resid 28 and name HG1+ ) (resid 29 and name HN ) 3.70 1.80 2.30 assign (resid 28 and name HB ) (resid 28 and name HG2+ ) 3.32 1.42 1.18 assign (resid 28 and name HG2+ ) (resid 32 and name HG2 ) 3.17 1.27 1.33 assign (resid 28 and name HA ) (resid 28 and name HG2+ ) 3.29 1.39 1.21 assign (resid 29 and name HA ) (resid 30 and name HN ) 3.10 1.20 0.40 assign (resid 29 and name HB1 ) (resid 29 and name HN ) 4.12 2.22 0.88 assign (resid 29 and name HB2 ) (resid 32 and name HA ) 3.20 1.30 0.30 assign (resid 29 and name HB1 ) (resid 32 and name HA ) 3.36 1.46 0.14 assign (resid 29 and name HB2 ) (resid 29 and name HN ) 4.55 2.65 0.45 assign (resid 29 and name HB1 ) (resid 32 and name HN ) 4.21 2.31 0.79 assign (resid 29 and name HB1 ) (resid 29 and name HA ) 3.36 1.46 0.14 assign (resid 29 and name HB2 ) (resid 29 and name HA ) 3.20 1.30 0.30 assign (resid 29 and name HB1 ) (resid 30 and name HN ) 3.74 1.84 1.26 assign (resid 29 and name HA ) (resid 29 and name HN ) 3.82 1.92 1.18 assign (resid 29 and name HN ) (resid 30 and name HN ) 4.38 2.48 0.62 assign (resid 30 and name HB2 ) (resid 30 and name HN ) 4.08 2.18 0.92 assign (resid 30 and name HB2 ) (resid 31 and name HN ) 4.19 2.29 0.81 assign (resid 30 and name HN ) (resid 31 and name HN ) 3.86 1.96 1.14 assign (resid 30 and name HA ) (resid 31 and name HN ) 3.49 1.59 0.01 assign (resid 30 and name HA ) (resid 30 and name HN ) 3.66 1.76 1.34 assign (resid 30 and name HB1 ) (resid 30 and name HN ) 3.74 1.84 1.26 assign (resid 30 and name HB1 ) (resid 30 and name HA ) 3.45 1.55 0.05 assign (resid 30 and name HB2 ) (resid 30 and name HA ) 3.39 1.49 0.11 assign (resid 31 and name HA ) (resid 34 and name HN ) 3.26 1.36 0.24 assign (resid 31 and name HB2 ) (resid 31 and name HA ) 3.36 1.46 0.14 assign (resid 31 and name HB2 ) (resid 31 and name HN ) 3.55 1.65 1.45 assign (resid 31 and name HN ) (resid 32 and name HN ) 3.32 1.42 0.18 assign (resid 31 and name HA ) (resid 32 and name HN ) 3.60 1.70 1.40 assign (resid 31 and name HA ) (resid 31 and name HN ) 3.13 1.23 0.37 assign (resid 31 and name HB2 ) (resid 32 and name HN ) 4.21 2.31 0.79 assign (resid 32 and name HA ) (resid 33 and name HN ) 3.83 1.93 1.17 assign (resid 32 and name HB1 ) (resid 32 and name HN ) 3.86 1.96 1.14 assign (resid 32 and name HA ) (resid 32 and name HN ) 3.60 1.70 1.40 assign (resid 32 and name HG2 ) (resid 32 and name HN ) 4.25 2.35 0.75 assign (resid 33 and name HN ) (resid 34 and name HB1 ) 3.86 1.96 1.14 assign (resid 33 and name HB ) (resid 37 and name HN ) 4.48 2.58 0.52 assign (resid 33 and name HB ) (resid 33 and name HG2+ ) 2.89 0.99 1.61 assign (resid 33 and name HB ) (resid 33 and name HN ) 3.08 1.18 0.42 assign (resid 33 and name HB ) (resid 34 and name HN ) 4.22 2.32 0.78 assign (resid 33 and name HA ) (resid 33 and name HN ) 2.79 0.89 0.71 assign (resid 33 and name HG2+ ) (resid 34 and name HN ) 3.11 1.21 1.39 assign (resid 33 and name HA ) (resid 35 and name HB1 ) 4.17 2.27 0.83 assign (resid 33 and name HA ) (resid 36 and name HB1 ) 4.17 2.27 0.83 assign (resid 33 and name HA ) (resid 36 and name HG1 ) 4.63 2.73 0.37 assign (resid 33 and name HA ) (resid 34 and name HN ) 3.63 1.73 1.37 assign (resid 33 and name HG2+ ) (resid 33 and name HN ) 3.66 1.76 2.34 assign (resid 33 and name HA ) (resid 36 and name HN ) 2.79 0.89 0.71 assign (resid 33 and name HA ) (resid 33 and name HB ) 2.78 0.88 0.72 assign (resid 33 and name HA ) (resid 33 and name HG2+ ) 2.88 0.98 1.62 assign (resid 34 and name HA ) (resid 34 and name HN ) 3.63 1.73 1.37 assign (resid 34 and name HA ) (resid 51 and name HE2 ) 4.12 2.22 0.88 assign (resid 34 and name HA ) (resid 37 and name HB1 ) 4.63 2.73 0.37 assign (resid 34 and name HA ) (resid 35 and name HN ) 3.98 2.08 1.02 assign (resid 34 and name HN ) (resid 37 and name HN ) 4.33 2.43 0.67 assign (resid 34 and name HA ) (resid 55 and name HB1 ) 3.17 1.27 0.33 assign (resid 34 and name HB2 ) (resid 34 and name HA ) 3.17 1.27 0.33 assign (resid 34 and name HA ) (resid 51 and name HE1 ) 4.08 2.18 0.92 assign (resid 34 and name HA ) (resid 51 and name HZ ) 4.65 2.75 0.35 assign (resid 34 and name HB1 ) (resid 34 and name HA ) 3.73 1.83 1.27 assign (resid 35 and name HA ) (resid 35 and name HN ) 3.75 1.85 1.25 assign (resid 35 and name HN ) (resid 38 and name HN ) 3.58 1.68 1.42 assign (resid 35 and name HA ) (resid 39 and name HN ) 4.33 2.43 0.67 assign (resid 35 and name HN ) (resid 51 and name HE2 ) 4.43 2.53 0.57 assign (resid 35 and name HN ) (resid 37 and name HN ) 3.67 1.77 1.33 assign (resid 35 and name HB1 ) (resid 35 and name HN ) 3.33 1.43 0.17 assign (resid 35 and name HN ) (resid 51 and name HZ ) 4.35 2.45 0.65 assign (resid 36 and name HG2 ) (resid 36 and name HN ) 4.71 2.81 0.29 assign (resid 36 and name HB1 ) (resid 36 and name HN ) 3.69 1.79 1.31 assign (resid 36 and name HG1 ) (resid 36 and name HN ) 4.42 2.52 0.58 assign (resid 36 and name HA ) (resid 36 and name HN ) 3.42 1.52 0.08 assign (resid 36 and name HB2 ) (resid 36 and name HN ) 3.82 1.92 1.18 assign (resid 36 and name HB2 ) (resid 37 and name HN ) 3.68 1.78 1.32 assign (resid 36 and name HA ) (resid 38 and name HN ) 4.00 2.10 1.00 assign (resid 36 and name HN ) (resid 37 and name HN ) 3.63 1.73 1.37 assign (resid 37 and name HB1 ) (resid 37 and name HN ) 3.77 1.87 1.23 assign (resid 37 and name HB2 ) (resid 37 and name HN ) 3.57 1.67 1.43 assign (resid 37 and name HG1 ) (resid 51 and name HE2 ) 3.84 1.94 1.16 assign (resid 37 and name HG1 ) (resid 51 and name HZ ) 3.69 1.79 1.31 assign (resid 37 and name HB1 ) (resid 51 and name HE1 ) 3.99 2.09 1.01 assign (resid 37 and name HB1 ) (resid 51 and name HE2 ) 3.99 2.09 1.01 assign (resid 37 and name HA ) (resid 41 and name HG12 ) 4.11 2.21 0.89 assign (resid 37 and name HA ) (resid 39 and name HN ) 4.18 2.28 0.82 assign (resid 37 and name HA ) (resid 37 and name HN ) 3.11 1.21 0.39 assign (resid 37 and name HG1 ) (resid 37 and name HN ) 3.89 1.99 1.11 assign (resid 37 and name HB1 ) (resid 48 and name HN ) 3.73 1.83 1.27 assign (resid 37 and name HB1 ) (resid 51 and name HZ ) 3.78 1.88 1.22 assign (resid 38 and name HA ) (resid 51 and name HZ ) 4.95 3.05 0.05 assign (resid 38 and name HN ) (resid 39 and name HN ) 3.53 1.63 1.47 assign (resid 38 and name HN ) (resid 51 and name HZ ) 3.53 1.63 1.47 assign (resid 38 and name HB+ ) (resid 51 and name HD1 ) 3.16 1.26 2.34 assign (resid 38 and name HA ) (resid 41 and name HG11 ) 4.40 2.50 0.60 assign (resid 38 and name HB+ ) (resid 51 and name HE1 ) 3.22 1.32 1.28 assign (resid 38 and name HA ) (resid 41 and name HD1+ ) 3.35 1.45 1.15 assign (resid 38 and name HB+ ) (resid 51 and name HZ ) 4.55 2.65 1.45 assign (resid 38 and name HA ) (resid 41 and name HG12 ) 3.99 2.09 1.01 assign (resid 38 and name HB+ ) (resid 41 and name HD1+ ) 3.75 1.85 3.25 assign (resid 38 and name HB+ ) (resid 38 and name HN ) 2.95 1.05 1.55 assign (resid 38 and name HN ) (resid 41 and name HG11 ) 4.63 2.73 0.37 assign (resid 38 and name HA ) (resid 38 and name HB+ ) 3.25 1.35 1.25 assign (resid 38 and name HN ) (resid 48 and name HG2+ ) 4.63 2.73 1.37 assign (resid 38 and name HA ) (resid 39 and name HN ) 4.01 2.11 0.99 assign (resid 38 and name HA ) (resid 38 and name HN ) 3.54 1.64 1.46 assign (resid 38 and name HA ) (resid 51 and name HE1 ) 3.80 1.90 1.20 assign (resid 38 and name HN ) (resid 51 and name HE1 ) 4.12 2.22 0.88 assign (resid 39 and name HA ) (resid 40 and name HN ) 4.47 2.57 0.53 assign (resid 39 and name HA ) (resid 39 and name HB+ ) 2.89 0.99 1.61 assign (resid 39 and name HB+ ) (resid 40 and name HN ) 3.83 1.93 2.17 assign (resid 39 and name HA ) (resid 39 and name HN ) 3.36 1.46 0.14 assign (resid 39 and name HB+ ) (resid 39 and name HN ) 2.87 0.97 1.63 assign (resid 39 and name HN ) (resid 40 and name HN ) 3.60 1.70 1.40 assign (resid 40 and name HB1 ) (resid 40 and name HN ) 4.09 2.19 0.91 assign (resid 40 and name HB2 ) (resid 40 and name HN ) 3.48 1.58 0.02 assign (resid 40 and name HA ) (resid 41 and name HN ) 4.35 2.45 0.65 assign (resid 40 and name HA ) (resid 40 and name HN ) 3.69 1.79 1.31 assign (resid 40 and name HA ) (resid 40 and name HG1 ) 3.56 1.66 1.44 assign (resid 40 and name HG1 ) (resid 40 and name HN ) 4.10 2.20 0.90 assign (resid 40 and name HN ) (resid 41 and name HN ) 3.53 1.63 1.47 assign (resid 41 and name HA ) (resid 42 and name HN ) 3.31 1.41 0.19 assign (resid 41 and name HD1+ ) (resid 41 and name HN ) 3.51 1.61 2.49 assign (resid 41 and name HD1+ ) (resid 51 and name HE1 ) 3.64 1.74 2.36 assign (resid 41 and name HG2+ ) (resid 44 and name HN ) 3.88 1.98 2.12 assign (resid 41 and name HG12 ) (resid 45 and name HD2 ) 3.12 1.22 0.38 assign (resid 41 and name HD1+ ) (resid 48 and name HD1+ ) 4.29 2.39 2.71 assign (resid 41 and name HG2+ ) (resid 41 and name HN ) 3.73 1.83 2.27 assign (resid 41 and name HB ) (resid 41 and name HG11 ) 3.32 1.42 0.18 assign (resid 41 and name HG12 ) (resid 41 and name HD1+ ) 3.61 1.71 2.39 assign (resid 41 and name HD1+ ) (resid 48 and name HG12 ) 4.87 2.97 1.13 assign (resid 41 and name HB ) (resid 41 and name HD1+ ) 3.73 1.83 2.27 assign (resid 41 and name HG11 ) (resid 41 and name HN ) 3.56 1.66 1.44 assign (resid 41 and name HA ) (resid 41 and name HG11 ) 3.11 1.21 0.39 assign (resid 41 and name HG11 ) (resid 48 and name HB ) 3.10 1.20 0.40 assign (resid 41 and name HB ) (resid 41 and name HN ) 3.46 1.56 0.04 assign (resid 41 and name HA ) (resid 41 and name HG12 ) 3.75 1.85 1.25 assign (resid 41 and name HA ) (resid 44 and name HN ) 3.62 1.72 1.38 assign (resid 41 and name HG12 ) (resid 41 and name HN ) 3.75 1.85 1.25 assign (resid 41 and name HA ) (resid 48 and name HG2+ ) 3.11 1.21 1.39 assign (resid 41 and name HB ) (resid 41 and name HG12 ) 3.95 2.05 1.05 assign (resid 41 and name HA ) (resid 41 and name HN ) 3.97 2.07 1.03 assign (resid 41 and name HG2+ ) (resid 43 and name HN ) 3.22 1.32 1.28 assign (resid 41 and name HG2+ ) (resid 44 and name HA1 ) 3.11 1.21 1.39 assign (resid 41 and name HG11 ) (resid 41 and name HD1+ ) 2.96 1.06 1.54 assign (resid 41 and name HG2+ ) (resid 41 and name HD1+ ) 2.96 1.06 2.54 assign (resid 41 and name HA ) (resid 41 and name HG2+ ) 3.11 1.21 1.39 assign (resid 41 and name HB ) (resid 41 and name HG2+ ) 3.32 1.42 1.18 assign (resid 41 and name HG2+ ) (resid 42 and name HN ) 3.89 1.99 2.11 assign (resid 41 and name HA ) (resid 43 and name HN ) 4.59 2.69 0.41 assign (resid 41 and name HD1+ ) (resid 48 and name HG2+ ) 3.39 1.49 2.11 assign (resid 41 and name HD1+ ) (resid 48 and name HA ) 3.79 1.89 2.21 assign (resid 41 and name HB ) (resid 48 and name HD1+ ) 4.06 2.16 1.94 assign (resid 41 and name HA ) (resid 41 and name HD1+ ) 3.78 1.88 2.22 assign (resid 42 and name HB2 ) (resid 42 and name HN ) 4.40 2.50 0.60 assign (resid 42 and name HA ) (resid 43 and name HN ) 3.87 1.97 1.13 assign (resid 42 and name HB2 ) (resid 42 and name HA ) 3.07 1.17 0.43 assign (resid 42 and name HA ) (resid 42 and name HN ) 3.80 1.90 1.20 assign (resid 42 and name HB1 ) (resid 42 and name HN ) 4.52 2.62 0.48 assign (resid 42 and name HB1 ) (resid 42 and name HA ) 3.12 1.22 0.38 assign (resid 42 and name HN ) (resid 43 and name HN ) 4.17 2.27 0.83 assign (resid 43 and name HA ) (resid 44 and name HN ) 3.77 1.87 1.23 assign (resid 43 and name HN ) (resid 44 and name HN ) 4.13 2.23 0.87 assign (resid 43 and name HB1 ) (resid 44 and name HN ) 4.46 2.56 0.54 assign (resid 43 and name HA ) (resid 43 and name HN ) 3.76 1.86 1.24 assign (resid 43 and name HB1 ) (resid 43 and name HN ) 3.98 2.08 1.02 assign (resid 43 and name HG ) (resid 43 and name HD2+ ) 3.64 1.74 2.36 assign (resid 43 and name HD1+ ) (resid 45 and name HG1 ) 3.46 1.56 1.04 assign (resid 43 and name HD1+ ) (resid 45 and name HB1 ) 3.46 1.56 1.04 assign (resid 43 and name HG ) (resid 43 and name HN ) 3.57 1.67 1.43 assign (resid 43 and name HG ) (resid 43 and name HD1+ ) 2.87 0.97 1.63 assign (resid 43 and name HA ) (resid 43 and name HD1+ ) 3.09 1.19 1.41 assign (resid 43 and name HD1+ ) (resid 43 and name HN ) 4.13 2.23 1.87 assign (resid 43 and name HD1+ ) (resid 45 and name HD1 ) 3.72 1.82 2.28 assign (resid 43 and name HD2+ ) (resid 43 and name HN ) 3.79 1.89 2.21 assign (resid 43 and name HB1 ) (resid 43 and name HD1+ ) 4.81 2.91 1.19 assign (resid 44 and name HA2 ) (resid 44 and name HN ) 3.67 1.77 1.33 assign (resid 44 and name HA1 ) (resid 48 and name HG11 ) 3.29 1.39 0.21 assign (resid 44 and name HA2 ) (resid 45 and name HD1 ) 3.76 1.86 1.24 assign (resid 44 and name HA2 ) (resid 45 and name HD2 ) 3.75 1.85 1.25 assign (resid 44 and name HA1 ) (resid 44 and name HN ) 3.60 1.70 1.40 assign (resid 44 and name HA1 ) (resid 45 and name HD1 ) 4.01 2.11 0.99 assign (resid 45 and name HD2 ) (resid 48 and name HG11 ) 4.48 2.58 0.52 assign (resid 45 and name HD1 ) (resid 45 and name HB1 ) 3.72 1.82 1.28 assign (resid 45 and name HD1 ) (resid 45 and name HG1 ) 3.72 1.82 1.28 assign (resid 45 and name HD1 ) (resid 45 and name HA ) 4.32 2.42 0.68 assign (resid 45 and name HB1 ) (resid 46 and name HN ) 4.03 2.13 0.97 assign (resid 45 and name HD2 ) (resid 45 and name HA ) 3.81 1.91 1.19 assign (resid 46 and name HB1 ) (resid 46 and name HN ) 3.64 1.74 1.36 assign (resid 46 and name HA ) (resid 46 and name HN ) 3.86 1.96 1.14 assign (resid 46 and name HN ) (resid 47 and name HN ) 3.80 1.90 1.20 assign (resid 46 and name HA ) (resid 47 and name HN ) 4.20 2.30 0.80 assign (resid 46 and name HA ) (resid 49 and name HN ) 3.96 2.06 1.04 assign (resid 46 and name HB1 ) (resid 47 and name HN ) 3.81 1.91 1.19 assign (resid 47 and name HB1 ) (resid 51 and name HE2 ) 3.76 1.86 1.24 assign (resid 47 and name HA ) (resid 51 and name HN ) 4.68 2.78 0.32 assign (resid 47 and name HB1 ) (resid 47 and name HA ) 3.60 1.70 1.40 assign (resid 47 and name HA ) (resid 47 and name HN ) 3.13 1.23 0.37 assign (resid 47 and name HA ) (resid 48 and name HN ) 3.08 1.18 0.42 assign (resid 47 and name HB2 ) (resid 47 and name HA ) 4.10 2.20 0.90 assign (resid 47 and name HA ) (resid 50 and name HB+ ) 3.00 1.10 1.50 assign (resid 47 and name HB2 ) (resid 47 and name HN ) 3.59 1.69 1.41 assign (resid 47 and name HA ) (resid 51 and name HB2 ) 3.60 1.70 1.40 assign (resid 47 and name HN ) (resid 48 and name HN ) 3.61 1.71 1.39 assign (resid 47 and name HB1 ) (resid 48 and name HN ) 4.09 2.19 0.91 assign (resid 47 and name HB1 ) (resid 47 and name HN ) 3.52 1.62 1.48 assign (resid 48 and name HA ) (resid 51 and name HD1 ) 4.76 2.86 0.24 assign (resid 48 and name HG2+ ) (resid 49 and name HN ) 3.53 1.63 2.47 assign (resid 48 and name HA ) (resid 48 and name HG12 ) 4.46 2.56 0.54 assign (resid 48 and name HG12 ) (resid 48 and name HN ) 3.59 1.69 1.41 assign (resid 48 and name HA ) (resid 48 and name HN ) 3.74 1.84 1.26 assign (resid 48 and name HA ) (resid 48 and name HB ) 5.11 3.21 -0.11 assign (resid 48 and name HA ) (resid 51 and name HE1 ) 4.55 2.65 0.45 assign (resid 48 and name HG2+ ) (resid 51 and name HD1 ) 3.56 1.66 2.44 assign (resid 48 and name HG2+ ) (resid 51 and name HZ ) 3.73 1.83 2.27 assign (resid 48 and name HN ) (resid 49 and name HN ) 3.82 1.92 1.18 assign (resid 48 and name HD1+ ) (resid 48 and name HN ) 3.91 2.01 2.09 assign (resid 48 and name HG2+ ) (resid 51 and name HE1 ) 4.77 2.87 1.23 assign (resid 48 and name HG2+ ) (resid 48 and name HN ) 3.58 1.68 2.42 assign (resid 48 and name HG12 ) (resid 48 and name HD1+ ) 3.36 1.46 1.14 assign (resid 48 and name HA ) (resid 48 and name HG2+ ) 3.74 1.84 2.26 assign (resid 48 and name HG2+ ) (resid 48 and name HD1+ ) 2.87 0.97 2.63 assign (resid 48 and name HA ) (resid 51 and name HB2 ) 4.16 2.26 0.84 assign (resid 48 and name HD1+ ) (resid 49 and name HG1 ) 3.36 1.46 1.14 assign (resid 48 and name HB ) (resid 48 and name HN ) 3.49 1.59 0.01 assign (resid 48 and name HA ) (resid 52 and name HN ) 4.69 2.79 0.31 assign (resid 48 and name HA ) (resid 48 and name HD1+ ) 4.03 2.13 1.97 assign (resid 48 and name HA ) (resid 51 and name HN ) 4.31 2.41 0.69 assign (resid 48 and name HB ) (resid 48 and name HD1+ ) 3.53 1.63 2.47 assign (resid 48 and name HA ) (resid 48 and name HG11 ) 4.22 2.32 0.78 assign (resid 48 and name HG11 ) (resid 48 and name HD1+ ) 3.54 1.64 2.46 assign (resid 48 and name HB ) (resid 48 and name HG2+ ) 3.10 1.20 1.40 assign (resid 48 and name HB ) (resid 49 and name HN ) 3.56 1.66 1.44 assign (resid 49 and name HG2 ) (resid 49 and name HN ) 3.56 1.66 1.44 assign (resid 49 and name HA ) (resid 52 and name HB ) 3.57 1.67 1.43 assign (resid 49 and name HA ) (resid 52 and name HG2+ ) 4.29 2.39 1.71 assign (resid 49 and name HB1 ) (resid 49 and name HN ) 3.19 1.29 0.31 assign (resid 49 and name HB1 ) (resid 50 and name HN ) 3.86 1.96 1.14 assign (resid 49 and name HG1 ) (resid 49 and name HN ) 3.97 2.07 1.03 assign (resid 49 and name HA ) (resid 52 and name HN ) 4.24 2.34 0.76 assign (resid 49 and name HA ) (resid 49 and name HN ) 3.35 1.45 0.15 assign (resid 49 and name HN ) (resid 50 and name HN ) 3.72 1.82 1.28 assign (resid 49 and name HA ) (resid 50 and name HN ) 4.14 2.24 0.86 assign (resid 50 and name HA ) (resid 50 and name HB+ ) 3.00 1.10 1.50 assign (resid 50 and name HA ) (resid 72 and name HN ) 3.29 1.39 0.21 assign (resid 50 and name HB+ ) (resid 50 and name HN ) 3.13 1.23 1.37 assign (resid 50 and name HA ) (resid 50 and name HN ) 3.50 1.60 1.50 assign (resid 50 and name HN ) (resid 51 and name HN ) 3.86 1.96 1.14 assign (resid 50 and name HA ) (resid 53 and name HN ) 4.62 2.72 0.38 assign (resid 50 and name HB+ ) (resid 52 and name HN ) 4.02 2.12 1.98 assign (resid 50 and name HB+ ) (resid 51 and name HN ) 3.52 1.62 2.48 assign (resid 51 and name HE1 ) (resid 51 and name HZ ) 2.92 1.02 0.58 assign (resid 51 and name HB1 ) (resid 51 and name HD1 ) 4.00 2.10 1.00 assign (resid 51 and name HB1 ) (resid 51 and name HD2 ) 4.00 2.10 1.00 assign (resid 51 and name HA ) (resid 51 and name HD1 ) 3.95 2.05 1.05 assign (resid 51 and name HB1 ) (resid 51 and name HE2 ) 4.00 2.10 1.00 assign (resid 51 and name HN ) (resid 52 and name HB ) 4.66 2.76 0.34 assign (resid 51 and name HA ) (resid 51 and name HD2 ) 3.95 2.05 1.05 assign (resid 51 and name HE1 ) (resid 55 and name HB1 ) 3.74 1.84 1.26 assign (resid 51 and name HD1 ) (resid 52 and name HB ) 4.46 2.56 0.54 assign (resid 51 and name HD1 ) (resid 52 and name HA ) 3.58 1.68 1.42 assign (resid 51 and name HE1 ) (resid 52 and name HA ) 3.58 1.68 1.42 assign (resid 51 and name HD1 ) (resid 52 and name HN ) 4.11 2.21 0.89 assign (resid 51 and name HB2 ) (resid 51 and name HA ) 3.73 1.83 1.27 assign (resid 51 and name HB1 ) (resid 51 and name HN ) 3.83 1.93 1.17 assign (resid 51 and name HB2 ) (resid 51 and name HN ) 3.67 1.77 1.33 assign (resid 51 and name HB2 ) (resid 51 and name HD1 ) 3.43 1.53 0.07 assign (resid 51 and name HB2 ) (resid 51 and name HD2 ) 3.43 1.53 0.07 assign (resid 51 and name HA ) (resid 51 and name HN ) 3.82 1.92 1.18 assign (resid 51 and name HE1 ) (resid 55 and name HB2 ) 5.03 3.13 -0.03 assign (resid 51 and name HN ) (resid 52 and name HN ) 4.00 2.10 1.00 assign (resid 51 and name HN ) (resid 51 and name HD1 ) 4.32 2.42 0.68 assign (resid 51 and name HB2 ) (resid 52 and name HN ) 4.30 2.40 0.70 assign (resid 51 and name HB1 ) (resid 52 and name HN ) 4.15 2.25 0.85 assign (resid 51 and name HD1 ) (resid 55 and name HB1 ) 3.75 1.85 1.25 assign (resid 51 and name HB2 ) (resid 54 and name HB1 ) 3.21 1.31 0.29 assign (resid 52 and name HB ) (resid 52 and name HG2+ ) 2.99 1.09 1.51 assign (resid 52 and name HA ) (resid 52 and name HG2+ ) 3.23 1.33 1.27 assign (resid 52 and name HG2+ ) (resid 56 and name HG1+ ) 4.11 2.21 2.89 assign (resid 52 and name HG2+ ) (resid 53 and name HN ) 4.10 2.20 1.90 assign (resid 52 and name HA ) (resid 55 and name HN ) 4.13 2.23 0.87 assign (resid 52 and name HA ) (resid 56 and name HG1+ ) 3.23 1.33 1.27 assign (resid 52 and name HB ) (resid 53 and name HN ) 3.69 1.79 1.31 assign (resid 52 and name HG2+ ) (resid 53 and name HA ) 3.88 1.98 2.12 assign (resid 52 and name HB ) (resid 52 and name HN ) 3.54 1.64 1.46 assign (resid 52 and name HG2+ ) (resid 52 and name HN ) 4.05 2.15 1.95 assign (resid 52 and name HA ) (resid 56 and name HN ) 3.72 1.82 1.28 assign (resid 52 and name HA ) (resid 52 and name HB ) 3.66 1.76 1.34 assign (resid 52 and name HA ) (resid 55 and name HB2 ) 3.93 2.03 1.07 assign (resid 52 and name HA ) (resid 55 and name HB1 ) 3.72 1.82 1.28 assign (resid 52 and name HA ) (resid 52 and name HN ) 3.80 1.90 1.20 assign (resid 52 and name HN ) (resid 53 and name HN ) 4.09 2.19 0.91 assign (resid 53 and name HA ) (resid 56 and name HN ) 4.24 2.34 0.76 assign (resid 53 and name HA ) (resid 57 and name HN ) 3.11 1.21 0.39 assign (resid 53 and name HA ) (resid 54 and name HN ) 3.80 1.90 1.20 assign (resid 53 and name HA ) (resid 71 and name HN ) 4.26 2.36 0.74 assign (resid 53 and name HN ) (resid 54 and name HN ) 4.26 2.36 0.74 assign (resid 53 and name HA ) (resid 70 and name HG2 ) 3.81 1.91 1.19 assign (resid 53 and name HA ) (resid 56 and name HG2+ ) 3.64 1.74 2.36 assign (resid 53 and name HA ) (resid 53 and name HN ) 3.57 1.67 1.43 assign (resid 53 and name HA ) (resid 56 and name HG1+ ) 4.08 2.18 1.92 assign (resid 54 and name HB2 ) (resid 54 and name HA ) 3.62 1.72 1.38 assign (resid 54 and name HA ) (resid 57 and name HG1+ ) 4.32 2.42 1.68 assign (resid 54 and name HA ) (resid 71 and name HB1 ) 3.75 1.85 1.25 assign (resid 54 and name HB2 ) (resid 72 and name HA ) 3.73 1.83 1.27 assign (resid 54 and name HN ) (resid 55 and name HN ) 4.01 2.11 0.99 assign (resid 54 and name HB2 ) (resid 72 and name HB2 ) 2.74 0.84 0.76 assign (resid 54 and name HB2 ) (resid 54 and name HN ) 4.09 2.19 0.91 assign (resid 54 and name HB2 ) (resid 71 and name HB1 ) 2.74 0.84 0.76 assign (resid 55 and name HB1 ) (resid 55 and name HN ) 3.73 1.83 1.27 assign (resid 55 and name HA ) (resid 55 and name HN ) 3.71 1.81 1.29 assign (resid 55 and name HB2 ) (resid 55 and name HA ) 3.81 1.91 1.19 assign (resid 55 and name HN ) (resid 56 and name HN ) 4.20 2.30 0.80 assign (resid 55 and name HA ) (resid 58 and name HN ) 3.80 1.90 1.20 assign (resid 55 and name HB1 ) (resid 56 and name HA ) 3.72 1.82 1.28 assign (resid 55 and name HA ) (resid 56 and name HN ) 4.24 2.34 0.76 assign (resid 55 and name HB1 ) (resid 56 and name HN ) 4.35 2.45 0.65 assign (resid 55 and name HB2 ) (resid 55 and name HN ) 3.67 1.77 1.33 assign (resid 56 and name HA ) (resid 56 and name HG2+ ) 2.97 1.07 1.53 assign (resid 56 and name HG2+ ) (resid 70 and name HB1 ) 3.18 1.28 1.32 assign (resid 56 and name HA ) (resid 56 and name HN ) 3.72 1.82 1.28 assign (resid 56 and name HA ) (resid 59 and name HN ) 4.12 2.22 0.88 assign (resid 56 and name HG2+ ) (resid 56 and name HN ) 3.35 1.45 1.15 assign (resid 56 and name HG1+ ) (resid 56 and name HN ) 3.92 2.02 2.08 assign (resid 56 and name HN ) (resid 57 and name HN ) 4.51 2.61 0.49 assign (resid 56 and name HB ) (resid 56 and name HN ) 3.76 1.86 1.24 assign (resid 56 and name HA ) (resid 59 and name HB1 ) 4.14 2.24 0.86 assign (resid 56 and name HB ) (resid 56 and name HG1+ ) 3.38 1.48 1.12 assign (resid 56 and name HA ) (resid 56 and name HB ) 3.64 1.74 1.36 assign (resid 56 and name HA ) (resid 56 and name HG1+ ) 3.23 1.33 1.27 assign (resid 56 and name HA ) (resid 57 and name HN ) 4.63 2.73 0.37 assign (resid 56 and name HG1+ ) (resid 57 and name HN ) 4.48 2.58 1.52 assign (resid 56 and name HG2+ ) (resid 57 and name HA ) 2.96 1.06 1.54 assign (resid 56 and name HA ) (resid 59 and name HB2 ) 4.23 2.33 0.77 assign (resid 56 and name HB ) (resid 56 and name HG2+ ) 3.12 1.22 1.38 assign (resid 56 and name HG2+ ) (resid 57 and name HB ) 3.24 1.34 1.26 assign (resid 56 and name HG2+ ) (resid 56 and name HG1+ ) 2.69 0.79 2.01 assign (resid 56 and name HB ) (resid 57 and name HN ) 3.88 1.98 1.12 assign (resid 57 and name HN ) (resid 71 and name HN ) 3.67 1.77 1.33 assign (resid 57 and name HA ) (resid 58 and name HN ) 3.87 1.97 1.13 assign (resid 57 and name HN ) (resid 70 and name HB2 ) 3.89 1.99 1.11 assign (resid 57 and name HG1+ ) (resid 57 and name HN ) 3.34 1.44 1.16 assign (resid 57 and name HG2+ ) (resid 57 and name HN ) 4.23 2.33 1.77 assign (resid 57 and name HG2+ ) (resid 61 and name HN ) 3.61 1.71 2.39 assign (resid 57 and name HB ) (resid 58 and name HN ) 3.66 1.76 1.34 assign (resid 57 and name HB ) (resid 57 and name HN ) 3.68 1.78 1.32 assign (resid 57 and name HA ) (resid 60 and name HN ) 4.26 2.36 0.74 assign (resid 57 and name HA ) (resid 57 and name HN ) 3.83 1.93 1.17 assign (resid 57 and name HA ) (resid 57 and name HB ) 3.82 1.92 1.18 assign (resid 57 and name HN ) (resid 58 and name HN ) 3.82 1.92 1.18 assign (resid 57 and name HG2+ ) (resid 61 and name HG ) 2.60 0.70 1.10 assign (resid 57 and name HB ) (resid 57 and name HG2+ ) 2.60 0.70 1.10 assign (resid 57 and name HG1+ ) (resid 58 and name HA ) 4.32 2.42 1.68 assign (resid 57 and name HA ) (resid 57 and name HG2+ ) 3.20 1.30 1.30 assign (resid 57 and name HG1+ ) (resid 70 and name HB1 ) 3.18 1.28 1.32 assign (resid 57 and name HG1+ ) (resid 71 and name HB2 ) 3.99 2.09 2.01 assign (resid 57 and name HG1+ ) (resid 57 and name HG2+ ) 2.81 0.91 2.69 assign (resid 57 and name HG2+ ) (resid 58 and name HA ) 3.38 1.48 1.12 assign (resid 57 and name HA ) (resid 57 and name HG1+ ) 2.96 1.06 1.54 assign (resid 57 and name HG2+ ) (resid 58 and name HN ) 3.69 1.79 2.31 assign (resid 57 and name HB ) (resid 57 and name HG1+ ) 3.24 1.34 1.26 assign (resid 57 and name HG1+ ) (resid 58 and name HN ) 4.03 2.13 1.97 assign (resid 58 and name HB+ ) (resid 58 and name HN ) 2.92 1.02 1.58 assign (resid 58 and name HB+ ) (resid 59 and name HN ) 2.92 1.02 1.58 assign (resid 58 and name HA ) (resid 62 and name HN ) 4.06 2.16 0.94 assign (resid 58 and name HA ) (resid 59 and name HN ) 3.08 1.18 0.42 assign (resid 58 and name HA ) (resid 58 and name HN ) 3.08 1.18 0.42 assign (resid 58 and name HA ) (resid 61 and name HN ) 3.85 1.95 1.15 assign (resid 59 and name HN ) (resid 60 and name HN ) 3.63 1.73 1.37 assign (resid 59 and name HB1 ) (resid 59 and name HN ) 3.51 1.61 1.49 assign (resid 59 and name HB2 ) (resid 60 and name HN ) 3.19 1.29 0.31 assign (resid 59 and name HB2 ) (resid 60 and name HA ) 3.00 1.10 0.50 assign (resid 59 and name HB2 ) (resid 59 and name HA ) 3.26 1.36 0.24 assign (resid 59 and name HB2 ) (resid 59 and name HN ) 3.08 1.18 0.42 assign (resid 59 and name HA ) (resid 60 and name HN ) 4.07 2.17 0.93 assign (resid 59 and name HA ) (resid 59 and name HN ) 3.37 1.47 0.13 assign (resid 59 and name HB1 ) (resid 60 and name HN ) 3.08 1.18 0.42 assign (resid 60 and name HN ) (resid 61 and name HN ) 3.50 1.60 1.50 assign (resid 60 and name HA ) (resid 64 and name HN ) 4.20 2.30 0.80 assign (resid 60 and name HA ) (resid 63 and name HN ) 3.56 1.66 1.44 assign (resid 60 and name HA ) (resid 63 and name HB+ ) 3.16 1.26 1.34 assign (resid 60 and name HA ) (resid 60 and name HN ) 3.08 1.18 0.42 assign (resid 61 and name HA ) (resid 65 and name HG12 ) 3.16 1.26 0.34 assign (resid 61 and name HN ) (resid 62 and name HN ) 3.64 1.74 1.36 assign (resid 61 and name HB1 ) (resid 62 and name HN ) 4.22 2.32 0.78 assign (resid 61 and name HB1 ) (resid 61 and name HN ) 3.81 1.91 1.19 assign (resid 61 and name HA ) (resid 65 and name HG2+ ) 2.96 1.06 1.54 assign (resid 61 and name HG ) (resid 61 and name HN ) 3.19 1.29 0.31 assign (resid 61 and name HA ) (resid 61 and name HN ) 3.47 1.57 0.03 assign (resid 61 and name HG ) (resid 65 and name HG2+ ) 2.60 0.70 1.10 assign (resid 61 and name HN ) (resid 63 and name HN ) 4.61 2.71 0.39 assign (resid 61 and name HG ) (resid 62 and name HN ) 3.18 1.28 0.32 assign (resid 62 and name HA ) (resid 65 and name HG2+ ) 2.96 1.06 1.54 assign (resid 62 and name HA ) (resid 65 and name HN ) 3.13 1.23 0.37 assign (resid 62 and name HG1 ) (resid 62 and name HN ) 3.18 1.28 0.32 assign (resid 62 and name HA ) (resid 63 and name HN ) 3.56 1.66 1.44 assign (resid 62 and name HG1 ) (resid 63 and name HN ) 3.99 2.09 1.01 assign (resid 62 and name HB1 ) (resid 62 and name HN ) 4.13 2.23 0.87 assign (resid 62 and name HN ) (resid 63 and name HN ) 3.80 1.90 1.20 assign (resid 62 and name HA ) (resid 65 and name HG12 ) 3.16 1.26 0.34 assign (resid 63 and name HN ) (resid 64 and name HN ) 3.79 1.89 1.21 assign (resid 63 and name HA ) (resid 64 and name HN ) 3.73 1.83 1.27 assign (resid 63 and name HB+ ) (resid 63 and name HN ) 3.04 1.14 1.46 assign (resid 63 and name HA ) (resid 63 and name HB+ ) 2.83 0.93 1.67 assign (resid 63 and name HA ) (resid 63 and name HN ) 3.55 1.65 1.45 assign (resid 63 and name HB+ ) (resid 64 and name HN ) 3.64 1.74 2.36 assign (resid 64 and name HB2 ) (resid 64 and name HN ) 4.33 2.43 0.67 assign (resid 64 and name HA ) (resid 64 and name HN ) 3.54 1.64 1.46 assign (resid 64 and name HB2 ) (resid 64 and name HA ) 3.50 1.60 1.50 assign (resid 64 and name HA ) (resid 65 and name HN ) 3.56 1.66 1.44 assign (resid 64 and name HB1 ) (resid 67 and name HN ) 4.28 2.38 0.72 assign (resid 64 and name HN ) (resid 65 and name HN ) 4.03 2.13 0.97 assign (resid 64 and name HB1 ) (resid 64 and name HA ) 3.20 1.30 0.30 assign (resid 64 and name HB1 ) (resid 64 and name HN ) 3.93 2.03 1.07 assign (resid 64 and name HB1 ) (resid 65 and name HA ) 3.91 2.01 1.09 assign (resid 65 and name HG2+ ) (resid 66 and name HN ) 4.02 2.12 1.98 assign (resid 65 and name HG12 ) (resid 65 and name HD1+ ) 3.21 1.31 1.29 assign (resid 65 and name HB ) (resid 65 and name HN ) 3.47 1.57 0.03 assign (resid 65 and name HB ) (resid 65 and name HG2+ ) 2.60 0.70 1.10 assign (resid 65 and name HA ) (resid 65 and name HN ) 3.13 1.23 0.37 assign (resid 65 and name HB ) (resid 65 and name HD1+ ) 2.60 0.70 1.10 assign (resid 65 and name HN ) (resid 66 and name HN ) 4.11 2.21 0.89 assign (resid 65 and name HA ) (resid 66 and name HN ) 3.29 1.39 0.21 assign (resid 65 and name HA ) (resid 67 and name HN ) 4.09 2.19 0.91 assign (resid 65 and name HG12 ) (resid 65 and name HG2+ ) 3.21 1.31 1.29 assign (resid 65 and name HG12 ) (resid 65 and name HN ) 3.94 2.04 1.06 assign (resid 65 and name HG11 ) (resid 65 and name HN ) 4.24 2.34 0.76 assign (resid 65 and name HG2+ ) (resid 65 and name HN ) 3.91 2.01 2.09 assign (resid 65 and name HA ) (resid 65 and name HG11 ) 4.00 2.10 1.00 assign (resid 65 and name HA ) (resid 65 and name HG12 ) 3.16 1.26 0.34 assign (resid 66 and name HA ) (resid 67 and name HN ) 3.99 2.09 1.01 assign (resid 66 and name HA ) (resid 66 and name HN ) 3.69 1.79 1.31 assign (resid 66 and name HB2 ) (resid 66 and name HA ) 3.16 1.26 0.34 assign (resid 66 and name HB2 ) (resid 66 and name HN ) 3.70 1.80 1.30 assign (resid 67 and name HA ) (resid 68 and name HN ) 3.21 1.31 0.29 assign (resid 67 and name HB1 ) (resid 67 and name HA ) 4.30 2.40 0.70 assign (resid 67 and name HA ) (resid 67 and name HD2 ) 3.26 1.36 0.24 assign (resid 67 and name HA ) (resid 67 and name HN ) 3.13 1.23 0.37 assign (resid 68 and name HA ) (resid 69 and name HN ) 3.38 1.48 0.12 assign (resid 68 and name HA ) (resid 68 and name HN ) 4.04 2.14 0.96 assign (resid 69 and name HA ) (resid 70 and name HN ) 3.81 1.91 1.19 assign (resid 69 and name HA ) (resid 69 and name HN ) 3.98 2.08 1.02 assign (resid 69 and name HB2 ) (resid 69 and name HA ) 4.61 2.71 0.39 assign (resid 69 and name HB1 ) (resid 69 and name HA ) 3.27 1.37 0.23 assign (resid 69 and name HB2 ) (resid 69 and name HN ) 3.55 1.65 1.45 assign (resid 69 and name HB1 ) (resid 69 and name HN ) 4.34 2.44 0.66 assign (resid 70 and name HB2 ) (resid 71 and name HN ) 3.33 1.43 0.17 assign (resid 70 and name HA ) (resid 70 and name HN ) 4.61 2.71 0.39 assign (resid 70 and name HA ) (resid 71 and name HN ) 3.86 1.96 1.14 assign (resid 71 and name HA ) (resid 71 and name HN ) 3.98 2.08 1.02 assign (resid 71 and name HB1 ) (resid 72 and name HA ) 3.17 1.27 0.33 assign (resid 71 and name HA ) (resid 72 and name HB1 ) 4.47 2.57 0.53 assign (resid 71 and name HB1 ) (resid 71 and name HA ) 3.17 1.27 0.33 assign (resid 71 and name HB2 ) (resid 72 and name HA ) 4.47 2.57 0.53 assign (resid 71 and name HB2 ) (resid 71 and name HA ) 4.47 2.57 0.53 assign (resid 72 and name HB2 ) (resid 72 and name HA ) 3.17 1.27 0.33 assign (resid 72 and name HB2 ) (resid 73 and name HA ) 3.50 1.60 0.00 assign (resid 72 and name HB1 ) (resid 72 and name HA ) 4.47 2.57 0.53 assign (resid 73 and name HA ) (resid 73 and name HN ) 3.69 1.79 1.31 assign (resid 73 and name HA ) (resid 74 and name HN ) 4.05 2.15 0.95 assign (resid 74 and name HA1 ) (resid 74 and name HN ) 4.37 2.47 0.63 assign (resid 74 and name HA2 ) (resid 74 and name HN ) 4.37 2.47 0.63 assign (resid 75 and name HA ) (resid 75 and name HG1 ) 3.16 1.26 0.34
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