NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
24881 |
2k5d   |
15829 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! Final combined constraints used in the CNS refinement of SaR32[1-108] ! Distance constraints; sum averaging ! 06/26/08 assign (resid 32 and name HD22 ) (resid 38 and name HA ) 4.39 2.59 0.44 assign (resid 32 and name HD21 ) (resid 38 and name HA ) 4.39 2.59 0.44 assign (resid 32 and name HD22 ) (resid 38 and name HB2 ) 4.51 2.71 0.45 assign (resid 32 and name HD21 ) (resid 38 and name HB2 ) 4.51 2.71 0.45 assign (resid 32 and name HB2 ) (resid 32 and name HD21 ) 3.58 1.78 0.36 assign (resid 32 and name HA ) (resid 32 and name HD22 ) 4.56 2.76 0.46 assign (resid 32 and name HA ) (resid 32 and name HD21 ) 4.56 2.76 0.46 assign (resid 72 and name HE* ) (resid 73 and name HD21 ) 4.24 2.44 0.42 assign (resid 72 and name HE* ) (resid 73 and name HD22 ) 4.24 2.44 0.42 assign (resid 31 and name HE21 ) (resid 35 and name HA2 ) 4.64 2.84 0.46 assign (resid 92 and name HG* ) (resid 92 and name HE21 ) 4.03 2.23 0.40 assign (resid 2 and name HA ) (resid 3 and name HN ) 3.10 1.30 0.31 assign (resid 30 and name HN ) (resid 38 and name HB1 ) 4.24 2.44 0.42 assign (resid 38 and name HA ) (resid 39 and name HN ) 2.81 1.01 0.28 assign (resid 44 and name HA ) (resid 45 and name HN ) 3.36 1.56 0.34 assign (resid 20 and name HA ) (resid 76 and name HN ) 4.37 2.57 0.44 assign (resid 5 and name HN ) (resid 5 and name HB* ) 3.32 1.52 0.33 assign (resid 8 and name HN ) (resid 8 and name HB ) 3.77 1.97 0.38 assign (resid 9 and name HN ) (resid 9 and name HB ) 3.36 1.56 0.34 assign (resid 14 and name HN ) (resid 14 and name HB ) 3.84 2.04 0.38 assign (resid 15 and name HN ) (resid 15 and name HB ) 3.91 2.11 0.39 assign (resid 23 and name HN ) (resid 23 and name HB* ) 3.68 1.88 0.37 assign (resid 28 and name HN ) (resid 28 and name HB ) 3.83 2.03 0.38 assign (resid 30 and name HN ) (resid 30 and name HB ) 3.20 1.40 0.32 assign (resid 37 and name HN ) (resid 37 and name HB ) 3.17 1.37 0.32 assign (resid 41 and name HN ) (resid 41 and name HB ) 3.26 1.46 0.33 assign (resid 45 and name HN ) (resid 45 and name HB ) 3.79 1.99 0.38 assign (resid 59 and name HN ) (resid 59 and name HB ) 4.01 2.21 0.40 assign (resid 63 and name HN ) (resid 63 and name HB* ) 3.23 1.43 0.32 assign (resid 65 and name HN ) (resid 65 and name HB ) 3.39 1.59 0.34 assign (resid 74 and name HN ) (resid 74 and name HB* ) 3.03 1.23 0.30 assign (resid 79 and name HN ) (resid 79 and name HB ) 3.86 2.06 0.39 assign (resid 82 and name HN ) (resid 82 and name HB ) 4.03 2.23 0.40 assign (resid 83 and name HN ) (resid 83 and name HB* ) 3.34 1.54 0.33 assign (resid 86 and name HN ) (resid 86 and name HB ) 3.85 2.05 0.38 assign (resid 87 and name HN ) (resid 87 and name HB* ) 3.27 1.47 0.33 assign (resid 89 and name HN ) (resid 89 and name HB* ) 3.37 1.57 0.34 assign (resid 90 and name HN ) (resid 90 and name HB ) 3.80 2.00 0.38 assign (resid 94 and name HN ) (resid 94 and name HB* ) 3.09 1.29 0.31 assign (resid 96 and name HN ) (resid 96 and name HB ) 3.85 2.05 0.38 assign (resid 102 and name HN ) (resid 102 and name HB* ) 3.59 1.79 0.36 assign (resid 105 and name HN ) (resid 105 and name HB ) 3.91 2.11 0.39 assign (resid 108 and name HN ) (resid 108 and name HB ) 3.74 1.94 0.37 assign (resid 3 and name HN ) (resid 3 and name HB2 ) 3.80 2.00 0.38 assign (resid 10 and name HN ) (resid 10 and name HB* ) 3.78 1.98 0.38 assign (resid 11 and name HN ) (resid 11 and name HB2 ) 3.87 2.07 0.39 assign (resid 12 and name HN ) (resid 12 and name HB* ) 4.07 2.27 0.41 assign (resid 13 and name HN ) (resid 13 and name HB* ) 3.29 1.49 0.33 assign (resid 16 and name HN ) (resid 16 and name HB2 ) 4.17 2.37 0.42 assign (resid 18 and name HN ) (resid 18 and name HB* ) 3.08 1.28 0.31 assign (resid 21 and name HN ) (resid 21 and name HB1 ) 3.89 2.09 0.39 assign (resid 24 and name HN ) (resid 24 and name HB2 ) 3.51 1.71 0.35 assign (resid 27 and name HN ) (resid 27 and name HB1 ) 3.96 2.16 0.40 assign (resid 29 and name HN ) (resid 29 and name HB2 ) 3.79 1.99 0.38 assign (resid 31 and name HN ) (resid 31 and name HB1 ) 3.44 1.64 0.34 assign (resid 33 and name HN ) (resid 33 and name HB* ) 3.12 1.32 0.31 assign (resid 34 and name HN ) (resid 34 and name HB2 ) 3.60 1.80 0.36 assign (resid 36 and name HN ) (resid 36 and name HB2 ) 3.97 2.17 0.40 assign (resid 42 and name HN ) (resid 42 and name HB2 ) 3.82 2.02 0.38 assign (resid 49 and name HN ) (resid 49 and name HB2 ) 4.20 2.40 0.42 assign (resid 55 and name HN ) (resid 55 and name HB2 ) 4.15 2.35 0.42 assign (resid 60 and name HN ) (resid 60 and name HB2 ) 4.20 2.40 0.42 assign (resid 64 and name HN ) (resid 64 and name HB2 ) 4.15 2.35 0.42 assign (resid 67 and name HN ) (resid 67 and name HB2 ) 3.37 1.57 0.34 assign (resid 68 and name HN ) (resid 68 and name HB1 ) 4.09 2.29 0.41 assign (resid 69 and name HN ) (resid 69 and name HB1 ) 4.18 2.38 0.42 assign (resid 70 and name HN ) (resid 70 and name HB2 ) 3.80 2.00 0.38 assign (resid 71 and name HN ) (resid 71 and name HB2 ) 3.62 1.82 0.36 assign (resid 72 and name HN ) (resid 72 and name HB2 ) 3.48 1.68 0.35 assign (resid 75 and name HN ) (resid 75 and name HB2 ) 3.70 1.90 0.37 assign (resid 77 and name HN ) (resid 77 and name HB2 ) 4.14 2.34 0.41 assign (resid 78 and name HN ) (resid 78 and name HB2 ) 4.13 2.33 0.41 assign (resid 84 and name HN ) (resid 84 and name HB2 ) 3.77 1.97 0.38 assign (resid 91 and name HN ) (resid 91 and name HB2 ) 3.89 2.09 0.39 assign (resid 92 and name HN ) (resid 92 and name HB2 ) 3.73 1.93 0.37 assign (resid 95 and name HN ) (resid 95 and name HB2 ) 3.98 2.18 0.40 assign (resid 97 and name HN ) (resid 97 and name HB* ) 3.60 1.80 0.36 assign (resid 103 and name HN ) (resid 103 and name HB1 ) 3.65 1.85 0.37 assign (resid 103 and name HB1 ) (resid 104 and name HN ) 3.80 2.00 0.38 assign (resid 107 and name HN ) (resid 107 and name HB2 ) 3.67 1.87 0.37 assign (resid 109 and name HN ) (resid 109 and name HG ) 3.13 1.33 0.31 assign (resid 110 and name HN ) (resid 110 and name HB2 ) 3.82 2.02 0.38 assign (resid 3 and name HN ) (resid 3 and name HB1 ) 3.80 2.00 0.38 assign (resid 11 and name HN ) (resid 11 and name HB1 ) 3.87 2.07 0.39 assign (resid 16 and name HN ) (resid 16 and name HB1 ) 4.17 2.37 0.42 assign (resid 20 and name HN ) (resid 20 and name HG2 ) 4.68 2.88 0.47 assign (resid 21 and name HN ) (resid 21 and name HB2 ) 3.85 2.05 0.38 assign (resid 24 and name HN ) (resid 24 and name HB1 ) 3.62 1.82 0.36 assign (resid 25 and name HB* ) (resid 26 and name HN ) 4.01 2.21 0.40 assign (resid 27 and name HN ) (resid 27 and name HB2 ) 3.52 1.72 0.35 assign (resid 29 and name HN ) (resid 29 and name HB1 ) 3.79 1.99 0.38 assign (resid 31 and name HN ) (resid 31 and name HB2 ) 3.27 1.47 0.33 assign (resid 32 and name HN ) (resid 32 and name HB2 ) 3.25 1.45 0.33 assign (resid 34 and name HN ) (resid 34 and name HB1 ) 3.60 1.80 0.36 assign (resid 36 and name HN ) (resid 36 and name HB1 ) 3.97 2.17 0.40 assign (resid 38 and name HN ) (resid 38 and name HB1 ) 3.45 1.65 0.34 assign (resid 39 and name HN ) (resid 39 and name HB1 ) 3.60 1.80 0.36 assign (resid 40 and name HN ) (resid 40 and name HB* ) 2.94 1.14 0.29 assign (resid 42 and name HN ) (resid 42 and name HB1 ) 3.82 2.02 0.38 assign (resid 46 and name HB1 ) (resid 47 and name HN ) 4.34 2.54 0.43 assign (resid 55 and name HN ) (resid 55 and name HB1 ) 4.15 2.35 0.42 assign (resid 57 and name HB ) (resid 58 and name HN ) 3.82 2.02 0.38 assign (resid 60 and name HN ) (resid 60 and name HB1 ) 4.20 2.40 0.42 assign (resid 64 and name HN ) (resid 64 and name HB1 ) 4.15 2.35 0.42 assign (resid 67 and name HN ) (resid 67 and name HB1 ) 3.37 1.57 0.34 assign (resid 69 and name HN ) (resid 69 and name HB2 ) 3.59 1.79 0.36 assign (resid 70 and name HN ) (resid 70 and name HB1 ) 3.80 2.00 0.38 assign (resid 71 and name HN ) (resid 71 and name HB1 ) 3.62 1.82 0.36 assign (resid 72 and name HN ) (resid 72 and name HB1 ) 3.48 1.68 0.35 assign (resid 75 and name HN ) (resid 75 and name HB1 ) 3.70 1.90 0.37 assign (resid 77 and name HN ) (resid 77 and name HB1 ) 4.14 2.34 0.41 assign (resid 78 and name HN ) (resid 78 and name HB1 ) 4.13 2.33 0.41 assign (resid 80 and name HN ) (resid 103 and name HB1 ) 5.11 3.31 0.51 assign (resid 84 and name HN ) (resid 84 and name HB1 ) 3.77 1.97 0.38 assign (resid 91 and name HN ) (resid 91 and name HB1 ) 3.89 2.09 0.39 assign (resid 92 and name HN ) (resid 92 and name HB1 ) 3.73 1.93 0.37 assign (resid 103 and name HN ) (resid 103 and name HB2 ) 3.84 2.04 0.38 assign (resid 107 and name HN ) (resid 107 and name HB1 ) 3.67 1.87 0.37 assign (resid 109 and name HN ) (resid 109 and name HB1 ) 3.95 2.15 0.40 assign (resid 110 and name HN ) (resid 110 and name HB1 ) 3.82 2.02 0.38 assign (resid 5 and name HN ) (resid 6 and name HN ) 4.58 2.78 0.46 assign (resid 15 and name HN ) (resid 16 and name HN ) 4.26 2.46 0.43 assign (resid 23 and name HN ) (resid 24 and name HN ) 4.64 2.84 0.46 assign (resid 25 and name HN ) (resid 26 and name HN ) 3.89 2.09 0.39 assign (resid 26 and name HN ) (resid 27 and name HN ) 4.67 2.87 0.47 assign (resid 27 and name HN ) (resid 28 and name HN ) 4.20 2.40 0.42 assign (resid 28 and name HN ) (resid 29 and name HN ) 4.84 3.04 0.48 assign (resid 29 and name HN ) (resid 30 and name HN ) 4.65 2.85 0.47 assign (resid 30 and name HN ) (resid 31 and name HN ) 4.63 2.83 0.46 assign (resid 31 and name HN ) (resid 32 and name HN ) 4.53 2.73 0.45 assign (resid 32 and name HN ) (resid 33 and name HN ) 4.77 2.97 0.48 assign (resid 33 and name HN ) (resid 34 and name HN ) 3.80 2.00 0.38 assign (resid 35 and name HN ) (resid 36 and name HN ) 3.34 1.54 0.33 assign (resid 39 and name HN ) (resid 40 and name HN ) 3.14 1.34 0.31 assign (resid 40 and name HN ) (resid 41 and name HN ) 4.62 2.82 0.46 assign (resid 42 and name HN ) (resid 43 and name HN ) 3.46 1.66 0.35 assign (resid 43 and name HN ) (resid 44 and name HN ) 4.40 2.60 0.44 assign (resid 49 and name HN ) (resid 50 and name HN ) 5.08 3.28 0.51 assign (resid 50 and name HN ) (resid 57 and name HN ) 5.36 3.56 0.54 assign (resid 53 and name HN ) (resid 54 and name HN ) 4.24 2.44 0.42 assign (resid 54 and name HN ) (resid 55 and name HN ) 3.85 2.05 0.38 assign (resid 55 and name HN ) (resid 56 and name HN ) 4.84 3.04 0.48 assign (resid 59 and name HN ) (resid 60 and name HN ) 4.78 2.98 0.48 assign (resid 63 and name HN ) (resid 64 and name HN ) 3.16 1.36 0.32 assign (resid 64 and name HN ) (resid 65 and name HN ) 3.47 1.67 0.35 assign (resid 68 and name HN ) (resid 69 and name HN ) 4.79 2.99 0.48 assign (resid 69 and name HN ) (resid 70 and name HN ) 3.61 1.81 0.36 assign (resid 73 and name HN ) (resid 74 and name HN ) 3.68 1.88 0.37 assign (resid 77 and name HN ) (resid 108 and name HN ) 4.26 2.46 0.43 assign (resid 84 and name HN ) (resid 85 and name HN ) 4.68 2.88 0.47 assign (resid 85 and name HN ) (resid 86 and name HN ) 3.72 1.92 0.37 assign (resid 87 and name HN ) (resid 88 and name HN ) 4.05 2.25 0.41 assign (resid 91 and name HN ) (resid 92 and name HN ) 4.62 2.82 0.46 assign (resid 92 and name HN ) (resid 93 and name HN ) 4.66 2.86 0.47 assign (resid 94 and name HN ) (resid 95 and name HN ) 4.17 2.37 0.42 assign (resid 99 and name HN ) (resid 100 and name HN ) 4.74 2.94 0.47 assign (resid 60 and name HN ) (resid 102 and name HN ) 4.71 2.91 0.47 assign (resid 101 and name HN ) (resid 102 and name HN ) 5.22 3.42 0.52 assign (resid 102 and name HN ) (resid 103 and name HN ) 4.68 2.88 0.47 assign (resid 103 and name HN ) (resid 104 and name HN ) 3.48 1.68 0.35 assign (resid 106 and name HN ) (resid 107 and name HN ) 4.58 2.78 0.46 assign (resid 108 and name HN ) (resid 109 and name HN ) 4.75 2.95 0.47 assign (resid 109 and name HN ) (resid 110 and name HN ) 3.97 2.17 0.40 assign (resid 3 and name HA ) (resid 4 and name HN ) 3.42 1.62 0.34 assign (resid 8 and name HA ) (resid 9 and name HN ) 2.95 1.15 0.30 assign (resid 9 and name HA ) (resid 10 and name HN ) 3.43 1.63 0.34 assign (resid 18 and name HA ) (resid 19 and name HN ) 3.35 1.55 0.34 assign (resid 19 and name HA ) (resid 20 and name HN ) 3.45 1.65 0.34 assign (resid 21 and name HA ) (resid 22 and name HN ) 3.52 1.72 0.35 assign (resid 23 and name HA ) (resid 24 and name HN ) 3.26 1.46 0.33 assign (resid 26 and name HA ) (resid 27 and name HN ) 3.01 1.21 0.30 assign (resid 27 and name HA ) (resid 28 and name HN ) 3.36 1.56 0.34 assign (resid 28 and name HA ) (resid 29 and name HN ) 2.99 1.19 0.30 assign (resid 29 and name HA ) (resid 30 and name HN ) 3.37 1.57 0.34 assign (resid 30 and name HA ) (resid 31 and name HN ) 2.78 0.98 0.28 assign (resid 31 and name HA ) (resid 32 and name HN ) 2.86 1.06 0.29 assign (resid 32 and name HA ) (resid 33 and name HN ) 3.18 1.38 0.32 assign (resid 36 and name HA ) (resid 37 and name HN ) 2.88 1.08 0.29 assign (resid 37 and name HA ) (resid 38 and name HN ) 2.83 1.03 0.28 assign (resid 40 and name HA ) (resid 41 and name HN ) 2.94 1.14 0.29 assign (resid 41 and name HA ) (resid 42 and name HN ) 3.55 1.75 0.35 assign (resid 43 and name HA ) (resid 44 and name HN ) 3.24 1.44 0.32 assign (resid 47 and name HA ) (resid 48 and name HN ) 3.30 1.50 0.33 assign (resid 55 and name HA ) (resid 56 and name HN ) 3.35 1.55 0.34 assign (resid 58 and name HA ) (resid 59 and name HN ) 3.47 1.67 0.35 assign (resid 62 and name HA ) (resid 63 and name HN ) 3.30 1.50 0.33 assign (resid 66 and name HA ) (resid 67 and name HN ) 3.17 1.37 0.32 assign (resid 69 and name HA ) (resid 70 and name HN ) 3.16 1.36 0.32 assign (resid 70 and name HA ) (resid 71 and name HN ) 3.11 1.31 0.31 assign (resid 71 and name HA ) (resid 72 and name HN ) 3.05 1.25 0.31 assign (resid 72 and name HA ) (resid 73 and name HN ) 3.48 1.68 0.35 assign (resid 73 and name HA ) (resid 74 and name HN ) 3.53 1.73 0.35 assign (resid 74 and name HA ) (resid 75 and name HN ) 3.11 1.31 0.31 assign (resid 75 and name HA ) (resid 76 and name HN ) 3.44 1.64 0.34 assign (resid 76 and name HA ) (resid 77 and name HN ) 3.51 1.71 0.35 assign (resid 77 and name HA ) (resid 78 and name HN ) 3.30 1.50 0.33 assign (resid 78 and name HA ) (resid 79 and name HN ) 3.43 1.63 0.34 assign (resid 81 and name HA ) (resid 82 and name HN ) 3.40 1.60 0.34 assign (resid 82 and name HA ) (resid 83 and name HN ) 3.27 1.47 0.33 assign (resid 83 and name HA ) (resid 84 and name HN ) 3.39 1.59 0.34 assign (resid 84 and name HA ) (resid 85 and name HN ) 3.51 1.71 0.35 assign (resid 86 and name HA ) (resid 87 and name HN ) 3.55 1.75 0.35 assign (resid 88 and name HA ) (resid 89 and name HN ) 3.52 1.72 0.35 assign (resid 91 and name HA ) (resid 92 and name HN ) 3.32 1.52 0.33 assign (resid 92 and name HA ) (resid 93 and name HN ) 3.55 1.75 0.35 assign (resid 94 and name HA ) (resid 95 and name HN ) 3.17 1.37 0.32 assign (resid 96 and name HA ) (resid 97 and name HN ) 3.49 1.69 0.35 assign (resid 101 and name HA ) (resid 102 and name HN ) 3.27 1.47 0.33 assign (resid 104 and name HA ) (resid 105 and name HN ) 3.52 1.72 0.35 assign (resid 105 and name HA ) (resid 106 and name HN ) 3.30 1.50 0.33 assign (resid 106 and name HA ) (resid 107 and name HN ) 3.30 1.50 0.33 assign (resid 107 and name HA ) (resid 108 and name HN ) 3.30 1.50 0.33 assign (resid 108 and name HA ) (resid 109 and name HN ) 3.16 1.36 0.32 assign (resid 109 and name HA ) (resid 110 and name HN ) 3.09 1.29 0.31 assign (resid 4 and name HN ) (resid 4 and name HG ) 4.58 2.78 0.46 assign (resid 10 and name HN ) (resid 10 and name HG ) 3.77 1.97 0.38 assign (resid 19 and name HN ) (resid 19 and name HG ) 4.07 2.27 0.41 assign (resid 24 and name HN ) (resid 24 and name HG ) 4.65 2.85 0.47 assign (resid 48 and name HN ) (resid 48 and name HG ) 4.26 2.46 0.43 assign (resid 78 and name HN ) (resid 78 and name HG ) 3.72 1.92 0.37 assign (resid 107 and name HN ) (resid 107 and name HG ) 3.56 1.76 0.36 assign (resid 12 and name HN ) (resid 12 and name HG2 ) 4.85 3.05 0.48 assign (resid 14 and name HN ) (resid 14 and name HG2* ) 3.85 2.05 0.38 assign (resid 15 and name HN ) (resid 15 and name HG2* ) 4.25 2.45 0.43 assign (resid 25 and name HN ) (resid 25 and name HG2 ) 4.98 3.18 0.50 assign (resid 27 and name HN ) (resid 27 and name HG2 ) 3.96 2.16 0.40 assign (resid 29 and name HN ) (resid 29 and name HG2 ) 3.62 1.82 0.36 assign (resid 30 and name HN ) (resid 30 and name HG2* ) 3.92 2.12 0.39 assign (resid 37 and name HN ) (resid 37 and name HG2* ) 3.06 1.26 0.31 assign (resid 30 and name HD1* ) (resid 41 and name HN ) 3.62 1.82 0.36 assign (resid 43 and name HN ) (resid 43 and name HG2 ) 3.57 1.77 0.36 assign (resid 44 and name HN ) (resid 44 and name HG2 ) 4.89 3.09 0.49 assign (resid 45 and name HN ) (resid 45 and name HG2* ) 4.16 2.36 0.42 assign (resid 53 and name HN ) (resid 53 and name HG2 ) 4.77 2.97 0.48 assign (resid 55 and name HN ) (resid 55 and name HG2 ) 4.04 2.24 0.40 assign (resid 56 and name HN ) (resid 56 and name HG2 ) 4.56 2.76 0.46 assign (resid 57 and name HN ) (resid 57 and name HG2* ) 4.25 2.45 0.43 assign (resid 59 and name HN ) (resid 59 and name HG2* ) 3.61 1.81 0.36 assign (resid 61 and name HN ) (resid 61 and name HG2* ) 3.99 2.19 0.40 assign (resid 61 and name HN ) (resid 61 and name HD1* ) 4.61 2.81 0.46 assign (resid 65 and name HN ) (resid 65 and name HG2* ) 3.21 1.41 0.32 assign (resid 68 and name HN ) (resid 68 and name HG2 ) 4.69 2.89 0.47 assign (resid 75 and name HN ) (resid 75 and name HG2 ) 4.10 2.30 0.41 assign (resid 76 and name HN ) (resid 76 and name HG2* ) 3.50 1.70 0.35 assign (resid 77 and name HN ) (resid 77 and name HG2 ) 4.09 2.29 0.41 assign (resid 79 and name HN ) (resid 79 and name HG2* ) 3.83 2.03 0.38 assign (resid 82 and name HN ) (resid 82 and name HG2* ) 3.72 1.92 0.37 assign (resid 85 and name HN ) (resid 85 and name HG2* ) 3.86 2.06 0.39 assign (resid 88 and name HN ) (resid 88 and name HG2* ) 3.73 1.93 0.37 assign (resid 90 and name HN ) (resid 90 and name HG2* ) 4.04 2.24 0.40 assign (resid 96 and name HN ) (resid 96 and name HG2* ) 4.06 2.26 0.41 assign (resid 100 and name HN ) (resid 100 and name HG2* ) 4.09 2.29 0.41 assign (resid 101 and name HN ) (resid 101 and name HG2 ) 4.34 2.54 0.43 assign (resid 105 and name HN ) (resid 105 and name HG2* ) 3.97 2.17 0.40 assign (resid 106 and name HN ) (resid 106 and name HG2* ) 3.28 1.48 0.33 assign (resid 108 and name HN ) (resid 108 and name HG2* ) 3.85 2.05 0.38 assign (resid 110 and name HN ) (resid 110 and name HG2 ) 4.23 2.43 0.42 assign (resid 12 and name HN ) (resid 12 and name HG1 ) 4.85 3.05 0.48 assign (resid 20 and name HN ) (resid 20 and name HG1 ) 4.68 2.88 0.47 assign (resid 25 and name HN ) (resid 25 and name HG1 ) 4.98 3.18 0.50 assign (resid 26 and name HN ) (resid 26 and name HG2 ) 4.57 2.77 0.46 assign (resid 27 and name HN ) (resid 27 and name HG1 ) 3.62 1.82 0.36 assign (resid 29 and name HN ) (resid 29 and name HG1 ) 3.62 1.82 0.36 assign (resid 31 and name HN ) (resid 31 and name HG1 ) 4.53 2.73 0.45 assign (resid 33 and name HN ) (resid 33 and name HG2 ) 5.12 3.32 0.51 assign (resid 33 and name HN ) (resid 33 and name HG1 ) 5.12 3.32 0.51 assign (resid 43 and name HN ) (resid 43 and name HG1 ) 3.57 1.77 0.36 assign (resid 44 and name HN ) (resid 44 and name HG1 ) 4.89 3.09 0.49 assign (resid 53 and name HN ) (resid 53 and name HG1 ) 4.77 2.97 0.48 assign (resid 55 and name HN ) (resid 55 and name HG1 ) 4.04 2.24 0.40 assign (resid 56 and name HN ) (resid 56 and name HG1 ) 4.56 2.76 0.46 assign (resid 68 and name HN ) (resid 68 and name HG1 ) 4.69 2.89 0.47 assign (resid 69 and name HN ) (resid 69 and name HG* ) 3.49 1.69 0.35 assign (resid 77 and name HN ) (resid 77 and name HG1 ) 4.09 2.29 0.41 assign (resid 101 and name HN ) (resid 101 and name HG1 ) 4.30 2.50 0.43 assign (resid 110 and name HN ) (resid 110 and name HG1 ) 4.23 2.43 0.42 assign (resid 4 and name HD1* ) (resid 5 and name HN ) 3.91 2.11 0.39 assign (resid 8 and name HN ) (resid 8 and name HG2* ) 3.79 1.99 0.38 assign (resid 10 and name HN ) (resid 10 and name HD2* ) 4.21 2.41 0.42 assign (resid 16 and name HN ) (resid 16 and name HD* ) 4.52 2.72 0.45 assign (resid 19 and name HN ) (resid 19 and name HD1* ) 4.03 2.23 0.40 assign (resid 24 and name HN ) (resid 24 and name HD1* ) 4.35 2.55 0.44 assign (resid 30 and name HN ) (resid 30 and name HD1* ) 3.93 2.13 0.39 assign (resid 41 and name HN ) (resid 41 and name HD1* ) 4.36 2.56 0.44 assign (resid 48 and name HN ) (resid 48 and name HD1* ) 4.31 2.51 0.43 assign (resid 67 and name HN ) (resid 67 and name HD1* ) 4.34 2.54 0.43 assign (resid 78 and name HN ) (resid 78 and name HD1* ) 4.19 2.39 0.42 assign (resid 78 and name HD2* ) (resid 79 and name HN ) 3.95 2.15 0.40 assign (resid 79 and name HN ) (resid 79 and name HD1* ) 4.26 2.46 0.43 assign (resid 82 and name HN ) (resid 100 and name HG2* ) 3.61 1.81 0.36 assign (resid 78 and name HD2* ) (resid 105 and name HN ) 4.59 2.79 0.46 assign (resid 105 and name HN ) (resid 105 and name HD1* ) 4.82 3.02 0.48 assign (resid 107 and name HN ) (resid 107 and name HD1* ) 3.89 2.09 0.39 assign (resid 109 and name HN ) (resid 109 and name HD1* ) 4.04 2.24 0.40 assign (resid 4 and name HN ) (resid 4 and name HD2* ) 3.77 1.97 0.38 assign (resid 19 and name HN ) (resid 19 and name HD2* ) 4.01 2.21 0.40 assign (resid 21 and name HN ) (resid 21 and name HD* ) 4.57 2.77 0.46 assign (resid 24 and name HN ) (resid 24 and name HD2* ) 4.27 2.47 0.43 assign (resid 42 and name HN ) (resid 42 and name HD2 ) 4.67 2.87 0.47 assign (resid 48 and name HN ) (resid 48 and name HD2* ) 4.46 2.66 0.45 assign (resid 49 and name HN ) (resid 49 and name HB1 ) 4.20 2.40 0.42 assign (resid 67 and name HN ) (resid 67 and name HD2* ) 4.46 2.66 0.45 assign (resid 70 and name HN ) (resid 70 and name HD* ) 3.66 1.86 0.37 assign (resid 75 and name HN ) (resid 75 and name HD2 ) 5.17 3.37 0.52 assign (resid 78 and name HN ) (resid 106 and name HG2* ) 5.05 3.25 0.51 assign (resid 109 and name HN ) (resid 109 and name HD2* ) 4.04 2.24 0.40 assign (resid 29 and name HN ) (resid 29 and name HD* ) 4.60 2.80 0.46 assign (resid 42 and name HN ) (resid 42 and name HD1 ) 4.67 2.87 0.47 assign (resid 75 and name HN ) (resid 75 and name HD1 ) 5.17 3.37 0.52 assign (resid 101 and name HN ) (resid 101 and name HD* ) 4.38 2.58 0.44 assign (resid 8 and name HN ) (resid 8 and name HG12 ) 4.07 2.27 0.41 assign (resid 30 and name HN ) (resid 30 and name HG12 ) 3.78 1.98 0.38 assign (resid 57 and name HN ) (resid 57 and name HG12 ) 4.43 2.63 0.44 assign (resid 61 and name HN ) (resid 61 and name HG12 ) 4.15 2.35 0.42 assign (resid 79 and name HN ) (resid 79 and name HG12 ) 4.30 2.50 0.43 assign (resid 82 and name HN ) (resid 82 and name HG12 ) 4.14 2.34 0.41 assign (resid 100 and name HN ) (resid 100 and name HG12 ) 4.51 2.71 0.45 assign (resid 105 and name HN ) (resid 105 and name HG12 ) 4.27 2.47 0.43 assign (resid 8 and name HN ) (resid 8 and name HG11 ) 4.07 2.27 0.41 assign (resid 30 and name HN ) (resid 30 and name HG11 ) 3.78 1.98 0.38 assign (resid 57 and name HN ) (resid 57 and name HG11 ) 4.43 2.63 0.44 assign (resid 61 and name HN ) (resid 61 and name HG11 ) 4.15 2.35 0.42 assign (resid 79 and name HN ) (resid 79 and name HG11 ) 4.30 2.50 0.43 assign (resid 82 and name HN ) (resid 82 and name HG11 ) 4.14 2.34 0.41 assign (resid 100 and name HN ) (resid 100 and name HG11 ) 4.51 2.71 0.45 assign (resid 105 and name HN ) (resid 105 and name HG11 ) 4.27 2.47 0.43 assign (resid 21 and name HD* ) (resid 70 and name HN ) 4.36 2.56 0.44 assign (resid 32 and name HN ) (resid 32 and name HD21 ) 4.49 2.69 0.45 assign (resid 32 and name HN ) (resid 32 and name HD22 ) 4.49 2.69 0.45 assign (resid 65 and name HN ) (resid 65 and name HG1* ) 3.86 2.06 0.39 assign (resid 96 and name HN ) (resid 96 and name HG1* ) 4.06 2.26 0.41 assign (resid 106 and name HN ) (resid 106 and name HG1* ) 3.39 1.59 0.34 assign (resid 32 and name HB2 ) (resid 32 and name HD22 ) 3.58 1.78 0.36 assign (resid 92 and name HG* ) (resid 92 and name HE22 ) 4.03 2.23 0.40 assign (resid 6 and name HB1 ) (resid 7 and name HN ) 4.53 2.73 0.45 assign (resid 7 and name HN ) (resid 8 and name HG2* ) 5.50 3.70 0.55 assign (resid 7 and name HN ) (resid 8 and name HN ) 3.97 2.17 0.40 assign (resid 33 and name HA ) (resid 35 and name HN ) 4.05 2.25 0.41 assign (resid 34 and name HB2 ) (resid 35 and name HN ) 4.75 2.95 0.47 assign (resid 32 and name HB2 ) (resid 35 and name HN ) 4.44 2.64 0.44 assign (resid 32 and name HB1 ) (resid 35 and name HN ) 4.96 3.16 0.50 assign (resid 34 and name HB1 ) (resid 35 and name HN ) 4.75 2.95 0.47 assign (resid 31 and name HG2 ) (resid 35 and name HN ) 4.55 2.75 0.46 assign (resid 33 and name HB* ) (resid 35 and name HN ) 4.97 3.17 0.50 assign (resid 32 and name HN ) (resid 35 and name HN ) 4.63 2.83 0.46 assign (resid 92 and name HG* ) (resid 93 and name HN ) 4.65 2.85 0.47 assign (resid 92 and name HB2 ) (resid 93 and name HN ) 4.59 2.79 0.46 assign (resid 92 and name HB1 ) (resid 93 and name HN ) 4.59 2.79 0.46 assign (resid 62 and name HA ) (resid 64 and name HN ) 4.29 2.49 0.43 assign (resid 62 and name HB1 ) (resid 64 and name HN ) 4.25 2.45 0.43 assign (resid 62 and name HB2 ) (resid 64 and name HN ) 3.50 1.70 0.35 assign (resid 63 and name HB* ) (resid 64 and name HN ) 3.61 1.81 0.36 assign (resid 64 and name HN ) (resid 65 and name HG2* ) 4.47 2.67 0.45 assign (resid 103 and name HB2 ) (resid 104 and name HN ) 4.15 2.35 0.42 assign (resid 79 and name HB ) (resid 104 and name HN ) 3.67 1.87 0.37 assign (resid 102 and name HB* ) (resid 104 and name HN ) 3.38 1.58 0.34 assign (resid 61 and name HG2* ) (resid 104 and name HN ) 4.82 3.02 0.48 assign (resid 79 and name HG2* ) (resid 104 and name HN ) 5.15 3.35 0.52 assign (resid 104 and name HN ) (resid 106 and name HG1* ) 5.50 3.70 0.55 assign (resid 78 and name HD2* ) (resid 104 and name HN ) 4.54 2.74 0.45 assign (resid 79 and name HD1* ) (resid 104 and name HN ) 5.08 3.28 0.51 assign (resid 79 and name HN ) (resid 104 and name HN ) 3.92 2.12 0.39 assign (resid 89 and name HB* ) (resid 90 and name HN ) 3.54 1.74 0.35 assign (resid 31 and name HE21 ) (resid 37 and name HG2* ) 4.29 2.49 0.43 assign (resid 31 and name HE21 ) (resid 37 and name HA ) 4.45 2.65 0.44 assign (resid 26 and name HN ) (resid 45 and name HB ) 4.35 2.55 0.44 assign (resid 24 and name HA ) (resid 26 and name HN ) 4.71 2.91 0.47 assign (resid 24 and name HG ) (resid 26 and name HN ) 4.25 2.45 0.43 assign (resid 26 and name HN ) (resid 45 and name HG2* ) 4.61 2.81 0.46 assign (resid 24 and name HD2* ) (resid 26 and name HN ) 4.60 2.80 0.46 assign (resid 24 and name HD1* ) (resid 26 and name HN ) 4.13 2.33 0.41 assign (resid 26 and name HN ) (resid 45 and name HN ) 4.07 2.27 0.41 assign (resid 79 and name HG2* ) (resid 80 and name HD21 ) 3.99 2.19 0.40 assign (resid 79 and name HG2* ) (resid 80 and name HD22 ) 3.99 2.19 0.40 assign (resid 21 and name HA ) (resid 23 and name HN ) 4.49 2.69 0.45 assign (resid 22 and name HB2 ) (resid 23 and name HN ) 3.98 2.18 0.40 assign (resid 22 and name HB1 ) (resid 23 and name HN ) 3.98 2.18 0.40 assign (resid 23 and name HN ) (resid 47 and name HB2 ) 4.29 2.49 0.43 assign (resid 23 and name HN ) (resid 47 and name HB1 ) 3.92 2.12 0.39 assign (resid 23 and name HN ) (resid 48 and name HD2* ) 4.62 2.82 0.46 assign (resid 23 and name HN ) (resid 47 and name HN ) 4.04 2.24 0.40 assign (resid 84 and name HB2 ) (resid 85 and name HN ) 4.70 2.90 0.47 assign (resid 84 and name HB1 ) (resid 85 and name HN ) 4.70 2.90 0.47 assign (resid 85 and name HN ) (resid 86 and name HG1* ) 5.50 3.70 0.55 assign (resid 85 and name HN ) (resid 86 and name HG2* ) 5.50 3.70 0.55 assign (resid 41 and name HA ) (resid 43 and name HN ) 4.41 2.61 0.44 assign (resid 42 and name HB2 ) (resid 43 and name HN ) 3.67 1.87 0.37 assign (resid 42 and name HB1 ) (resid 43 and name HN ) 3.67 1.87 0.37 assign (resid 42 and name HG2 ) (resid 43 and name HN ) 4.62 2.82 0.46 assign (resid 42 and name HG1 ) (resid 43 and name HN ) 4.62 2.82 0.46 assign (resid 43 and name HN ) (resid 63 and name HB* ) 4.91 3.11 0.49 assign (resid 28 and name HG2* ) (resid 43 and name HN ) 4.06 2.26 0.41 assign (resid 41 and name HG2* ) (resid 43 and name HN ) 3.40 1.60 0.34 assign (resid 32 and name HB1 ) (resid 34 and name HN ) 3.52 1.72 0.35 assign (resid 33 and name HB* ) (resid 34 and name HN ) 3.44 1.64 0.34 assign (resid 34 and name HN ) (resid 36 and name HN ) 4.57 2.77 0.46 assign (resid 76 and name HB ) (resid 106 and name HN ) 4.56 2.76 0.46 assign (resid 105 and name HB ) (resid 106 and name HN ) 4.52 2.72 0.45 assign (resid 77 and name HN ) (resid 107 and name HA ) 4.53 2.73 0.45 assign (resid 77 and name HN ) (resid 105 and name HG2* ) 4.08 2.28 0.41 assign (resid 77 and name HN ) (resid 106 and name HG2* ) 3.90 2.10 0.39 assign (resid 76 and name HG1* ) (resid 77 and name HN ) 3.92 2.12 0.39 assign (resid 76 and name HG2* ) (resid 77 and name HN ) 3.97 2.17 0.40 assign (resid 77 and name HN ) (resid 106 and name HN ) 3.95 2.15 0.40 assign (resid 5 and name HB* ) (resid 6 and name HN ) 4.00 2.20 0.40 assign (resid 14 and name HG2* ) (resid 15 and name HN ) 4.43 2.63 0.44 assign (resid 15 and name HB ) (resid 16 and name HN ) 4.15 2.35 0.42 assign (resid 15 and name HG2* ) (resid 16 and name HN ) 4.55 2.75 0.46 assign (resid 36 and name HN ) (resid 37 and name HN ) 4.58 2.78 0.46 assign (resid 50 and name HN ) (resid 56 and name HA ) 4.39 2.59 0.44 assign (resid 32 and name HB2 ) (resid 36 and name HN ) 3.92 2.12 0.39 assign (resid 79 and name HB ) (resid 103 and name HN ) 4.38 2.58 0.44 assign (resid 102 and name HB* ) (resid 103 and name HN ) 3.43 1.63 0.34 assign (resid 61 and name HG2* ) (resid 103 and name HN ) 5.47 3.67 0.55 assign (resid 79 and name HG2* ) (resid 103 and name HN ) 5.50 3.70 0.55 assign (resid 21 and name HE* ) (resid 70 and name HN ) 4.35 2.55 0.44 assign (resid 70 and name HN ) (resid 71 and name HN ) 4.64 2.84 0.46 assign (resid 68 and name HA ) (resid 70 and name HN ) 4.34 2.54 0.43 assign (resid 69 and name HG* ) (resid 70 and name HN ) 4.69 2.89 0.47 assign (resid 68 and name HB1 ) (resid 70 and name HN ) 4.25 2.45 0.43 assign (resid 69 and name HB2 ) (resid 70 and name HN ) 4.51 2.71 0.45 assign (resid 68 and name HB2 ) (resid 70 and name HN ) 4.41 2.61 0.44 assign (resid 69 and name HB1 ) (resid 70 and name HN ) 4.57 2.77 0.46 assign (resid 77 and name HG1 ) (resid 78 and name HN ) 5.00 3.20 0.50 assign (resid 77 and name HB2 ) (resid 78 and name HN ) 3.87 2.07 0.39 assign (resid 77 and name HB1 ) (resid 78 and name HN ) 3.87 2.07 0.39 assign (resid 19 and name HD1* ) (resid 78 and name HN ) 4.13 2.33 0.41 assign (resid 44 and name HN ) (resid 61 and name HN ) 4.04 2.24 0.40 assign (resid 24 and name HD1* ) (resid 45 and name HN ) 4.08 2.28 0.41 assign (resid 96 and name HN ) (resid 97 and name HN ) 4.71 2.91 0.47 assign (resid 43 and name HB2 ) (resid 44 and name HN ) 3.82 2.02 0.38 assign (resid 43 and name HB1 ) (resid 44 and name HN ) 3.82 2.02 0.38 assign (resid 28 and name HG2* ) (resid 44 and name HN ) 5.27 3.47 0.53 assign (resid 44 and name HN ) (resid 61 and name HD1* ) 5.50 3.70 0.55 assign (resid 24 and name HD2* ) (resid 45 and name HN ) 5.50 3.70 0.55 assign (resid 28 and name HG1* ) (resid 45 and name HN ) 5.50 3.70 0.55 assign (resid 27 and name HA ) (resid 45 and name HN ) 4.00 2.20 0.40 assign (resid 76 and name HB ) (resid 108 and name HN ) 4.98 3.18 0.50 assign (resid 107 and name HD1* ) (resid 108 and name HN ) 4.78 2.98 0.48 assign (resid 76 and name HG1* ) (resid 108 and name HN ) 4.00 2.20 0.40 assign (resid 107 and name HD2* ) (resid 108 and name HN ) 3.92 2.12 0.39 assign (resid 76 and name HA ) (resid 108 and name HN ) 3.64 1.84 0.36 assign (resid 94 and name HB* ) (resid 95 and name HN ) 3.62 1.82 0.36 assign (resid 95 and name HN ) (resid 96 and name HN ) 4.25 2.45 0.43 assign (resid 19 and name HD2* ) (resid 20 and name HN ) 4.05 2.25 0.41 assign (resid 20 and name HN ) (resid 49 and name HN ) 4.12 2.32 0.41 assign (resid 36 and name HB2 ) (resid 37 and name HN ) 3.69 1.89 0.37 assign (resid 36 and name HB1 ) (resid 37 and name HN ) 3.69 1.89 0.37 assign (resid 21 and name HB2 ) (resid 22 and name HN ) 4.67 2.87 0.47 assign (resid 22 and name HN ) (resid 48 and name HD2* ) 3.77 1.97 0.38 assign (resid 22 and name HN ) (resid 49 and name HN ) 5.50 3.70 0.55 assign (resid 38 and name HB2 ) (resid 39 and name HN ) 3.73 1.93 0.37 assign (resid 13 and name HN ) (resid 14 and name HN ) 3.91 2.11 0.39 assign (resid 12 and name HB* ) (resid 13 and name HN ) 3.71 1.91 0.37 assign (resid 12 and name HG1 ) (resid 13 and name HN ) 4.66 2.86 0.47 assign (resid 70 and name HB2 ) (resid 71 and name HN ) 3.76 1.96 0.38 assign (resid 71 and name HN ) (resid 74 and name HB* ) 3.58 1.78 0.36 assign (resid 70 and name HB1 ) (resid 71 and name HN ) 3.76 1.96 0.38 assign (resid 70 and name HD* ) (resid 71 and name HN ) 3.95 2.15 0.40 assign (resid 30 and name HD1* ) (resid 40 and name HN ) 4.29 2.49 0.43 assign (resid 39 and name HB1 ) (resid 40 and name HN ) 4.29 2.49 0.43 assign (resid 38 and name HB2 ) (resid 40 and name HN ) 4.51 2.71 0.45 assign (resid 38 and name HB1 ) (resid 40 and name HN ) 4.02 2.22 0.40 assign (resid 56 and name HB2 ) (resid 57 and name HN ) 4.53 2.73 0.45 assign (resid 49 and name HA ) (resid 57 and name HN ) 4.74 2.94 0.47 assign (resid 48 and name HN ) (resid 57 and name HN ) 4.71 2.91 0.47 assign (resid 8 and name HN ) (resid 9 and name HN ) 4.63 2.83 0.46 assign (resid 23 and name HB* ) (resid 24 and name HN ) 3.32 1.52 0.33 assign (resid 24 and name HN ) (resid 46 and name HD* ) 4.73 2.93 0.47 assign (resid 109 and name HB1 ) (resid 110 and name HN ) 4.55 2.75 0.46 assign (resid 108 and name HG2* ) (resid 110 and name HN ) 4.48 2.68 0.45 assign (resid 109 and name HD2* ) (resid 110 and name HN ) 4.56 2.76 0.46 assign (resid 90 and name HB ) (resid 91 and name HN ) 4.24 2.44 0.42 assign (resid 89 and name HB* ) (resid 91 and name HN ) 4.40 2.60 0.44 assign (resid 90 and name HG2* ) (resid 91 and name HN ) 4.19 2.39 0.42 assign (resid 55 and name HB1 ) (resid 56 and name HN ) 4.21 2.41 0.42 assign (resid 106 and name HB ) (resid 107 and name HN ) 3.46 1.66 0.35 assign (resid 70 and name HZ ) (resid 107 and name HN ) 4.42 2.62 0.44 assign (resid 105 and name HN ) (resid 106 and name HN ) 4.62 2.82 0.46 assign (resid 104 and name HB2 ) (resid 105 and name HN ) 4.31 2.51 0.43 assign (resid 104 and name HB1 ) (resid 105 and name HN ) 4.31 2.51 0.43 assign (resid 65 and name HG1* ) (resid 105 and name HN ) 4.18 2.38 0.42 assign (resid 61 and name HG2* ) (resid 105 and name HN ) 4.01 2.21 0.40 assign (resid 61 and name HA ) (resid 102 and name HN ) 4.38 2.58 0.44 assign (resid 101 and name HB2 ) (resid 102 and name HN ) 3.98 2.18 0.40 assign (resid 101 and name HB1 ) (resid 102 and name HN ) 3.98 2.18 0.40 assign (resid 101 and name HG2 ) (resid 102 and name HN ) 4.32 2.52 0.43 assign (resid 61 and name HG2* ) (resid 102 and name HN ) 4.01 2.21 0.40 assign (resid 10 and name HD2* ) (resid 11 and name HN ) 3.96 2.16 0.40 assign (resid 59 and name HG1* ) (resid 102 and name HN ) 4.17 2.37 0.42 assign (resid 10 and name HB* ) (resid 11 and name HN ) 4.01 2.21 0.40 assign (resid 37 and name HG1* ) (resid 38 and name HN ) 3.30 1.50 0.33 assign (resid 17 and name HA1 ) (resid 18 and name HN ) 3.49 1.69 0.35 assign (resid 17 and name HA2 ) (resid 18 and name HN ) 3.49 1.69 0.35 assign (resid 91 and name HB2 ) (resid 92 and name HN ) 4.38 2.58 0.44 assign (resid 91 and name HB1 ) (resid 92 and name HN ) 4.38 2.58 0.44 assign (resid 91 and name HD* ) (resid 92 and name HN ) 4.44 2.64 0.44 assign (resid 18 and name HN ) (resid 19 and name HN ) 4.79 2.99 0.48 assign (resid 21 and name HD* ) (resid 73 and name HN ) 5.31 3.51 0.53 assign (resid 71 and name HB2 ) (resid 72 and name HN ) 3.97 2.17 0.40 assign (resid 46 and name HB2 ) (resid 47 and name HN ) 4.34 2.54 0.43 assign (resid 46 and name HD* ) (resid 47 and name HN ) 4.54 2.74 0.45 assign (resid 25 and name HN ) (resid 47 and name HN ) 4.41 2.61 0.44 assign (resid 48 and name HD2* ) (resid 49 and name HN ) 4.26 2.46 0.43 assign (resid 19 and name HD2* ) (resid 49 and name HN ) 4.87 3.07 0.49 assign (resid 48 and name HD1* ) (resid 49 and name HN ) 5.43 3.63 0.54 assign (resid 85 and name HG2* ) (resid 86 and name HN ) 4.39 2.59 0.44 assign (resid 86 and name HN ) (resid 86 and name HG1* ) 4.17 2.37 0.42 assign (resid 85 and name HB ) (resid 86 and name HN ) 4.58 2.78 0.46 assign (resid 57 and name HG2* ) (resid 58 and name HN ) 3.72 1.92 0.37 assign (resid 21 and name HB1 ) (resid 74 and name HN ) 3.90 2.10 0.39 assign (resid 72 and name HA ) (resid 74 and name HN ) 4.27 2.47 0.43 assign (resid 21 and name HD* ) (resid 74 and name HN ) 4.41 2.61 0.44 assign (resid 74 and name HN ) (resid 75 and name HN ) 4.53 2.73 0.45 assign (resid 21 and name HN ) (resid 74 and name HN ) 4.34 2.54 0.43 assign (resid 45 and name HG2* ) (resid 59 and name HN ) 4.26 2.46 0.43 assign (resid 32 and name HB1 ) (resid 33 and name HN ) 3.59 1.79 0.36 assign (resid 32 and name HN ) (resid 38 and name HN ) 4.11 2.31 0.41 assign (resid 32 and name HN ) (resid 37 and name HA ) 3.74 1.94 0.37 assign (resid 31 and name HG2 ) (resid 32 and name HN ) 4.19 2.39 0.42 assign (resid 31 and name HG1 ) (resid 32 and name HN ) 4.21 2.41 0.42 assign (resid 31 and name HB1 ) (resid 32 and name HN ) 4.01 2.21 0.40 assign (resid 31 and name HB2 ) (resid 32 and name HN ) 4.51 2.71 0.45 assign (resid 32 and name HN ) (resid 37 and name HG1* ) 5.38 3.58 0.54 assign (resid 32 and name HN ) (resid 37 and name HG2* ) 5.50 3.70 0.55 assign (resid 30 and name HG2* ) (resid 32 and name HN ) 4.60 2.80 0.46 assign (resid 74 and name HB* ) (resid 75 and name HN ) 3.52 1.72 0.35 assign (resid 99 and name HB2 ) (resid 100 and name HN ) 4.85 3.05 0.48 assign (resid 99 and name HB1 ) (resid 100 and name HN ) 4.85 3.05 0.48 assign (resid 40 and name HG2 ) (resid 41 and name HN ) 4.71 2.91 0.47 assign (resid 40 and name HB* ) (resid 41 and name HN ) 3.56 1.76 0.36 assign (resid 41 and name HN ) (resid 63 and name HB* ) 4.47 2.67 0.45 assign (resid 43 and name HA ) (resid 63 and name HN ) 3.87 2.07 0.39 assign (resid 62 and name HB1 ) (resid 63 and name HN ) 4.09 2.29 0.41 assign (resid 62 and name HB2 ) (resid 63 and name HN ) 3.82 2.02 0.38 assign (resid 80 and name HN ) (resid 81 and name HD1 ) 4.08 2.28 0.41 assign (resid 79 and name HG2* ) (resid 80 and name HN ) 3.74 1.94 0.37 assign (resid 80 and name HN ) (resid 81 and name HD2 ) 4.08 2.28 0.41 assign (resid 68 and name HB1 ) (resid 69 and name HN ) 3.94 2.14 0.39 assign (resid 68 and name HD* ) (resid 69 and name HN ) 4.98 3.18 0.50 assign (resid 68 and name HB2 ) (resid 69 and name HN ) 4.39 2.59 0.44 assign (resid 96 and name HB ) (resid 97 and name HN ) 4.13 2.33 0.41 assign (resid 96 and name HG2* ) (resid 97 and name HN ) 4.19 2.39 0.42 assign (resid 96 and name HG1* ) (resid 97 and name HN ) 4.19 2.39 0.42 assign (resid 67 and name HB1 ) (resid 68 and name HN ) 4.75 2.95 0.47 assign (resid 68 and name HN ) (resid 68 and name HD* ) 4.47 2.67 0.45 assign (resid 67 and name HD1* ) (resid 68 and name HN ) 3.72 1.92 0.37 assign (resid 46 and name HE* ) (resid 68 and name HN ) 4.44 2.64 0.44 assign (resid 46 and name HH ) (resid 68 and name HN ) 4.26 2.46 0.43 assign (resid 66 and name HB1 ) (resid 67 and name HN ) 3.91 2.11 0.39 assign (resid 66 and name HB2 ) (resid 67 and name HN ) 3.91 2.11 0.39 assign (resid 21 and name HN ) (resid 74 and name HB* ) 4.31 2.51 0.43 assign (resid 21 and name HN ) (resid 76 and name HG2* ) 4.24 2.44 0.42 assign (resid 21 and name HN ) (resid 76 and name HG1* ) 4.22 2.42 0.42 assign (resid 88 and name HG2* ) (resid 89 and name HN ) 4.47 2.67 0.45 assign (resid 60 and name HN ) (resid 101 and name HA ) 3.92 2.12 0.39 assign (resid 59 and name HG1* ) (resid 60 and name HN ) 3.65 1.85 0.37 assign (resid 108 and name HB ) (resid 109 and name HN ) 3.86 2.06 0.39 assign (resid 27 and name HB2 ) (resid 28 and name HN ) 4.40 2.60 0.44 assign (resid 28 and name HN ) (resid 28 and name HG1* ) 3.28 1.48 0.33 assign (resid 28 and name HN ) (resid 28 and name HG2* ) 3.85 2.05 0.38 assign (resid 28 and name HN ) (resid 44 and name HA ) 4.25 2.45 0.43 assign (resid 28 and name HN ) (resid 43 and name HN ) 4.20 2.40 0.42 assign (resid 41 and name HG2* ) (resid 42 and name HN ) 3.68 1.88 0.37 assign (resid 8 and name HB ) (resid 9 and name HN ) 4.16 2.36 0.42 assign (resid 45 and name HG2* ) (resid 46 and name HN ) 3.99 2.19 0.40 assign (resid 46 and name HN ) (resid 48 and name HD1* ) 5.50 3.70 0.55 assign (resid 46 and name HN ) (resid 59 and name HG1* ) 5.50 3.70 0.55 assign (resid 46 and name HN ) (resid 59 and name HG2* ) 5.50 3.70 0.55 assign (resid 46 and name HN ) (resid 59 and name HN ) 4.25 2.45 0.43 assign (resid 63 and name HA ) (resid 65 and name HN ) 3.98 2.18 0.40 assign (resid 61 and name HD1* ) (resid 65 and name HN ) 4.65 2.85 0.47 assign (resid 100 and name HG2* ) (resid 101 and name HN ) 3.72 1.92 0.37 assign (resid 30 and name HB ) (resid 31 and name HN ) 4.19 2.39 0.42 assign (resid 30 and name HG12 ) (resid 31 and name HN ) 5.30 3.50 0.53 assign (resid 30 and name HG11 ) (resid 31 and name HN ) 5.30 3.50 0.53 assign (resid 30 and name HG2* ) (resid 31 and name HN ) 3.15 1.35 0.32 assign (resid 86 and name HB ) (resid 87 and name HN ) 4.09 2.29 0.41 assign (resid 86 and name HG1* ) (resid 87 and name HN ) 4.46 2.66 0.45 assign (resid 18 and name HG2 ) (resid 19 and name HN ) 5.14 3.34 0.51 assign (resid 82 and name HB ) (resid 83 and name HN ) 3.96 2.16 0.40 assign (resid 82 and name HG2* ) (resid 83 and name HN ) 3.80 2.00 0.38 assign (resid 28 and name HG1* ) (resid 29 and name HN ) 4.05 2.25 0.41 assign (resid 57 and name HG2* ) (resid 98 and name HE1 ) 4.49 2.69 0.45 assign (resid 98 and name HE1 ) (resid 100 and name HD1* ) 4.45 2.65 0.44 assign (resid 24 and name HG ) (resid 25 and name HN ) 4.44 2.64 0.44 assign (resid 24 and name HD1* ) (resid 25 and name HN ) 4.14 2.34 0.41 assign (resid 89 and name HN ) (resid 90 and name HN ) 3.57 1.77 0.36 assign (resid 88 and name HN ) (resid 89 and name HN ) 3.72 1.92 0.37 assign (resid 86 and name HG1* ) (resid 88 and name HN ) 5.50 3.70 0.55 assign (resid 86 and name HG2* ) (resid 88 and name HN ) 5.50 3.70 0.55 assign (resid 87 and name HB* ) (resid 88 and name HN ) 3.81 2.01 0.38 assign (resid 34 and name HN ) (resid 35 and name HN ) 3.36 1.56 0.34 assign (resid 106 and name HG2* ) (resid 107 and name HN ) 3.80 2.00 0.38 assign (resid 10 and name HD1* ) (resid 11 and name HN ) 3.96 2.16 0.40 assign (resid 45 and name HA ) (resid 61 and name HN ) 4.66 2.86 0.47 assign (resid 60 and name HB1 ) (resid 61 and name HN ) 4.97 3.17 0.50 assign (resid 79 and name HN ) (resid 106 and name HG1* ) 4.81 3.01 0.48 assign (resid 82 and name HN ) (resid 101 and name HN ) 4.32 2.52 0.43 assign (resid 82 and name HN ) (resid 102 and name HA ) 4.23 2.43 0.42 assign (resid 82 and name HN ) (resid 102 and name HB* ) 4.05 2.25 0.41 assign (resid 26 and name HB1 ) (resid 27 and name HN ) 4.22 2.42 0.42 assign (resid 26 and name HG1 ) (resid 27 and name HN ) 4.04 2.24 0.40 assign (resid 24 and name HD2* ) (resid 27 and name HN ) 4.16 2.36 0.42 assign (resid 73 and name HN ) (resid 74 and name HB* ) 4.60 2.80 0.46 assign (resid 48 and name HN ) (resid 49 and name HN ) 5.01 3.21 0.50 assign (resid 47 and name HB1 ) (resid 48 and name HN ) 4.32 2.52 0.43 assign (resid 47 and name HB2 ) (resid 48 and name HN ) 4.69 2.89 0.47 assign (resid 71 and name HB1 ) (resid 72 and name HN ) 3.97 2.17 0.40 assign (resid 83 and name HB* ) (resid 84 and name HN ) 3.67 1.87 0.37 assign (resid 84 and name HN ) (resid 100 and name HG2* ) 4.26 2.46 0.43 assign (resid 30 and name HN ) (resid 42 and name HN ) 4.44 2.64 0.44 assign (resid 30 and name HN ) (resid 41 and name HA ) 3.93 2.13 0.39 assign (resid 30 and name HN ) (resid 40 and name HB* ) 4.10 2.30 0.41 assign (resid 29 and name HB2 ) (resid 30 and name HN ) 3.76 1.96 0.38 assign (resid 29 and name HB1 ) (resid 30 and name HN ) 3.76 1.96 0.38 assign (resid 24 and name HA ) (resid 47 and name HN ) 4.59 2.79 0.46 assign (resid 2 and name HG* ) (resid 3 and name HN ) 4.38 2.58 0.44 assign (resid 20 and name HN ) (resid 48 and name HA ) 4.71 2.91 0.47 assign (resid 23 and name HN ) (resid 48 and name HA ) 5.33 3.53 0.53 assign (resid 29 and name HA ) (resid 43 and name HN ) 4.92 3.12 0.49 assign (resid 44 and name HN ) (resid 60 and name HA ) 4.85 3.05 0.48 assign (resid 22 and name HN ) (resid 48 and name HA ) 4.01 2.21 0.40 assign (resid 21 and name HN ) (resid 75 and name HA ) 4.79 2.99 0.48 assign (resid 29 and name HA ) (resid 42 and name HN ) 4.14 2.34 0.41 assign (resid 46 and name HN ) (resid 60 and name HA ) 4.81 3.01 0.48 assign (resid 25 and name HN ) (resid 46 and name HA ) 4.31 2.51 0.43 assign (resid 22 and name HN ) (resid 23 and name HN ) 3.25 1.45 0.33 assign (resid 51 and name HN ) (resid 52 and name HN ) 4.75 2.95 0.47 assign (resid 6 and name HB2 ) (resid 7 and name HN ) 4.53 2.73 0.45 assign (resid 32 and name HN ) (resid 36 and name HN ) 4.71 2.91 0.47 assign (resid 17 and name HN ) (resid 18 and name HN ) 4.58 2.78 0.46 assign (resid 78 and name HA ) (resid 104 and name HN ) 4.96 3.16 0.50 assign (resid 31 and name HE22 ) (resid 37 and name HG2* ) 4.86 3.06 0.49 assign (resid 13 and name HB* ) (resid 14 and name HN ) 3.94 2.14 0.39 assign (resid 81 and name HA ) (resid 103 and name HN ) 4.75 2.95 0.47 assign (resid 56 and name HB1 ) (resid 57 and name HN ) 4.53 2.73 0.45 assign (resid 75 and name HN ) (resid 76 and name HN ) 4.63 2.83 0.46 assign (resid 27 and name HB1 ) (resid 28 and name HN ) 4.35 2.55 0.44 assign (resid 84 and name HN ) (resid 100 and name HA ) 3.56 1.76 0.36 assign (resid 83 and name HA ) (resid 101 and name HN ) 4.01 2.21 0.40 assign (resid 102 and name HA ) (resid 104 and name HN ) 4.80 3.00 0.48 assign (resid 104 and name HN ) (resid 105 and name HN ) 4.79 2.99 0.48 assign (resid 107 and name HN ) (resid 108 and name HN ) 4.70 2.90 0.47 assign (resid 70 and name HE* ) (resid 107 and name HN ) 4.81 3.01 0.48 assign (resid 78 and name HA ) (resid 106 and name HN ) 3.53 1.73 0.35 assign (resid 79 and name HN ) (resid 105 and name HA ) 4.15 2.35 0.42 assign (resid 78 and name HN ) (resid 79 and name HN ) 4.86 3.06 0.49 assign (resid 79 and name HN ) (resid 106 and name HN ) 4.89 3.09 0.49 assign (resid 59 and name HA ) (resid 100 and name HN ) 4.23 2.43 0.42 assign (resid 67 and name HB2 ) (resid 68 and name HN ) 4.75 2.95 0.47 assign (resid 76 and name HB ) (resid 77 and name HN ) 3.50 1.70 0.35 assign (resid 57 and name HN ) (resid 57 and name HD1* ) 4.88 3.08 0.49 assign (resid 81 and name HB* ) (resid 82 and name HN ) 3.59 1.79 0.36 assign (resid 98 and name HB2 ) (resid 99 and name HN ) 4.90 3.10 0.49 assign (resid 98 and name HB1 ) (resid 99 and name HN ) 4.90 3.10 0.49 assign (resid 67 and name HG ) (resid 68 and name HN ) 4.35 2.55 0.44 assign (resid 59 and name HG1* ) (resid 100 and name HN ) 5.50 3.70 0.55 assign (resid 59 and name HG2* ) (resid 100 and name HN ) 5.50 3.70 0.55 assign (resid 32 and name HB2 ) (resid 34 and name HN ) 4.43 2.63 0.44 assign (resid 9 and name HA ) (resid 9 and name HG2* ) 3.51 1.71 0.35 assign (resid 15 and name HA ) (resid 15 and name HG2* ) 3.72 1.92 0.37 assign (resid 61 and name HA ) (resid 61 and name HG2* ) 3.74 1.94 0.37 assign (resid 92 and name HA ) (resid 92 and name HG* ) 3.46 1.66 0.35 assign (resid 53 and name HA ) (resid 53 and name HG1 ) 4.15 2.35 0.42 assign (resid 10 and name HA ) (resid 10 and name HG ) 3.74 1.94 0.37 assign (resid 19 and name HA ) (resid 19 and name HD1* ) 4.04 2.24 0.40 assign (resid 42 and name HA ) (resid 42 and name HD2 ) 4.13 2.33 0.41 assign (resid 12 and name HA ) (resid 12 and name HD* ) 4.76 2.96 0.48 assign (resid 8 and name HA ) (resid 8 and name HG12 ) 3.90 2.10 0.39 assign (resid 21 and name HD* ) (resid 72 and name HA ) 4.76 2.96 0.48 assign (resid 88 and name HN ) (resid 88 and name HB ) 3.89 2.09 0.39 assign (resid 27 and name HB1 ) (resid 44 and name HE ) 5.25 3.45 0.53 assign (resid 38 and name HN ) (resid 38 and name HB2 ) 3.47 1.67 0.35 assign (resid 39 and name HN ) (resid 39 and name HB2 ) 3.60 1.80 0.36 assign (resid 109 and name HN ) (resid 109 and name HB2 ) 3.95 2.15 0.40 assign (resid 14 and name HA ) (resid 14 and name HB ) 2.65 0.85 0.27 assign (resid 13 and name HA ) (resid 13 and name HB* ) 3.01 1.21 0.30 assign (resid 27 and name HB2 ) (resid 27 and name HG1 ) 2.55 0.75 0.25 assign (resid 8 and name HB ) (resid 8 and name HD1* ) 3.61 1.81 0.36 assign (resid 105 and name HB ) (resid 105 and name HD1* ) 3.67 1.87 0.37 assign (resid 67 and name HN ) (resid 67 and name HG ) 4.75 2.95 0.47 assign (resid 42 and name HA ) (resid 42 and name HG2 ) 4.19 2.39 0.42 assign (resid 65 and name HA ) (resid 66 and name HG1 ) 4.76 2.96 0.48 assign (resid 3 and name HN ) (resid 3 and name HG* ) 3.99 2.19 0.40 assign (resid 31 and name HN ) (resid 31 and name HG2 ) 4.72 2.92 0.47 assign (resid 40 and name HN ) (resid 40 and name HG2 ) 4.20 2.40 0.42 assign (resid 49 and name HN ) (resid 49 and name HG2 ) 4.80 3.00 0.48 assign (resid 92 and name HN ) (resid 92 and name HG* ) 4.26 2.46 0.43 assign (resid 26 and name HN ) (resid 26 and name HG1 ) 5.04 3.24 0.50 assign (resid 40 and name HN ) (resid 40 and name HG1 ) 4.20 2.40 0.42 assign (resid 49 and name HN ) (resid 49 and name HG1 ) 4.80 3.00 0.48 assign (resid 75 and name HN ) (resid 75 and name HG1 ) 4.10 2.30 0.41 assign (resid 19 and name HB2 ) (resid 19 and name HD1* ) 4.08 2.28 0.41 assign (resid 30 and name HG2* ) (resid 30 and name HG12 ) 3.34 1.54 0.33 assign (resid 41 and name HG2* ) (resid 41 and name HG11 ) 3.35 1.55 0.34 assign (resid 82 and name HG2* ) (resid 82 and name HG11 ) 3.23 1.43 0.32 assign (resid 100 and name HG2* ) (resid 100 and name HG11 ) 3.75 1.95 0.38 assign (resid 51 and name HD* ) (resid 52 and name HN ) 4.63 2.83 0.46 assign (resid 95 and name HN ) (resid 95 and name HB1 ) 3.98 2.18 0.40 assign (resid 42 and name HB1 ) (resid 42 and name HD2 ) 3.99 2.19 0.40 assign (resid 49 and name HG2 ) (resid 49 and name HE2 ) 4.09 2.29 0.41 assign (resid 49 and name HG1 ) (resid 49 and name HE2 ) 4.09 2.29 0.41 assign (resid 20 and name HG1 ) (resid 20 and name HE* ) 3.97 2.17 0.40 assign (resid 49 and name HG1 ) (resid 49 and name HE1 ) 4.09 2.29 0.41 assign (resid 67 and name HD1* ) (resid 68 and name HD* ) 3.62 1.82 0.36 assign (resid 10 and name HB* ) (resid 10 and name HD1* ) 3.02 1.22 0.30 assign (resid 107 and name HB2 ) (resid 107 and name HD1* ) 3.37 1.57 0.34 assign (resid 4 and name HB2 ) (resid 4 and name HD2* ) 3.35 1.55 0.34 assign (resid 67 and name HB2 ) (resid 67 and name HD2* ) 3.30 1.50 0.33 assign (resid 78 and name HB2 ) (resid 78 and name HD2* ) 4.01 2.21 0.40 assign (resid 107 and name HB2 ) (resid 107 and name HD2* ) 3.49 1.69 0.35 assign (resid 19 and name HB1 ) (resid 19 and name HD1* ) 4.08 2.28 0.41 assign (resid 48 and name HB1 ) (resid 48 and name HD1* ) 3.95 2.15 0.40 assign (resid 67 and name HB1 ) (resid 67 and name HD1* ) 3.53 1.73 0.35 assign (resid 10 and name HB* ) (resid 10 and name HD2* ) 3.02 1.22 0.30 assign (resid 24 and name HB1 ) (resid 24 and name HD2* ) 3.69 1.89 0.37 assign (resid 67 and name HB1 ) (resid 67 and name HD2* ) 3.30 1.50 0.33 assign (resid 61 and name HG2* ) (resid 78 and name HD2* ) 3.71 1.91 0.37 assign (resid 109 and name HB1 ) (resid 109 and name HD2* ) 3.20 1.40 0.32 assign (resid 12 and name HB* ) (resid 12 and name HD* ) 3.27 1.47 0.33 assign (resid 25 and name HB* ) (resid 25 and name HD1 ) 4.17 2.37 0.42 assign (resid 3 and name HB2 ) (resid 3 and name HD* ) 3.43 1.63 0.34 assign (resid 75 and name HB2 ) (resid 75 and name HD1 ) 3.86 2.06 0.39 assign (resid 61 and name HB ) (resid 62 and name HD2 ) 4.46 2.66 0.45 assign (resid 69 and name HB2 ) (resid 69 and name HG* ) 2.96 1.16 0.30 assign (resid 3 and name HG* ) (resid 3 and name HD* ) 2.95 1.15 0.30 assign (resid 57 and name HB ) (resid 57 and name HD1* ) 4.02 2.22 0.40 assign (resid 82 and name HB ) (resid 82 and name HD1* ) 3.31 1.51 0.33 assign (resid 100 and name HB ) (resid 100 and name HD1* ) 3.98 2.18 0.40 assign (resid 57 and name HG2* ) (resid 57 and name HD1* ) 3.26 1.46 0.33 assign (resid 79 and name HG2* ) (resid 79 and name HD1* ) 3.24 1.44 0.32 assign (resid 100 and name HG2* ) (resid 100 and name HD1* ) 3.09 1.29 0.31 assign (resid 59 and name HG1* ) (resid 105 and name HD1* ) 3.30 1.50 0.33 assign (resid 100 and name HA ) (resid 100 and name HD1* ) 4.00 2.20 0.40 assign (resid 105 and name HG2* ) (resid 105 and name HD1* ) 3.14 1.34 0.31 assign (resid 14 and name HA ) (resid 14 and name HG2* ) 3.21 1.41 0.32 assign (resid 76 and name HA ) (resid 76 and name HG2* ) 4.03 2.23 0.40 assign (resid 85 and name HA ) (resid 85 and name HG2* ) 3.65 1.85 0.37 assign (resid 100 and name HA ) (resid 100 and name HG2* ) 3.72 1.92 0.37 assign (resid 9 and name HN ) (resid 9 and name HG2* ) 4.24 2.44 0.42 assign (resid 41 and name HN ) (resid 41 and name HG2* ) 4.22 2.42 0.42 assign (resid 87 and name HN ) (resid 88 and name HG2* ) 4.52 2.72 0.45 assign (resid 108 and name HG2* ) (resid 109 and name HN ) 3.68 1.88 0.37 assign (resid 8 and name HG2* ) (resid 8 and name HG12 ) 3.26 1.46 0.33 assign (resid 79 and name HG2* ) (resid 79 and name HG12 ) 3.62 1.82 0.36 assign (resid 100 and name HG2* ) (resid 100 and name HG12 ) 3.75 1.95 0.38 assign (resid 8 and name HG2* ) (resid 8 and name HG11 ) 3.26 1.46 0.33 assign (resid 30 and name HG2* ) (resid 30 and name HG11 ) 3.34 1.54 0.33 assign (resid 61 and name HG2* ) (resid 61 and name HG11 ) 3.76 1.96 0.38 assign (resid 79 and name HG2* ) (resid 79 and name HG11 ) 3.62 1.82 0.36 assign (resid 10 and name HN ) (resid 10 and name HD1* ) 4.21 2.41 0.42 assign (resid 24 and name HD1* ) (resid 27 and name HN ) 5.25 3.45 0.53 assign (resid 24 and name HD1* ) (resid 44 and name HE ) 5.50 3.70 0.55 assign (resid 61 and name HD1* ) (resid 105 and name HN ) 4.24 2.44 0.42 assign (resid 100 and name HN ) (resid 100 and name HD1* ) 4.42 2.62 0.44 assign (resid 89 and name HA ) (resid 91 and name HN ) 4.49 2.69 0.45 assign (resid 95 and name HA ) (resid 96 and name HN ) 3.55 1.75 0.35 assign (resid 34 and name HA ) (resid 35 and name HA1 ) 4.67 2.87 0.47 assign (resid 2 and name HB* ) (resid 3 and name HN ) 3.68 1.88 0.37 assign (resid 3 and name HB1 ) (resid 4 and name HN ) 4.88 3.08 0.49 assign (resid 11 and name HB1 ) (resid 12 and name HN ) 4.94 3.14 0.49 assign (resid 18 and name HB* ) (resid 19 and name HN ) 4.95 3.15 0.49 assign (resid 38 and name HB1 ) (resid 39 and name HN ) 3.59 1.79 0.36 assign (resid 51 and name HB1 ) (resid 52 and name HN ) 4.47 2.67 0.45 assign (resid 64 and name HB1 ) (resid 65 and name HN ) 4.88 3.08 0.49 assign (resid 95 and name HB1 ) (resid 96 and name HN ) 4.79 2.99 0.48 assign (resid 3 and name HB2 ) (resid 4 and name HN ) 4.88 3.08 0.49 assign (resid 11 and name HB2 ) (resid 12 and name HN ) 4.94 3.14 0.49 assign (resid 26 and name HB2 ) (resid 27 and name HN ) 4.22 2.42 0.42 assign (resid 32 and name HB2 ) (resid 33 and name HN ) 4.50 2.70 0.45 assign (resid 39 and name HB2 ) (resid 40 and name HN ) 4.29 2.49 0.43 assign (resid 51 and name HB2 ) (resid 52 and name HN ) 4.47 2.67 0.45 assign (resid 55 and name HB2 ) (resid 56 and name HN ) 4.21 2.41 0.42 assign (resid 60 and name HB2 ) (resid 61 and name HN ) 4.97 3.17 0.50 assign (resid 64 and name HB2 ) (resid 65 and name HN ) 4.88 3.08 0.49 assign (resid 95 and name HB2 ) (resid 96 and name HN ) 4.79 2.99 0.48 assign (resid 109 and name HB2 ) (resid 110 and name HN ) 4.55 2.75 0.46 assign (resid 9 and name HB ) (resid 10 and name HN ) 4.36 2.56 0.44 assign (resid 14 and name HB ) (resid 15 and name HN ) 3.87 2.07 0.39 assign (resid 37 and name HB ) (resid 38 and name HN ) 3.81 2.01 0.38 assign (resid 41 and name HB ) (resid 42 and name HN ) 4.89 3.09 0.49 assign (resid 88 and name HB ) (resid 89 and name HN ) 4.32 2.52 0.43 assign (resid 100 and name HB ) (resid 101 and name HN ) 4.57 2.77 0.46 assign (resid 3 and name HG* ) (resid 4 and name HN ) 3.80 2.00 0.38 assign (resid 12 and name HG2 ) (resid 13 and name HN ) 4.66 2.86 0.47 assign (resid 26 and name HG2 ) (resid 27 and name HN ) 4.74 2.94 0.47 assign (resid 27 and name HG2 ) (resid 28 and name HN ) 5.18 3.38 0.52 assign (resid 51 and name HG2 ) (resid 52 and name HN ) 5.50 3.70 0.55 assign (resid 51 and name HG1 ) (resid 52 and name HN ) 5.50 3.70 0.55 assign (resid 75 and name HG2 ) (resid 76 and name HN ) 4.99 3.19 0.50 assign (resid 77 and name HG2 ) (resid 78 and name HN ) 5.00 3.20 0.50 assign (resid 18 and name HG1 ) (resid 19 and name HN ) 5.14 3.34 0.51 assign (resid 27 and name HG1 ) (resid 28 and name HN ) 5.46 3.66 0.55 assign (resid 33 and name HG2 ) (resid 34 and name HN ) 5.50 3.70 0.55 assign (resid 33 and name HG1 ) (resid 34 and name HN ) 5.50 3.70 0.55 assign (resid 40 and name HG1 ) (resid 41 and name HN ) 4.71 2.91 0.47 assign (resid 75 and name HG1 ) (resid 76 and name HN ) 4.99 3.19 0.50 assign (resid 101 and name HG1 ) (resid 102 and name HN ) 5.08 3.28 0.51 assign (resid 10 and name HG ) (resid 11 and name HN ) 4.67 2.87 0.47 assign (resid 19 and name HG ) (resid 20 and name HN ) 5.50 3.70 0.55 assign (resid 61 and name HA ) (resid 61 and name HD1* ) 4.32 2.52 0.43 assign (resid 61 and name HA ) (resid 62 and name HD1 ) 4.09 2.29 0.41 assign (resid 58 and name HA ) (resid 59 and name HG2* ) 4.39 2.59 0.44 assign (resid 59 and name HG1* ) (resid 101 and name HA ) 4.42 2.62 0.44 assign (resid 100 and name HG2* ) (resid 101 and name HA ) 4.82 3.02 0.48 assign (resid 76 and name HG1* ) (resid 107 and name HD2* ) 3.39 1.59 0.34 assign (resid 107 and name HN ) (resid 107 and name HD2* ) 4.08 2.28 0.41 assign (resid 24 and name HD1* ) (resid 26 and name HA ) 4.67 2.87 0.47 assign (resid 78 and name HD1* ) (resid 102 and name HB* ) 4.49 2.69 0.45 assign (resid 59 and name HG1* ) (resid 78 and name HD1* ) 3.76 1.96 0.38 assign (resid 78 and name HD1* ) (resid 81 and name HB* ) 4.18 2.38 0.42 assign (resid 48 and name HD2* ) (resid 76 and name HG1* ) 4.64 2.84 0.46 assign (resid 76 and name HG1* ) (resid 107 and name HG ) 4.82 3.02 0.48 assign (resid 76 and name HG1* ) (resid 105 and name HG2* ) 3.58 1.78 0.36 assign (resid 21 and name HB1 ) (resid 76 and name HG1* ) 4.77 2.97 0.48 assign (resid 21 and name HB2 ) (resid 76 and name HG1* ) 4.45 2.65 0.44 assign (resid 70 and name HE* ) (resid 76 and name HG1* ) 3.94 2.14 0.39 assign (resid 76 and name HN ) (resid 76 and name HG1* ) 4.10 2.30 0.41 assign (resid 19 and name HD2* ) (resid 57 and name HD1* ) 3.20 1.40 0.32 assign (resid 16 and name HD* ) (resid 57 and name HD1* ) 4.46 2.66 0.45 assign (resid 16 and name HE* ) (resid 57 and name HD1* ) 4.60 2.80 0.46 assign (resid 48 and name HD2* ) (resid 76 and name HG2* ) 3.41 1.61 0.34 assign (resid 48 and name HD1* ) (resid 76 and name HG2* ) 3.44 1.64 0.34 assign (resid 21 and name HD* ) (resid 76 and name HG2* ) 4.88 3.08 0.49 assign (resid 70 and name HE* ) (resid 76 and name HG2* ) 5.44 3.64 0.54 assign (resid 79 and name HG11 ) (resid 106 and name HG2* ) 4.25 2.45 0.43 assign (resid 78 and name HA ) (resid 106 and name HG2* ) 4.61 2.81 0.46 assign (resid 59 and name HG1* ) (resid 78 and name HD2* ) 2.81 1.01 0.28 assign (resid 78 and name HD2* ) (resid 102 and name HB* ) 3.75 1.95 0.38 assign (resid 78 and name HN ) (resid 78 and name HD2* ) 4.44 2.64 0.44 assign (resid 61 and name HG2* ) (resid 105 and name HD1* ) 3.54 1.74 0.35 assign (resid 61 and name HD1* ) (resid 105 and name HD1* ) 3.82 2.02 0.38 assign (resid 59 and name HB ) (resid 105 and name HD1* ) 4.17 2.37 0.42 assign (resid 70 and name HE* ) (resid 105 and name HD1* ) 5.02 3.22 0.50 assign (resid 65 and name HG1* ) (resid 105 and name HD1* ) 4.96 3.16 0.50 assign (resid 102 and name HB* ) (resid 105 and name HD1* ) 5.39 3.59 0.54 assign (resid 79 and name HD1* ) (resid 103 and name HB1 ) 5.00 3.20 0.50 assign (resid 79 and name HD1* ) (resid 104 and name HB1 ) 4.95 3.15 0.49 assign (resid 78 and name HA ) (resid 79 and name HD1* ) 4.75 2.95 0.47 assign (resid 79 and name HD1* ) (resid 80 and name HN ) 4.48 2.68 0.45 assign (resid 57 and name HD1* ) (resid 100 and name HD1* ) 3.82 2.02 0.38 assign (resid 57 and name HB ) (resid 100 and name HD1* ) 4.19 2.39 0.42 assign (resid 16 and name HE* ) (resid 100 and name HD1* ) 4.11 2.31 0.41 assign (resid 16 and name HZ ) (resid 100 and name HD1* ) 4.28 2.48 0.43 assign (resid 19 and name HD1* ) (resid 78 and name HD1* ) 3.71 1.91 0.37 assign (resid 19 and name HD1* ) (resid 78 and name HG ) 3.90 2.10 0.39 assign (resid 29 and name HA ) (resid 41 and name HD1* ) 4.84 3.04 0.48 assign (resid 41 and name HD1* ) (resid 44 and name HE ) 4.42 2.62 0.44 assign (resid 16 and name HB1 ) (resid 19 and name HD2* ) 4.75 2.95 0.47 assign (resid 106 and name HG1* ) (resid 107 and name HN ) 4.12 2.32 0.41 assign (resid 76 and name HG2* ) (resid 105 and name HG2* ) 3.48 1.68 0.35 assign (resid 76 and name HB ) (resid 105 and name HG2* ) 3.45 1.65 0.34 assign (resid 70 and name HE* ) (resid 105 and name HG2* ) 3.72 1.92 0.37 assign (resid 105 and name HG2* ) (resid 106 and name HN ) 3.89 2.09 0.39 assign (resid 48 and name HD1* ) (resid 105 and name HD1* ) 3.38 1.58 0.34 assign (resid 48 and name HD1* ) (resid 57 and name HD1* ) 3.98 2.18 0.40 assign (resid 48 and name HD1* ) (resid 59 and name HB ) 4.17 2.37 0.42 assign (resid 30 and name HD1* ) (resid 40 and name HB* ) 3.34 1.54 0.33 assign (resid 30 and name HD1* ) (resid 31 and name HN ) 5.15 3.35 0.52 assign (resid 2 and name HB* ) (resid 4 and name HD1* ) 4.85 3.05 0.48 assign (resid 8 and name HG2* ) (resid 9 and name HN ) 3.78 1.98 0.38 assign (resid 82 and name HD1* ) (resid 101 and name HE* ) 4.31 2.51 0.43 assign (resid 82 and name HD1* ) (resid 83 and name HN ) 4.63 2.83 0.46 assign (resid 86 and name HN ) (resid 86 and name HG2* ) 4.17 2.37 0.42 assign (resid 86 and name HG2* ) (resid 87 and name HN ) 4.46 2.66 0.45 assign (resid 28 and name HA ) (resid 28 and name HG2* ) 3.49 1.69 0.35 assign (resid 67 and name HD2* ) (resid 69 and name HG* ) 3.73 1.93 0.37 assign (resid 21 and name HA ) (resid 48 and name HD2* ) 3.66 1.86 0.37 assign (resid 21 and name HD* ) (resid 48 and name HD2* ) 3.79 1.99 0.38 assign (resid 61 and name HD1* ) (resid 105 and name HB ) 4.13 2.33 0.41 assign (resid 61 and name HD1* ) (resid 68 and name HE2 ) 4.64 2.84 0.46 assign (resid 61 and name HD1* ) (resid 104 and name HA ) 4.49 2.69 0.45 assign (resid 79 and name HG2* ) (resid 103 and name HB2 ) 3.92 2.12 0.39 assign (resid 79 and name HG2* ) (resid 80 and name HB1 ) 4.39 2.59 0.44 assign (resid 79 and name HG2* ) (resid 103 and name HB1 ) 4.05 2.25 0.41 assign (resid 9 and name HN ) (resid 9 and name HG1* ) 4.24 2.44 0.42 assign (resid 28 and name HG2* ) (resid 29 and name HN ) 3.93 2.13 0.39 assign (resid 61 and name HG2* ) (resid 62 and name HD1 ) 4.23 2.43 0.42 assign (resid 30 and name HG11 ) (resid 40 and name HB* ) 4.25 2.45 0.43 assign (resid 24 and name HD1* ) (resid 67 and name HD1* ) 3.84 2.04 0.38 assign (resid 44 and name HE ) (resid 67 and name HD1* ) 4.53 2.73 0.45 assign (resid 61 and name HD1* ) (resid 65 and name HG1* ) 3.10 1.30 0.31 assign (resid 65 and name HA ) (resid 65 and name HG1* ) 3.79 1.99 0.38 assign (resid 59 and name HG1* ) (resid 102 and name HB* ) 3.25 1.45 0.33 assign (resid 74 and name HB* ) (resid 76 and name HG1* ) 3.93 2.13 0.39 assign (resid 21 and name HB1 ) (resid 74 and name HB* ) 4.36 2.56 0.44 assign (resid 21 and name HB2 ) (resid 74 and name HB* ) 4.52 2.72 0.45 assign (resid 71 and name HB1 ) (resid 74 and name HB* ) 4.10 2.30 0.41 assign (resid 70 and name HA ) (resid 74 and name HB* ) 4.44 2.64 0.44 assign (resid 21 and name HD* ) (resid 74 and name HB* ) 4.44 2.64 0.44 assign (resid 70 and name HD* ) (resid 74 and name HB* ) 4.60 2.80 0.46 assign (resid 79 and name HG11 ) (resid 104 and name HB1 ) 5.39 3.59 0.54 assign (resid 79 and name HG12 ) (resid 104 and name HB1 ) 5.39 3.59 0.54 assign (resid 24 and name HD1* ) (resid 44 and name HB1 ) 5.28 3.48 0.53 assign (resid 62 and name HA ) (resid 63 and name HB* ) 4.27 2.47 0.43 assign (resid 42 and name HA ) (resid 63 and name HB* ) 3.99 2.19 0.40 assign (resid 70 and name HE* ) (resid 105 and name HB ) 4.88 3.08 0.49 assign (resid 68 and name HE2 ) (resid 105 and name HB ) 4.70 2.90 0.47 assign (resid 30 and name HG11 ) (resid 42 and name HA ) 4.75 2.95 0.47 assign (resid 83 and name HB* ) (resid 100 and name HG2* ) 3.43 1.63 0.34 assign (resid 21 and name HE* ) (resid 23 and name HB* ) 4.70 2.90 0.47 assign (resid 23 and name HB* ) (resid 72 and name HE* ) 5.43 3.63 0.54 assign (resid 100 and name HA ) (resid 101 and name HD* ) 4.97 3.17 0.50 assign (resid 48 and name HA ) (resid 49 and name HD1 ) 5.50 3.70 0.55 assign (resid 82 and name HD1* ) (resid 101 and name HB1 ) 4.33 2.53 0.43 assign (resid 79 and name HB ) (resid 103 and name HB1 ) 4.53 2.73 0.45 assign (resid 61 and name HA ) (resid 62 and name HD2 ) 4.09 2.29 0.41 assign (resid 61 and name HG2* ) (resid 62 and name HD2 ) 4.23 2.43 0.42 assign (resid 62 and name HD1 ) (resid 65 and name HG2* ) 4.96 3.16 0.50 assign (resid 41 and name HG2* ) (resid 42 and name HA ) 4.83 3.03 0.48 assign (resid 36 and name HA ) (resid 37 and name HG2* ) 3.96 2.16 0.40 assign (resid 65 and name HA ) (resid 66 and name HG2 ) 4.76 2.96 0.48 assign (resid 65 and name HA ) (resid 66 and name HD2 ) 3.82 2.02 0.38 assign (resid 30 and name HD1* ) (resid 40 and name HA ) 4.31 2.51 0.43 assign (resid 9 and name HA ) (resid 10 and name HG ) 4.51 2.71 0.45 assign (resid 88 and name HA ) (resid 91 and name HD* ) 5.46 3.66 0.55 assign (resid 7 and name HA2 ) (resid 8 and name HG2* ) 4.81 3.01 0.48 assign (resid 65 and name HG1* ) (resid 66 and name HD2 ) 4.16 2.36 0.42 assign (resid 20 and name HB2 ) (resid 73 and name HA ) 4.08 2.28 0.41 assign (resid 37 and name HA ) (resid 38 and name HB1 ) 5.19 3.39 0.52 assign (resid 37 and name HA ) (resid 38 and name HB2 ) 4.51 2.71 0.45 assign (resid 30 and name HG2* ) (resid 38 and name HB1 ) 4.12 2.32 0.41 assign (resid 30 and name HD1* ) (resid 38 and name HB1 ) 4.50 2.70 0.45 assign (resid 19 and name HD2* ) (resid 50 and name HB1 ) 4.62 2.82 0.46 assign (resid 30 and name HA ) (resid 31 and name HB1 ) 5.37 3.57 0.54 assign (resid 30 and name HA ) (resid 31 and name HB2 ) 4.56 2.76 0.46 assign (resid 65 and name HG1* ) (resid 66 and name HD1 ) 4.16 2.36 0.42 assign (resid 65 and name HA ) (resid 66 and name HD1 ) 3.82 2.02 0.38 assign (resid 75 and name HB2 ) (resid 108 and name HB ) 4.26 2.46 0.43 assign (resid 28 and name HG2* ) (resid 42 and name HE* ) 5.45 3.65 0.55 assign (resid 97 and name HB* ) (resid 98 and name HN ) 4.39 2.59 0.44 assign (resid 2 and name HG* ) (resid 4 and name HD2* ) 5.33 3.53 0.53 assign (resid 71 and name HB2 ) (resid 74 and name HB* ) 4.10 2.30 0.41 assign (resid 31 and name HG2 ) (resid 37 and name HG2* ) 4.64 2.84 0.46 assign (resid 30 and name HD1* ) (resid 40 and name HG1 ) 4.13 2.33 0.41 assign (resid 67 and name HG ) (resid 69 and name HG* ) 4.14 2.34 0.41 assign (resid 61 and name HB ) (resid 62 and name HD1 ) 4.46 2.66 0.45 assign (resid 61 and name HB ) (resid 65 and name HG2* ) 4.69 2.89 0.47 assign (resid 29 and name HA ) (resid 30 and name HB ) 5.39 3.59 0.54 assign (resid 29 and name HA ) (resid 41 and name HB ) 5.50 3.70 0.55 assign (resid 77 and name HG2 ) (resid 108 and name HG2* ) 4.48 2.68 0.45 assign (resid 31 and name HG2 ) (resid 35 and name HA2 ) 4.70 2.90 0.47 assign (resid 31 and name HG1 ) (resid 35 and name HA2 ) 5.50 3.70 0.55 assign (resid 17 and name HA2 ) (resid 18 and name HB* ) 4.95 3.15 0.49 assign (resid 17 and name HA1 ) (resid 18 and name HB* ) 4.95 3.15 0.49 assign (resid 68 and name HE2 ) (resid 105 and name HG2* ) 4.88 3.08 0.49 assign (resid 80 and name HB2 ) (resid 103 and name HB2 ) 4.93 3.13 0.49 assign (resid 62 and name HB1 ) (resid 63 and name HB* ) 5.26 3.46 0.53 assign (resid 62 and name HB1 ) (resid 65 and name HG2* ) 5.08 3.28 0.51 assign (resid 62 and name HB2 ) (resid 63 and name HB* ) 4.55 2.75 0.46 assign (resid 80 and name HB2 ) (resid 103 and name HN ) 4.80 3.00 0.48 assign (resid 80 and name HB1 ) (resid 103 and name HN ) 4.80 3.00 0.48 assign (resid 68 and name HD* ) (resid 105 and name HB ) 4.46 2.66 0.45 assign (resid 68 and name HE1 ) (resid 105 and name HB ) 4.70 2.90 0.47 assign (resid 61 and name HD1* ) (resid 68 and name HE1 ) 4.64 2.84 0.46 assign (resid 68 and name HE1 ) (resid 105 and name HG2* ) 4.88 3.08 0.49 assign (resid 77 and name HG1 ) (resid 108 and name HG2* ) 4.48 2.68 0.45 assign (resid 108 and name HG2* ) (resid 109 and name HG ) 4.21 2.41 0.42 assign (resid 46 and name HH ) (resid 67 and name HA ) 4.88 3.08 0.49 assign (resid 30 and name HG2* ) (resid 31 and name HB1 ) 4.87 3.07 0.49 assign (resid 28 and name HB ) (resid 43 and name HN ) 5.08 3.28 0.51 assign (resid 41 and name HG2* ) (resid 44 and name HN ) 5.34 3.54 0.53 assign (resid 41 and name HG2* ) (resid 44 and name HE ) 5.50 3.70 0.55 assign (resid 24 and name HD2* ) (resid 27 and name HG2 ) 3.99 2.19 0.40 assign (resid 24 and name HD1* ) (resid 27 and name HG1 ) 4.73 2.93 0.47 assign (resid 26 and name HG1 ) (resid 28 and name HG1* ) 3.67 1.87 0.37 assign (resid 37 and name HG2* ) (resid 38 and name HN ) 4.11 2.31 0.41 assign (resid 37 and name HN ) (resid 37 and name HG1* ) 3.91 2.11 0.39 assign (resid 27 and name HB2 ) (resid 41 and name HG2* ) 4.08 2.28 0.41 assign (resid 108 and name HA ) (resid 109 and name HG ) 4.30 2.50 0.43 assign (resid 77 and name HG2 ) (resid 108 and name HA ) 4.29 2.49 0.43 assign (resid 79 and name HG12 ) (resid 104 and name HB2 ) 5.39 3.59 0.54 assign (resid 79 and name HG11 ) (resid 104 and name HB2 ) 5.39 3.59 0.54 assign (resid 104 and name HB2 ) (resid 106 and name HG1* ) 4.98 3.18 0.50 assign (resid 79 and name HD1* ) (resid 104 and name HB2 ) 4.95 3.15 0.49 assign (resid 104 and name HB1 ) (resid 106 and name HG1* ) 4.98 3.18 0.50 assign (resid 79 and name HB ) (resid 104 and name HB1 ) 4.94 3.14 0.49 assign (resid 79 and name HB ) (resid 104 and name HB2 ) 4.94 3.14 0.49 assign (resid 78 and name HD2* ) (resid 79 and name HB ) 4.79 2.99 0.48 assign (resid 48 and name HG ) (resid 59 and name HG2* ) 4.09 2.29 0.41 assign (resid 77 and name HG1 ) (resid 108 and name HA ) 4.29 2.49 0.43 assign (resid 81 and name HB* ) (resid 102 and name HB* ) 3.79 1.99 0.38 assign (resid 81 and name HB* ) (resid 100 and name HG2* ) 4.62 2.82 0.46 assign (resid 98 and name HN ) (resid 98 and name HD1 ) 4.13 2.33 0.41 assign (resid 98 and name HD1 ) (resid 99 and name HN ) 5.13 3.33 0.51 assign (resid 98 and name HA ) (resid 98 and name HD1 ) 4.06 2.26 0.41 assign (resid 57 and name HG2* ) (resid 98 and name HZ2 ) 4.19 2.39 0.42 assign (resid 98 and name HZ2 ) (resid 100 and name HD1* ) 4.42 2.62 0.44 assign (resid 57 and name HG2* ) (resid 98 and name HH2 ) 5.19 3.39 0.52 assign (resid 98 and name HH2 ) (resid 100 and name HG2* ) 5.39 3.59 0.54 assign (resid 98 and name HZ3 ) (resid 100 and name HG2* ) 4.20 2.40 0.42 assign (resid 83 and name HB* ) (resid 98 and name HE3 ) 4.39 2.59 0.44 assign (resid 98 and name HE3 ) (resid 100 and name HG2* ) 5.43 3.63 0.54 assign (resid 70 and name HA ) (resid 70 and name HD* ) 3.57 1.77 0.36 assign (resid 70 and name HD* ) (resid 105 and name HG2* ) 4.16 2.36 0.42 assign (resid 70 and name HD* ) (resid 107 and name HD1* ) 4.02 2.22 0.40 assign (resid 70 and name HD* ) (resid 76 and name HG1* ) 3.98 2.18 0.40 assign (resid 70 and name HD* ) (resid 107 and name HD2* ) 4.17 2.37 0.42 assign (resid 68 and name HB1 ) (resid 70 and name HE* ) 4.39 2.59 0.44 assign (resid 70 and name HZ ) (resid 107 and name HG ) 4.50 2.70 0.45 assign (resid 99 and name HA ) (resid 99 and name HD* ) 3.67 1.87 0.37 assign (resid 91 and name HA ) (resid 91 and name HD* ) 3.18 1.38 0.32 assign (resid 91 and name HN ) (resid 91 and name HD* ) 3.62 1.82 0.36 assign (resid 99 and name HD* ) (resid 100 and name HN ) 4.00 2.20 0.40 assign (resid 99 and name HN ) (resid 99 and name HD* ) 3.72 1.92 0.37 assign (resid 87 and name HB* ) (resid 91 and name HD* ) 3.54 1.74 0.35 assign (resid 24 and name HD2* ) (resid 46 and name HD* ) 4.41 2.61 0.44 assign (resid 90 and name HG2* ) (resid 91 and name HD* ) 4.03 2.23 0.40 assign (resid 24 and name HG ) (resid 46 and name HD* ) 4.80 3.00 0.48 assign (resid 45 and name HG2* ) (resid 99 and name HD* ) 4.97 3.17 0.50 assign (resid 46 and name HD* ) (resid 105 and name HD1* ) 3.57 1.77 0.36 assign (resid 46 and name HA ) (resid 46 and name HD* ) 3.91 2.11 0.39 assign (resid 22 and name HA ) (resid 72 and name HE* ) 3.87 2.07 0.39 assign (resid 72 and name HD* ) (resid 73 and name HN ) 3.89 2.09 0.39 assign (resid 72 and name HN ) (resid 72 and name HD* ) 4.28 2.48 0.43 assign (resid 22 and name HA ) (resid 72 and name HD* ) 3.63 1.83 0.36 assign (resid 72 and name HA ) (resid 72 and name HD* ) 3.55 1.75 0.35 assign (resid 46 and name HD* ) (resid 59 and name HN ) 5.50 3.70 0.55 assign (resid 46 and name HD* ) (resid 61 and name HN ) 5.50 3.70 0.55 assign (resid 46 and name HN ) (resid 46 and name HD* ) 4.15 2.35 0.42 assign (resid 25 and name HN ) (resid 46 and name HD* ) 4.30 2.50 0.43 assign (resid 16 and name HD* ) (resid 57 and name HG2* ) 4.17 2.37 0.42 assign (resid 21 and name HD* ) (resid 21 and name HZ ) 3.94 2.14 0.39 assign (resid 21 and name HZ ) (resid 24 and name HN ) 4.49 2.69 0.45 assign (resid 16 and name HZ ) (resid 57 and name HG2* ) 4.36 2.56 0.44 assign (resid 16 and name HZ ) (resid 100 and name HG2* ) 4.61 2.81 0.46 assign (resid 16 and name HD* ) (resid 19 and name HD1* ) 4.67 2.87 0.47 assign (resid 16 and name HD* ) (resid 100 and name HD1* ) 4.96 3.16 0.50 assign (resid 70 and name HE* ) (resid 107 and name HG ) 4.22 2.42 0.42 assign (resid 70 and name HE* ) (resid 107 and name HD1* ) 4.11 2.31 0.41 assign (resid 21 and name HZ ) (resid 46 and name HE* ) 4.50 2.70 0.45 assign (resid 24 and name HD1* ) (resid 46 and name HE* ) 3.98 2.18 0.40 assign (resid 46 and name HE* ) (resid 61 and name HD1* ) 3.81 2.01 0.38 assign (resid 46 and name HE* ) (resid 105 and name HB ) 4.74 2.94 0.47 assign (resid 46 and name HE* ) (resid 67 and name HD1* ) 3.94 2.14 0.39 assign (resid 24 and name HB2 ) (resid 46 and name HE* ) 4.36 2.56 0.44 assign (resid 24 and name HD2* ) (resid 46 and name HE* ) 4.32 2.52 0.43 assign (resid 91 and name HN ) (resid 91 and name HE* ) 5.31 3.51 0.53 assign (resid 87 and name HA ) (resid 91 and name HE* ) 4.42 2.62 0.44 assign (resid 87 and name HB* ) (resid 91 and name HE* ) 3.87 2.07 0.39 assign (resid 90 and name HG2* ) (resid 91 and name HE* ) 4.41 2.61 0.44 assign (resid 58 and name HB2 ) (resid 99 and name HE* ) 4.39 2.59 0.44 assign (resid 58 and name HB1 ) (resid 99 and name HE* ) 4.39 2.59 0.44 assign (resid 45 and name HG2* ) (resid 99 and name HE* ) 4.28 2.48 0.43 assign (resid 97 and name HB* ) (resid 98 and name HD1 ) 4.72 2.92 0.47 assign (resid 21 and name HZ ) (resid 23 and name HA ) 4.53 2.73 0.45 assign (resid 98 and name HA ) (resid 99 and name HD* ) 4.00 2.20 0.40 assign (resid 87 and name HA ) (resid 91 and name HD* ) 4.63 2.83 0.46 assign (resid 24 and name HA ) (resid 46 and name HD* ) 3.70 1.90 0.37 assign (resid 88 and name HA ) (resid 88 and name HB ) 2.59 0.79 0.26 assign (resid 33 and name HA ) (resid 33 and name HB* ) 2.94 1.14 0.29 assign (resid 1 and name HA ) (resid 1 and name HG* ) 3.90 2.10 0.39 assign (resid 25 and name HA ) (resid 25 and name HG2 ) 3.93 2.13 0.39 assign (resid 26 and name HA ) (resid 26 and name HG1 ) 4.09 2.29 0.41 assign (resid 29 and name HA ) (resid 29 and name HG2 ) 3.94 2.14 0.39 assign (resid 30 and name HA ) (resid 30 and name HG2* ) 3.23 1.43 0.32 assign (resid 40 and name HA ) (resid 40 and name HG2 ) 3.68 1.88 0.37 assign (resid 41 and name HA ) (resid 41 and name HG2* ) 3.27 1.47 0.33 assign (resid 30 and name HG12 ) (resid 42 and name HA ) 4.75 2.95 0.47 assign (resid 51 and name HA ) (resid 51 and name HG2 ) 4.19 2.39 0.42 assign (resid 53 and name HA ) (resid 53 and name HG2 ) 4.15 2.35 0.42 assign (resid 57 and name HA ) (resid 57 and name HG2* ) 3.70 1.90 0.37 assign (resid 69 and name HA ) (resid 69 and name HG* ) 3.31 1.51 0.33 assign (resid 77 and name HA ) (resid 77 and name HG2 ) 4.08 2.28 0.41 assign (resid 90 and name HA ) (resid 90 and name HG2* ) 3.38 1.58 0.34 assign (resid 96 and name HA ) (resid 96 and name HG2* ) 3.62 1.82 0.36 assign (resid 101 and name HA ) (resid 101 and name HG2 ) 4.18 2.38 0.42 assign (resid 106 and name HA ) (resid 106 and name HG2* ) 4.02 2.22 0.40 assign (resid 110 and name HA ) (resid 110 and name HG2 ) 3.91 2.11 0.39 assign (resid 2 and name HA ) (resid 2 and name HG* ) 3.71 1.91 0.37 assign (resid 18 and name HA ) (resid 18 and name HG1 ) 3.96 2.16 0.40 assign (resid 25 and name HA ) (resid 25 and name HG1 ) 3.93 2.13 0.39 assign (resid 27 and name HA ) (resid 27 and name HG1 ) 4.11 2.31 0.41 assign (resid 29 and name HA ) (resid 29 and name HG1 ) 3.94 2.14 0.39 assign (resid 40 and name HA ) (resid 40 and name HG1 ) 3.68 1.88 0.37 assign (resid 42 and name HA ) (resid 42 and name HG1 ) 4.19 2.39 0.42 assign (resid 51 and name HA ) (resid 51 and name HG1 ) 4.19 2.39 0.42 assign (resid 77 and name HA ) (resid 77 and name HG1 ) 4.08 2.28 0.41 assign (resid 101 and name HA ) (resid 101 and name HG1 ) 4.16 2.36 0.42 assign (resid 4 and name HA ) (resid 4 and name HG ) 3.79 1.99 0.38 assign (resid 48 and name HA ) (resid 49 and name HD2 ) 5.50 3.70 0.55 assign (resid 67 and name HA ) (resid 67 and name HG ) 4.25 2.45 0.43 assign (resid 78 and name HA ) (resid 78 and name HG ) 4.22 2.42 0.42 assign (resid 4 and name HA ) (resid 4 and name HD1* ) 3.62 1.82 0.36 assign (resid 8 and name HA ) (resid 8 and name HG2* ) 3.17 1.37 0.32 assign (resid 30 and name HA ) (resid 30 and name HD1* ) 3.97 2.17 0.40 assign (resid 48 and name HA ) (resid 48 and name HD1* ) 4.23 2.43 0.42 assign (resid 57 and name HA ) (resid 57 and name HD1* ) 4.80 3.00 0.48 assign (resid 78 and name HA ) (resid 78 and name HD1* ) 4.63 2.83 0.46 assign (resid 82 and name HA ) (resid 100 and name HG2* ) 4.92 3.12 0.49 assign (resid 78 and name HD2* ) (resid 105 and name HA ) 3.99 2.19 0.40 assign (resid 4 and name HA ) (resid 4 and name HD2* ) 3.54 1.74 0.35 assign (resid 10 and name HA ) (resid 10 and name HD2* ) 4.42 2.62 0.44 assign (resid 16 and name HA ) (resid 16 and name HD* ) 4.04 2.24 0.40 assign (resid 20 and name HA ) (resid 20 and name HD2 ) 5.03 3.23 0.50 assign (resid 21 and name HA ) (resid 21 and name HD* ) 4.41 2.61 0.44 assign (resid 24 and name HA ) (resid 24 and name HD2* ) 4.69 2.89 0.47 assign (resid 25 and name HA ) (resid 25 and name HD2 ) 3.64 1.84 0.36 assign (resid 51 and name HA ) (resid 51 and name HD* ) 4.11 2.31 0.41 assign (resid 25 and name HA ) (resid 25 and name HD1 ) 3.64 1.84 0.36 assign (resid 42 and name HA ) (resid 42 and name HD1 ) 4.13 2.33 0.41 assign (resid 55 and name HA ) (resid 55 and name HD* ) 4.54 2.74 0.45 assign (resid 41 and name HA ) (resid 41 and name HG12 ) 3.97 2.17 0.40 assign (resid 82 and name HA ) (resid 83 and name HB* ) 5.19 3.39 0.52 assign (resid 8 and name HA ) (resid 8 and name HG11 ) 3.90 2.10 0.39 assign (resid 30 and name HA ) (resid 30 and name HG11 ) 3.88 2.08 0.39 assign (resid 41 and name HA ) (resid 41 and name HG11 ) 3.97 2.17 0.40 assign (resid 9 and name HA ) (resid 9 and name HG1* ) 3.51 1.71 0.35 assign (resid 37 and name HA ) (resid 37 and name HG1* ) 3.20 1.40 0.32 assign (resid 96 and name HA ) (resid 96 and name HG1* ) 3.62 1.82 0.36 assign (resid 70 and name HA ) (resid 70 and name HE* ) 4.57 2.77 0.46 assign (resid 72 and name HA ) (resid 72 and name HE* ) 5.50 3.70 0.55 assign (resid 91 and name HA ) (resid 91 and name HE* ) 4.88 3.08 0.49 assign (resid 98 and name HA ) (resid 98 and name HE3 ) 4.98 3.18 0.50 assign (resid 25 and name HB* ) (resid 47 and name HA ) 5.50 3.70 0.55 assign (resid 24 and name HB2 ) (resid 24 and name HD2* ) 3.32 1.52 0.33 assign (resid 42 and name HB1 ) (resid 42 and name HD1 ) 3.99 2.19 0.40 assign (resid 109 and name HA ) (resid 109 and name HG ) 4.12 2.32 0.41 assign (resid 3 and name HA ) (resid 3 and name HG* ) 3.81 2.01 0.38 assign (resid 18 and name HA ) (resid 18 and name HG2 ) 3.96 2.16 0.40 assign (resid 31 and name HA ) (resid 31 and name HG2 ) 3.85 2.05 0.38 assign (resid 31 and name HA ) (resid 31 and name HG1 ) 3.88 2.08 0.39 assign (resid 110 and name HA ) (resid 110 and name HG1 ) 3.91 2.11 0.39 assign (resid 41 and name HG2* ) (resid 41 and name HG12 ) 3.35 1.55 0.34 assign (resid 82 and name HG2* ) (resid 82 and name HG12 ) 3.23 1.43 0.32 assign (resid 4 and name HB1 ) (resid 4 and name HD2* ) 3.35 1.55 0.34 assign (resid 51 and name HB1 ) (resid 51 and name HD* ) 3.76 1.96 0.38 assign (resid 12 and name HG2 ) (resid 12 and name HE* ) 3.40 1.60 0.34 assign (resid 20 and name HG2 ) (resid 20 and name HE* ) 3.97 2.17 0.40 assign (resid 51 and name HG2 ) (resid 51 and name HE* ) 3.47 1.67 0.35 assign (resid 51 and name HG1 ) (resid 51 and name HE* ) 3.47 1.67 0.35 assign (resid 12 and name HG1 ) (resid 12 and name HE* ) 3.40 1.60 0.34 assign (resid 101 and name HG1 ) (resid 101 and name HE* ) 3.41 1.61 0.34 assign (resid 42 and name HG2 ) (resid 42 and name HE* ) 3.72 1.92 0.37 assign (resid 49 and name HG2 ) (resid 49 and name HE1 ) 4.09 2.29 0.41 assign (resid 42 and name HG1 ) (resid 42 and name HE* ) 3.72 1.92 0.37 assign (resid 51 and name HD* ) (resid 51 and name HE* ) 2.81 1.01 0.28 assign (resid 78 and name HD1* ) (resid 105 and name HD1* ) 4.48 2.68 0.45 assign (resid 109 and name HB2 ) (resid 109 and name HD1* ) 3.20 1.40 0.32 assign (resid 109 and name HB2 ) (resid 109 and name HD2* ) 3.20 1.40 0.32 assign (resid 4 and name HB2 ) (resid 4 and name HD1* ) 3.30 1.50 0.33 assign (resid 24 and name HB2 ) (resid 24 and name HD1* ) 3.91 2.11 0.39 assign (resid 48 and name HB2 ) (resid 48 and name HD1* ) 3.95 2.15 0.40 assign (resid 67 and name HB2 ) (resid 67 and name HD1* ) 3.53 1.73 0.35 assign (resid 48 and name HB2 ) (resid 48 and name HD2* ) 3.65 1.85 0.37 assign (resid 4 and name HB1 ) (resid 4 and name HD1* ) 3.30 1.50 0.33 assign (resid 24 and name HB1 ) (resid 24 and name HD1* ) 3.72 1.92 0.37 assign (resid 107 and name HB1 ) (resid 107 and name HD1* ) 3.37 1.57 0.34 assign (resid 109 and name HB1 ) (resid 109 and name HD1* ) 3.20 1.40 0.32 assign (resid 48 and name HB1 ) (resid 48 and name HD2* ) 3.65 1.85 0.37 assign (resid 78 and name HB1 ) (resid 78 and name HD2* ) 4.01 2.21 0.40 assign (resid 107 and name HB1 ) (resid 107 and name HD2* ) 3.49 1.69 0.35 assign (resid 3 and name HB1 ) (resid 3 and name HD* ) 3.43 1.63 0.34 assign (resid 26 and name HB1 ) (resid 26 and name HD1 ) 3.93 2.13 0.39 assign (resid 75 and name HB1 ) (resid 75 and name HD1 ) 3.86 2.06 0.39 assign (resid 26 and name HB2 ) (resid 26 and name HD1 ) 3.93 2.13 0.39 assign (resid 42 and name HB2 ) (resid 42 and name HD1 ) 3.99 2.19 0.40 assign (resid 51 and name HB2 ) (resid 51 and name HD* ) 3.76 1.96 0.38 assign (resid 25 and name HB* ) (resid 25 and name HD2 ) 4.17 2.37 0.42 assign (resid 26 and name HB1 ) (resid 26 and name HD2 ) 3.93 2.13 0.39 assign (resid 75 and name HB1 ) (resid 75 and name HD2 ) 3.86 2.06 0.39 assign (resid 26 and name HB2 ) (resid 26 and name HD2 ) 3.93 2.13 0.39 assign (resid 29 and name HB2 ) (resid 29 and name HD* ) 3.80 2.00 0.38 assign (resid 42 and name HB2 ) (resid 42 and name HD2 ) 3.99 2.19 0.40 assign (resid 75 and name HB2 ) (resid 75 and name HD2 ) 3.86 2.06 0.39 assign (resid 29 and name HB1 ) (resid 29 and name HD* ) 3.80 2.00 0.38 assign (resid 30 and name HB ) (resid 30 and name HD1* ) 3.25 1.45 0.33 assign (resid 41 and name HB ) (resid 41 and name HD1* ) 3.42 1.62 0.34 assign (resid 61 and name HB ) (resid 61 and name HD1* ) 3.88 2.08 0.39 assign (resid 79 and name HB ) (resid 79 and name HD1* ) 3.91 2.11 0.39 assign (resid 82 and name HG2* ) (resid 82 and name HD1* ) 2.40 0.60 0.24 assign (resid 8 and name HA ) (resid 8 and name HD1* ) 4.29 2.49 0.43 assign (resid 41 and name HA ) (resid 41 and name HD1* ) 3.89 2.09 0.39 assign (resid 109 and name HA ) (resid 109 and name HD1* ) 4.09 2.29 0.41 assign (resid 30 and name HG2* ) (resid 30 and name HD1* ) 2.40 0.60 0.24 assign (resid 41 and name HG2* ) (resid 41 and name HD1* ) 2.40 0.60 0.24 assign (resid 37 and name HA ) (resid 37 and name HG2* ) 3.19 1.39 0.32 assign (resid 45 and name HA ) (resid 45 and name HG2* ) 3.82 2.02 0.38 assign (resid 59 and name HA ) (resid 59 and name HG1* ) 3.79 1.99 0.38 assign (resid 59 and name HA ) (resid 59 and name HG2* ) 4.13 2.33 0.41 assign (resid 65 and name HA ) (resid 65 and name HG2* ) 3.52 1.72 0.35 assign (resid 20 and name HA ) (resid 76 and name HG2* ) 4.27 2.47 0.43 assign (resid 79 and name HA ) (resid 79 and name HG2* ) 3.56 1.76 0.36 assign (resid 82 and name HA ) (resid 82 and name HG2* ) 3.57 1.77 0.36 assign (resid 88 and name HA ) (resid 88 and name HG2* ) 3.28 1.48 0.33 assign (resid 105 and name HA ) (resid 105 and name HG2* ) 3.63 1.83 0.36 assign (resid 108 and name HA ) (resid 108 and name HG2* ) 3.28 1.48 0.33 assign (resid 61 and name HG2* ) (resid 61 and name HG12 ) 3.76 1.96 0.38 assign (resid 100 and name HG2* ) (resid 101 and name HG1 ) 4.80 3.00 0.48 assign (resid 100 and name HG2* ) (resid 102 and name HB* ) 4.37 2.57 0.44 assign (resid 10 and name HA ) (resid 10 and name HD1* ) 4.42 2.62 0.44 assign (resid 24 and name HA ) (resid 24 and name HD1* ) 3.86 2.06 0.39 assign (resid 67 and name HA ) (resid 67 and name HD1* ) 3.45 1.65 0.34 assign (resid 79 and name HA ) (resid 79 and name HD1* ) 3.42 1.62 0.34 assign (resid 82 and name HA ) (resid 82 and name HD1* ) 4.29 2.49 0.43 assign (resid 105 and name HA ) (resid 105 and name HD1* ) 4.55 2.75 0.46 assign (resid 107 and name HA ) (resid 107 and name HD1* ) 4.20 2.40 0.42 assign (resid 19 and name HA ) (resid 19 and name HD2* ) 3.81 2.01 0.38 assign (resid 48 and name HA ) (resid 48 and name HD2* ) 3.69 1.89 0.37 assign (resid 67 and name HA ) (resid 67 and name HD2* ) 4.28 2.48 0.43 assign (resid 78 and name HA ) (resid 78 and name HD2* ) 3.52 1.72 0.35 assign (resid 107 and name HA ) (resid 107 and name HD2* ) 3.43 1.63 0.34 assign (resid 109 and name HA ) (resid 109 and name HD2* ) 3.15 1.35 0.32 assign (resid 45 and name HA ) (resid 60 and name HA ) 3.70 1.90 0.37 assign (resid 45 and name HG2* ) (resid 58 and name HA ) 4.69 2.89 0.47 assign (resid 61 and name HA ) (resid 65 and name HG2* ) 5.12 3.32 0.51 assign (resid 76 and name HA ) (resid 108 and name HG2* ) 4.93 3.13 0.49 assign (resid 76 and name HA ) (resid 105 and name HG2* ) 4.50 2.70 0.45 assign (resid 19 and name HA ) (resid 50 and name HA ) 4.69 2.89 0.47 assign (resid 20 and name HA ) (resid 75 and name HA ) 4.11 2.31 0.41 assign (resid 81 and name HA ) (resid 100 and name HG2* ) 4.58 2.78 0.46 assign (resid 59 and name HA ) (resid 100 and name HB ) 4.63 2.83 0.46 assign (resid 49 and name HA ) (resid 56 and name HA ) 3.94 2.14 0.39 assign (resid 70 and name HZ ) (resid 106 and name HA ) 4.23 2.43 0.42 assign (resid 70 and name HE* ) (resid 106 and name HA ) 4.78 2.98 0.48 assign (resid 81 and name HB* ) (resid 102 and name HA ) 4.69 2.89 0.47 assign (resid 82 and name HD1* ) (resid 102 and name HA ) 5.25 3.45 0.53 assign (resid 100 and name HG2* ) (resid 102 and name HA ) 5.50 3.70 0.55 assign (resid 81 and name HA ) (resid 102 and name HA ) 3.90 2.10 0.39 assign (resid 24 and name HD2* ) (resid 44 and name HA ) 5.50 3.70 0.55 assign (resid 28 and name HG1* ) (resid 44 and name HA ) 5.50 3.70 0.55 assign (resid 44 and name HA ) (resid 45 and name HG2* ) 5.50 3.70 0.55 assign (resid 27 and name HB2 ) (resid 44 and name HA ) 5.50 3.70 0.55 assign (resid 27 and name HG1 ) (resid 44 and name HA ) 5.50 3.70 0.55 assign (resid 83 and name HB* ) (resid 84 and name HA ) 4.60 2.80 0.46 assign (resid 82 and name HD1* ) (resid 84 and name HA ) 5.05 3.25 0.51 assign (resid 43 and name HA ) (resid 63 and name HB* ) 4.14 2.34 0.41 assign (resid 28 and name HG2* ) (resid 29 and name HA ) 4.80 3.00 0.48 assign (resid 29 and name HA ) (resid 37 and name HG1* ) 5.50 3.70 0.55 assign (resid 29 and name HA ) (resid 41 and name HG2* ) 4.22 2.42 0.42 assign (resid 24 and name HA ) (resid 46 and name HA ) 4.14 2.34 0.41 assign (resid 61 and name HG2* ) (resid 104 and name HA ) 3.63 1.83 0.36 assign (resid 65 and name HG1* ) (resid 104 and name HA ) 4.48 2.68 0.45 assign (resid 102 and name HB* ) (resid 104 and name HA ) 4.94 3.14 0.49 assign (resid 57 and name HA ) (resid 100 and name HD1* ) 4.97 3.17 0.50 assign (resid 16 and name HA ) (resid 16 and name HE* ) 5.09 3.29 0.51 assign (resid 62 and name HD2 ) (resid 65 and name HG2* ) 4.96 3.16 0.50 assign (resid 21 and name HE* ) (resid 23 and name HA ) 4.16 2.36 0.42 assign (resid 21 and name HD* ) (resid 23 and name HA ) 4.82 3.02 0.48 assign (resid 108 and name HG2* ) (resid 109 and name HA ) 4.59 2.79 0.46 assign (resid 76 and name HA ) (resid 107 and name HA ) 3.98 2.18 0.40 assign (resid 29 and name HA ) (resid 41 and name HA ) 3.63 1.83 0.36 assign (resid 74 and name HB* ) (resid 107 and name HD2* ) 3.25 1.45 0.33 assign (resid 76 and name HA ) (resid 107 and name HD2* ) 4.25 2.45 0.43 assign (resid 70 and name HE* ) (resid 107 and name HD2* ) 4.31 2.51 0.43 assign (resid 24 and name HD1* ) (resid 27 and name HG2 ) 4.58 2.78 0.46 assign (resid 24 and name HD1* ) (resid 44 and name HA ) 4.69 2.89 0.47 assign (resid 24 and name HD1* ) (resid 46 and name HA ) 4.62 2.82 0.46 assign (resid 24 and name HD1* ) (resid 27 and name HA ) 5.37 3.57 0.54 assign (resid 70 and name HA ) (resid 107 and name HD2* ) 5.16 3.36 0.52 assign (resid 24 and name HD1* ) (resid 46 and name HD* ) 4.31 2.51 0.43 assign (resid 59 and name HG2* ) (resid 78 and name HD1* ) 3.93 2.13 0.39 assign (resid 76 and name HG1* ) (resid 105 and name HB ) 5.50 3.70 0.55 assign (resid 76 and name HG1* ) (resid 107 and name HA ) 3.97 2.17 0.40 assign (resid 76 and name HA ) (resid 76 and name HG1* ) 3.70 1.90 0.37 assign (resid 79 and name HG12 ) (resid 106 and name HG2* ) 4.25 2.45 0.43 assign (resid 105 and name HA ) (resid 106 and name HG2* ) 4.87 3.07 0.49 assign (resid 59 and name HB ) (resid 78 and name HD2* ) 4.88 3.08 0.49 assign (resid 46 and name HE* ) (resid 105 and name HD1* ) 4.58 2.78 0.46 assign (resid 79 and name HD1* ) (resid 106 and name HB ) 4.31 2.51 0.43 assign (resid 83 and name HB* ) (resid 100 and name HD1* ) 3.85 2.05 0.38 assign (resid 19 and name HD1* ) (resid 77 and name HA ) 4.15 2.35 0.42 assign (resid 41 and name HD1* ) (resid 63 and name HB* ) 4.18 2.38 0.42 assign (resid 27 and name HB1 ) (resid 41 and name HD1* ) 4.06 2.26 0.41 assign (resid 27 and name HB2 ) (resid 41 and name HD1* ) 4.02 2.22 0.40 assign (resid 29 and name HD* ) (resid 41 and name HD1* ) 4.15 2.35 0.42 assign (resid 27 and name HA ) (resid 41 and name HD1* ) 5.12 3.32 0.51 assign (resid 16 and name HB2 ) (resid 19 and name HD2* ) 4.75 2.95 0.47 assign (resid 19 and name HD2* ) (resid 50 and name HB2 ) 4.62 2.82 0.46 assign (resid 16 and name HA ) (resid 19 and name HD2* ) 4.73 2.93 0.47 assign (resid 19 and name HD2* ) (resid 50 and name HA ) 3.86 2.06 0.39 assign (resid 106 and name HA ) (resid 106 and name HG1* ) 3.33 1.53 0.33 assign (resid 30 and name HD1* ) (resid 42 and name HA ) 4.12 2.32 0.41 assign (resid 21 and name HE* ) (resid 48 and name HD2* ) 4.87 3.07 0.49 assign (resid 46 and name HD* ) (resid 48 and name HD2* ) 5.27 3.47 0.53 assign (resid 59 and name HG1* ) (resid 61 and name HD1* ) 5.19 3.39 0.52 assign (resid 61 and name HD1* ) (resid 105 and name HG2* ) 5.50 3.70 0.55 assign (resid 79 and name HG2* ) (resid 80 and name HB2 ) 4.39 2.59 0.44 assign (resid 46 and name HD* ) (resid 61 and name HG2* ) 4.93 3.13 0.49 assign (resid 46 and name HE* ) (resid 61 and name HG2* ) 4.88 3.08 0.49 assign (resid 29 and name HB1 ) (resid 37 and name HG1* ) 3.95 2.15 0.40 assign (resid 25 and name HB* ) (resid 45 and name HG2* ) 3.75 1.95 0.38 assign (resid 45 and name HG2* ) (resid 60 and name HA ) 4.33 2.53 0.43 assign (resid 67 and name HD1* ) (resid 69 and name HG* ) 4.73 2.93 0.47 assign (resid 24 and name HB2 ) (resid 67 and name HD1* ) 4.72 2.92 0.47 assign (resid 44 and name HD2 ) (resid 67 and name HD1* ) 4.21 2.41 0.42 assign (resid 44 and name HD1 ) (resid 67 and name HD1* ) 4.21 2.41 0.42 assign (resid 81 and name HA ) (resid 102 and name HB* ) 3.90 2.10 0.39 assign (resid 74 and name HB* ) (resid 107 and name HD1* ) 4.37 2.57 0.44 assign (resid 41 and name HG2* ) (resid 63 and name HB* ) 3.28 1.48 0.33 assign (resid 41 and name HB ) (resid 63 and name HB* ) 3.70 1.90 0.37 assign (resid 87 and name HB* ) (resid 99 and name HD* ) 4.41 2.61 0.44 assign (resid 87 and name HB* ) (resid 99 and name HE* ) 5.42 3.62 0.54 assign (resid 26 and name HG1 ) (resid 45 and name HB ) 5.15 3.35 0.52 assign (resid 68 and name HB1 ) (resid 69 and name HB2 ) 5.06 3.26 0.51 assign (resid 4 and name HD1* ) (resid 5 and name HB* ) 4.23 2.43 0.42 assign (resid 30 and name HA ) (resid 30 and name HG12 ) 3.88 2.08 0.39 assign (resid 83 and name HB* ) (resid 98 and name HZ3 ) 4.78 2.98 0.48 assign (resid 20 and name HA ) (resid 20 and name HD1 ) 5.03 3.23 0.50 assign (resid 84 and name HA ) (resid 101 and name HD* ) 4.77 2.97 0.48 assign (resid 77 and name HB1 ) (resid 106 and name HG2* ) 4.18 2.38 0.42 assign (resid 101 and name HA ) (resid 101 and name HD* ) 4.33 2.53 0.43 assign (resid 26 and name HB2 ) (resid 45 and name HB ) 5.01 3.21 0.50 assign (resid 26 and name HB1 ) (resid 45 and name HB ) 5.01 3.21 0.50 assign (resid 61 and name HG2* ) (resid 105 and name HA ) 4.74 2.94 0.47 assign (resid 27 and name HA ) (resid 44 and name HA ) 3.63 1.83 0.36 assign (resid 43 and name HG2 ) (resid 62 and name HA ) 5.50 3.70 0.55 assign (resid 43 and name HG1 ) (resid 62 and name HA ) 5.50 3.70 0.55 assign (resid 26 and name HG2 ) (resid 45 and name HB ) 4.26 2.46 0.43 assign (resid 25 and name HB* ) (resid 45 and name HB ) 4.91 3.11 0.49 assign (resid 75 and name HB1 ) (resid 108 and name HB ) 4.26 2.46 0.43 assign (resid 68 and name HA ) (resid 68 and name HD* ) 4.21 2.41 0.42 assign (resid 44 and name HD2 ) (resid 67 and name HA ) 4.76 2.96 0.48 assign (resid 44 and name HD1 ) (resid 67 and name HA ) 4.76 2.96 0.48 assign (resid 22 and name HB1 ) (resid 47 and name HB2 ) 5.50 3.70 0.55 assign (resid 22 and name HB1 ) (resid 47 and name HB1 ) 5.10 3.30 0.51 assign (resid 21 and name HA ) (resid 48 and name HA ) 4.61 2.81 0.46 assign (resid 21 and name HA ) (resid 48 and name HD1* ) 4.74 2.94 0.47 assign (resid 21 and name HA ) (resid 76 and name HG2* ) 4.95 3.15 0.49 assign (resid 21 and name HA ) (resid 76 and name HG1* ) 5.04 3.24 0.50 assign (resid 31 and name HB1 ) (resid 32 and name HA ) 5.39 3.59 0.54 assign (resid 32 and name HA ) (resid 33 and name HB* ) 5.50 3.70 0.55 assign (resid 31 and name HG2 ) (resid 32 and name HA ) 5.50 3.70 0.55 assign (resid 30 and name HG2* ) (resid 32 and name HA ) 4.15 2.35 0.42 assign (resid 43 and name HA ) (resid 63 and name HA ) 4.54 2.74 0.45 assign (resid 31 and name HA ) (resid 37 and name HA ) 3.25 1.45 0.33 assign (resid 85 and name HA ) (resid 86 and name HG1* ) 5.50 3.70 0.55 assign (resid 85 and name HA ) (resid 86 and name HG2* ) 5.50 3.70 0.55 assign (resid 24 and name HD2* ) (resid 26 and name HA ) 4.09 2.29 0.41 assign (resid 28 and name HA ) (resid 28 and name HG1* ) 3.28 1.48 0.33 assign (resid 86 and name HA ) (resid 86 and name HG1* ) 3.71 1.91 0.37 assign (resid 86 and name HA ) (resid 86 and name HG2* ) 3.71 1.91 0.37 assign (resid 38 and name HB1 ) (resid 40 and name HB* ) 4.39 2.59 0.44 assign (resid 38 and name HB2 ) (resid 40 and name HB* ) 4.81 3.01 0.48 assign (resid 30 and name HB ) (resid 38 and name HB2 ) 3.93 2.13 0.39 assign (resid 30 and name HB ) (resid 38 and name HB1 ) 3.65 1.85 0.37 assign (resid 37 and name HG1* ) (resid 38 and name HB1 ) 4.70 2.90 0.47 assign (resid 30 and name HG2* ) (resid 38 and name HB2 ) 3.74 1.94 0.37 assign (resid 30 and name HD1* ) (resid 42 and name HE* ) 4.83 3.03 0.48 assign (resid 27 and name HG2 ) (resid 41 and name HD1* ) 5.23 3.43 0.52 assign (resid 82 and name HD1* ) (resid 101 and name HD* ) 3.82 2.02 0.38 assign (resid 83 and name HA ) (resid 100 and name HD1* ) 4.81 3.01 0.48 assign (resid 46 and name HD* ) (resid 61 and name HD1* ) 4.99 3.19 0.50 assign (resid 59 and name HG1* ) (resid 61 and name HG2* ) 3.51 1.71 0.35 assign (resid 77 and name HB2 ) (resid 108 and name HG2* ) 3.82 2.02 0.38 assign (resid 77 and name HB1 ) (resid 108 and name HG2* ) 3.82 2.02 0.38 assign (resid 25 and name HD2 ) (resid 45 and name HG2* ) 4.85 3.05 0.48 assign (resid 25 and name HD1 ) (resid 45 and name HG2* ) 4.85 3.05 0.48 assign (resid 45 and name HG2* ) (resid 58 and name HG2 ) 4.51 2.71 0.45 assign (resid 45 and name HG2* ) (resid 58 and name HG1 ) 4.51 2.71 0.45 assign (resid 2 and name HB* ) (resid 4 and name HD2* ) 4.23 2.43 0.42 assign (resid 101 and name HG2 ) (resid 101 and name HE* ) 3.54 1.74 0.35 assign (resid 62 and name HG2 ) (resid 65 and name HG2* ) 4.71 2.91 0.47 assign (resid 62 and name HG1 ) (resid 65 and name HG2* ) 4.71 2.91 0.47 assign (resid 30 and name HG12 ) (resid 40 and name HB* ) 4.25 2.45 0.43 assign (resid 61 and name HD1* ) (resid 65 and name HB ) 3.84 2.04 0.38 assign (resid 29 and name HB2 ) (resid 37 and name HG1* ) 3.95 2.15 0.40 assign (resid 29 and name HD* ) (resid 37 and name HB ) 4.88 3.08 0.49 assign (resid 24 and name HD1* ) (resid 44 and name HB2 ) 5.28 3.48 0.53 assign (resid 31 and name HG1 ) (resid 37 and name HG2* ) 4.10 2.30 0.41 assign (resid 31 and name HG2 ) (resid 37 and name HA ) 4.18 2.38 0.42 assign (resid 31 and name HG1 ) (resid 37 and name HA ) 4.22 2.42 0.42 assign (resid 82 and name HD1* ) (resid 101 and name HB2 ) 4.33 2.53 0.43 assign (resid 30 and name HD1* ) (resid 40 and name HG2 ) 4.13 2.33 0.41 assign (resid 72 and name HD* ) (resid 73 and name HB2 ) 5.35 3.55 0.54 assign (resid 72 and name HD* ) (resid 73 and name HB1 ) 5.35 3.55 0.54 assign (resid 80 and name HB1 ) (resid 103 and name HB2 ) 4.93 3.13 0.49 assign (resid 24 and name HD2* ) (resid 27 and name HG1 ) 4.13 2.33 0.41 assign (resid 30 and name HB ) (resid 38 and name HA ) 5.50 3.70 0.55 assign (resid 87 and name HB* ) (resid 99 and name HB1 ) 5.35 3.55 0.54 assign (resid 87 and name HB* ) (resid 99 and name HB2 ) 5.35 3.55 0.54 assign (resid 21 and name HB1 ) (resid 48 and name HD2* ) 5.17 3.37 0.52 assign (resid 46 and name HB1 ) (resid 48 and name HD1* ) 4.98 3.18 0.50 assign (resid 46 and name HB2 ) (resid 48 and name HD1* ) 4.98 3.18 0.50 assign (resid 22 and name HB2 ) (resid 47 and name HB2 ) 5.50 3.70 0.55 assign (resid 30 and name HA ) (resid 42 and name HE* ) 5.50 3.70 0.55 assign (resid 23 and name HA ) (resid 47 and name HB2 ) 4.85 3.05 0.48 assign (resid 47 and name HB2 ) (resid 48 and name HD2* ) 4.85 3.05 0.48 assign (resid 30 and name HG2* ) (resid 42 and name HE* ) 4.31 2.51 0.43 assign (resid 12 and name HB* ) (resid 12 and name HE* ) 3.69 1.89 0.37 assign (resid 29 and name HA ) (resid 29 and name HD* ) 3.75 1.95 0.38 assign (resid 3 and name HA ) (resid 3 and name HD* ) 4.06 2.26 0.41 assign (resid 29 and name HD* ) (resid 41 and name HA ) 4.45 2.65 0.44 assign (resid 31 and name HG2 ) (resid 35 and name HA1 ) 5.50 3.70 0.55 assign (resid 7 and name HA1 ) (resid 8 and name HG2* ) 4.81 3.01 0.48 assign (resid 68 and name HB1 ) (resid 68 and name HD* ) 3.85 2.05 0.38 assign (resid 20 and name HA ) (resid 73 and name HA ) 4.89 3.09 0.49 assign (resid 32 and name HA ) (resid 33 and name HA ) 4.76 2.96 0.48 assign (resid 26 and name HA ) (resid 27 and name HG1 ) 3.52 1.72 0.35 assign (resid 43 and name HA ) (resid 62 and name HA ) 3.76 1.96 0.38 assign (resid 37 and name HG1* ) (resid 38 and name HB2 ) 4.48 2.68 0.45 assign (resid 22 and name HB2 ) (resid 47 and name HB1 ) 5.10 3.30 0.51 assign (resid 65 and name HG1* ) (resid 66 and name HA ) 4.55 2.75 0.46 assign (resid 89 and name HB* ) (resid 90 and name HA ) 5.00 3.20 0.50 assign (resid 24 and name HG ) (resid 26 and name HA ) 4.27 2.47 0.43 assign (resid 83 and name HA ) (resid 100 and name HA ) 3.94 2.14 0.39 assign (resid 31 and name HA ) (resid 37 and name HG1* ) 3.75 1.95 0.38 assign (resid 41 and name HG2* ) (resid 63 and name HA ) 4.34 2.54 0.43 assign (resid 41 and name HB ) (resid 63 and name HA ) 4.72 2.92 0.47 assign (resid 67 and name HD2* ) (resid 69 and name HA ) 4.59 2.79 0.46 assign (resid 20 and name HB1 ) (resid 73 and name HA ) 4.08 2.28 0.41 assign (resid 26 and name HD2 ) (resid 28 and name HG1* ) 4.59 2.79 0.46 assign (resid 26 and name HD1 ) (resid 28 and name HG1* ) 4.59 2.79 0.46 assign (resid 29 and name HD* ) (resid 37 and name HG1* ) 3.45 1.65 0.34 assign (resid 29 and name HD* ) (resid 41 and name HG2* ) 4.30 2.50 0.43 assign (resid 61 and name HG2* ) (resid 104 and name HB2 ) 5.50 3.70 0.55 assign (resid 79 and name HG2* ) (resid 104 and name HB2 ) 5.50 3.70 0.55 assign (resid 30 and name HB ) (resid 40 and name HB* ) 3.84 2.04 0.38 assign (resid 77 and name HG1 ) (resid 106 and name HG2* ) 4.13 2.33 0.41 assign (resid 77 and name HG2 ) (resid 106 and name HG2* ) 4.13 2.33 0.41 assign (resid 77 and name HB2 ) (resid 106 and name HG2* ) 4.18 2.38 0.42 assign (resid 104 and name HA ) (resid 105 and name HD1* ) 4.93 3.13 0.49 assign (resid 78 and name HD2* ) (resid 104 and name HA ) 4.50 2.70 0.45 assign (resid 83 and name HB* ) (resid 100 and name HA ) 4.30 2.50 0.43 assign (resid 78 and name HA ) (resid 106 and name HG1* ) 4.95 3.15 0.49 assign (resid 20 and name HA ) (resid 20 and name HE* ) 4.85 3.05 0.48 assign (resid 20 and name HE* ) (resid 75 and name HA ) 5.50 3.70 0.55 assign (resid 61 and name HA ) (resid 62 and name HG2 ) 5.03 3.23 0.50 assign (resid 61 and name HA ) (resid 62 and name HG1 ) 5.03 3.23 0.50 assign (resid 27 and name HB1 ) (resid 41 and name HG2* ) 4.01 2.21 0.40 assign (resid 67 and name HD2* ) (resid 68 and name HB2 ) 5.50 3.70 0.55 assign (resid 26 and name HG2 ) (resid 28 and name HG1* ) 3.58 1.78 0.36 assign (resid 61 and name HG2* ) (resid 104 and name HB1 ) 5.50 3.70 0.55 assign (resid 79 and name HG2* ) (resid 104 and name HB1 ) 5.50 3.70 0.55 assign (resid 21 and name HZ ) (resid 23 and name HB* ) 5.00 3.20 0.50 assign (resid 59 and name HG1* ) (resid 100 and name HB ) 4.73 2.93 0.47 assign (resid 59 and name HG2* ) (resid 100 and name HB ) 3.83 2.03 0.38 assign (resid 3 and name HN ) (resid 3 and name HB* ) 3.33 1.53 0.33 assign (resid 3 and name HB* ) (resid 3 and name HG* ) 2.42 0.62 0.24 assign (resid 3 and name HB* ) (resid 4 and name HN ) 4.19 2.39 0.42 assign (resid 3 and name HB* ) (resid 4 and name HD2* ) 4.63 2.83 0.46 assign (resid 4 and name HN ) (resid 4 and name HB* ) 3.36 1.56 0.34 assign (resid 4 and name HB* ) (resid 4 and name HD1* ) 2.83 1.03 0.28 assign (resid 4 and name HB* ) (resid 5 and name HN ) 3.71 1.91 0.37 assign (resid 6 and name HB* ) (resid 6 and name HD2* ) 3.06 1.26 0.31 assign (resid 6 and name HB* ) (resid 7 and name HN ) 3.88 2.08 0.39 assign (resid 7 and name HA* ) (resid 8 and name HG2* ) 4.21 2.41 0.42 assign (resid 8 and name HN ) (resid 8 and name HG1* ) 3.51 1.71 0.35 assign (resid 8 and name HG1* ) (resid 9 and name HN ) 4.42 2.62 0.44 assign (resid 8 and name HG1* ) (resid 9 and name HB ) 5.18 3.38 0.52 assign (resid 9 and name HN ) (resid 9 and name HG* ) 3.59 1.79 0.36 assign (resid 9 and name HG* ) (resid 10 and name HN ) 4.04 2.24 0.40 assign (resid 9 and name HG* ) (resid 10 and name HG ) 4.23 2.43 0.42 assign (resid 10 and name HA ) (resid 10 and name HD* ) 3.36 1.56 0.34 assign (resid 10 and name HD* ) (resid 11 and name HN ) 3.42 1.62 0.34 assign (resid 12 and name HN ) (resid 12 and name HG* ) 4.12 2.32 0.41 assign (resid 12 and name HG* ) (resid 13 and name HN ) 3.96 2.16 0.40 assign (resid 16 and name HB* ) (resid 17 and name HN ) 4.21 2.41 0.42 assign (resid 16 and name HB* ) (resid 19 and name HD1* ) 4.25 2.45 0.43 assign (resid 16 and name HB* ) (resid 19 and name HD2* ) 3.88 2.08 0.39 assign (resid 17 and name HA* ) (resid 18 and name HB* ) 4.27 2.47 0.43 assign (resid 17 and name HA* ) (resid 19 and name HD2* ) 5.01 3.21 0.50 assign (resid 18 and name HN ) (resid 18 and name HG* ) 3.52 1.72 0.35 assign (resid 18 and name HA ) (resid 18 and name HG* ) 3.46 1.66 0.35 assign (resid 18 and name HG* ) (resid 19 and name HN ) 4.27 2.47 0.43 assign (resid 18 and name HG* ) (resid 75 and name HD* ) 4.64 2.84 0.46 assign (resid 19 and name HB* ) (resid 19 and name HD1* ) 3.40 1.60 0.34 assign (resid 19 and name HB* ) (resid 19 and name HD2* ) 3.15 1.35 0.32 assign (resid 19 and name HB* ) (resid 57 and name HD1* ) 5.06 3.26 0.51 assign (resid 19 and name HB* ) (resid 76 and name HG2* ) 3.92 2.12 0.39 assign (resid 19 and name HD2* ) (resid 48 and name HB* ) 4.06 2.26 0.41 assign (resid 19 and name HD2* ) (resid 50 and name HB* ) 3.94 2.14 0.39 assign (resid 20 and name HN ) (resid 20 and name HB* ) 3.59 1.79 0.36 assign (resid 20 and name HN ) (resid 20 and name HD* ) 5.34 3.54 0.53 assign (resid 20 and name HN ) (resid 48 and name HB* ) 5.34 3.54 0.53 assign (resid 20 and name HN ) (resid 49 and name HB* ) 4.46 2.66 0.45 assign (resid 20 and name HA ) (resid 20 and name HD* ) 4.35 2.55 0.44 assign (resid 20 and name HA ) (resid 75 and name HG* ) 4.93 3.13 0.49 assign (resid 20 and name HB* ) (resid 20 and name HD* ) 3.17 1.37 0.32 assign (resid 20 and name HB* ) (resid 20 and name HE* ) 3.80 2.00 0.38 assign (resid 20 and name HB* ) (resid 21 and name HN ) 4.06 2.26 0.41 assign (resid 20 and name HB* ) (resid 49 and name HN ) 4.70 2.90 0.47 assign (resid 20 and name HB* ) (resid 73 and name HN ) 4.58 2.78 0.46 assign (resid 20 and name HB* ) (resid 73 and name HA ) 3.48 1.68 0.35 assign (resid 20 and name HB* ) (resid 73 and name HB* ) 5.18 3.38 0.52 assign (resid 20 and name HB* ) (resid 75 and name HA ) 5.34 3.54 0.53 assign (resid 20 and name HG* ) (resid 20 and name HE* ) 3.41 1.61 0.34 assign (resid 20 and name HG* ) (resid 21 and name HN ) 4.73 2.93 0.47 assign (resid 20 and name HG* ) (resid 75 and name HA ) 4.47 2.67 0.45 assign (resid 20 and name HG* ) (resid 75 and name HG* ) 4.52 2.72 0.45 assign (resid 20 and name HD* ) (resid 73 and name HB* ) 4.40 2.60 0.44 assign (resid 20 and name HD* ) (resid 75 and name HA ) 5.34 3.54 0.53 assign (resid 21 and name HA ) (resid 48 and name HB* ) 4.90 3.10 0.49 assign (resid 21 and name HD* ) (resid 70 and name HB* ) 5.21 3.41 0.52 assign (resid 22 and name HB* ) (resid 23 and name HN ) 3.48 1.68 0.35 assign (resid 22 and name HB* ) (resid 47 and name HB2 ) 4.84 3.04 0.48 assign (resid 22 and name HB* ) (resid 47 and name HB1 ) 4.49 2.69 0.45 assign (resid 24 and name HD1* ) (resid 44 and name HB* ) 4.47 2.67 0.45 assign (resid 24 and name HD1* ) (resid 44 and name HD* ) 4.25 2.45 0.43 assign (resid 24 and name HD2* ) (resid 44 and name HD* ) 4.89 3.09 0.49 assign (resid 25 and name HN ) (resid 25 and name HG* ) 4.12 2.32 0.41 assign (resid 25 and name HA ) (resid 25 and name HG* ) 3.31 1.51 0.33 assign (resid 25 and name HA ) (resid 25 and name HD* ) 3.19 1.39 0.32 assign (resid 25 and name HB* ) (resid 25 and name HD* ) 3.35 1.55 0.34 assign (resid 25 and name HG* ) (resid 26 and name HN ) 3.61 1.81 0.36 assign (resid 25 and name HG* ) (resid 26 and name HB* ) 4.37 2.57 0.44 assign (resid 25 and name HG* ) (resid 45 and name HB ) 3.85 2.05 0.38 assign (resid 25 and name HD* ) (resid 26 and name HA ) 5.34 3.54 0.53 assign (resid 26 and name HA ) (resid 26 and name HD* ) 4.22 2.42 0.42 assign (resid 26 and name HB* ) (resid 26 and name HD* ) 2.96 1.16 0.30 assign (resid 26 and name HB* ) (resid 28 and name HG1* ) 4.22 2.42 0.42 assign (resid 26 and name HB* ) (resid 45 and name HB ) 4.30 2.50 0.43 assign (resid 26 and name HD* ) (resid 27 and name HN ) 5.16 3.36 0.52 assign (resid 26 and name HD* ) (resid 28 and name HG1* ) 3.72 1.92 0.37 assign (resid 28 and name HG1* ) (resid 42 and name HB* ) 4.63 2.83 0.46 assign (resid 28 and name HG2* ) (resid 42 and name HB* ) 3.55 1.75 0.35 assign (resid 28 and name HG2* ) (resid 42 and name HD* ) 5.34 3.54 0.53 assign (resid 29 and name HN ) (resid 29 and name HB* ) 3.16 1.36 0.32 assign (resid 29 and name HN ) (resid 29 and name HG* ) 3.14 1.34 0.31 assign (resid 29 and name HB* ) (resid 29 and name HG* ) 2.34 0.54 0.23 assign (resid 29 and name HB* ) (resid 29 and name HD* ) 3.04 1.24 0.30 assign (resid 29 and name HB* ) (resid 30 and name HA ) 4.98 3.18 0.50 assign (resid 29 and name HB* ) (resid 30 and name HB ) 5.18 3.38 0.52 assign (resid 29 and name HB* ) (resid 30 and name HG1* ) 5.18 3.38 0.52 assign (resid 29 and name HB* ) (resid 37 and name HG1* ) 3.18 1.38 0.32 assign (resid 29 and name HB* ) (resid 41 and name HG1* ) 4.68 2.88 0.47 assign (resid 29 and name HG* ) (resid 30 and name HN ) 4.63 2.83 0.46 assign (resid 29 and name HG* ) (resid 41 and name HA ) 4.18 2.38 0.42 assign (resid 30 and name HA ) (resid 30 and name HG1* ) 3.38 1.58 0.34 assign (resid 30 and name HB ) (resid 40 and name HG* ) 5.34 3.54 0.53 assign (resid 30 and name HG2* ) (resid 30 and name HG1* ) 2.92 1.12 0.29 assign (resid 30 and name HG2* ) (resid 42 and name HD* ) 4.46 2.66 0.45 assign (resid 30 and name HG1* ) (resid 31 and name HN ) 4.54 2.74 0.45 assign (resid 30 and name HG1* ) (resid 38 and name HB2 ) 5.34 3.54 0.53 assign (resid 30 and name HG1* ) (resid 38 and name HB1 ) 4.95 3.15 0.49 assign (resid 30 and name HG1* ) (resid 41 and name HN ) 4.58 2.78 0.46 assign (resid 30 and name HG1* ) (resid 41 and name HA ) 4.29 2.49 0.43 assign (resid 30 and name HG1* ) (resid 42 and name HN ) 5.06 3.26 0.51 assign (resid 30 and name HG1* ) (resid 42 and name HA ) 3.98 2.18 0.40 assign (resid 30 and name HG1* ) (resid 42 and name HB* ) 4.47 2.67 0.45 assign (resid 30 and name HG1* ) (resid 42 and name HD* ) 2.98 1.18 0.30 assign (resid 30 and name HD1* ) (resid 40 and name HG* ) 3.54 1.74 0.35 assign (resid 30 and name HD1* ) (resid 42 and name HB* ) 5.34 3.54 0.53 assign (resid 32 and name HN ) (resid 32 and name HD2* ) 3.83 2.03 0.38 assign (resid 32 and name HA ) (resid 33 and name HG* ) 5.34 3.54 0.53 assign (resid 32 and name HB2 ) (resid 32 and name HD2* ) 3.13 1.33 0.31 assign (resid 32 and name HD2* ) (resid 38 and name HA ) 3.74 1.94 0.37 assign (resid 32 and name HD2* ) (resid 38 and name HB2 ) 3.88 2.08 0.39 assign (resid 32 and name HD2* ) (resid 38 and name HB1 ) 4.71 2.91 0.47 assign (resid 33 and name HN ) (resid 33 and name HG* ) 4.27 2.47 0.43 assign (resid 33 and name HA ) (resid 33 and name HG* ) 3.70 1.90 0.37 assign (resid 34 and name HN ) (resid 34 and name HB* ) 3.10 1.30 0.31 assign (resid 34 and name HB* ) (resid 35 and name HN ) 4.16 2.36 0.42 assign (resid 36 and name HN ) (resid 36 and name HB* ) 3.37 1.57 0.34 assign (resid 36 and name HB* ) (resid 37 and name HN ) 3.06 1.26 0.31 assign (resid 36 and name HB* ) (resid 37 and name HG2* ) 3.87 2.07 0.39 assign (resid 39 and name HN ) (resid 39 and name HB* ) 3.04 1.24 0.30 assign (resid 40 and name HN ) (resid 40 and name HG* ) 3.67 1.87 0.37 assign (resid 40 and name HG* ) (resid 41 and name HN ) 3.89 2.09 0.39 assign (resid 41 and name HN ) (resid 41 and name HG1* ) 3.53 1.73 0.35 assign (resid 41 and name HG2* ) (resid 41 and name HG1* ) 2.93 1.13 0.29 assign (resid 41 and name HG2* ) (resid 42 and name HB* ) 4.37 2.57 0.44 assign (resid 42 and name HN ) (resid 42 and name HG* ) 4.47 2.67 0.45 assign (resid 42 and name HA ) (resid 42 and name HG* ) 3.42 1.62 0.34 assign (resid 42 and name HA ) (resid 42 and name HD* ) 3.40 1.60 0.34 assign (resid 42 and name HB* ) (resid 42 and name HD* ) 2.30 0.50 0.23 assign (resid 42 and name HB* ) (resid 43 and name HG* ) 4.36 2.56 0.44 assign (resid 42 and name HG* ) (resid 43 and name HN ) 4.05 2.25 0.41 assign (resid 43 and name HA ) (resid 43 and name HG* ) 3.73 1.93 0.37 assign (resid 43 and name HB* ) (resid 62 and name HA ) 4.74 2.94 0.47 assign (resid 43 and name HG* ) (resid 44 and name HN ) 4.20 2.40 0.42 assign (resid 44 and name HN ) (resid 44 and name HB* ) 3.70 1.90 0.37 assign (resid 44 and name HN ) (resid 44 and name HG* ) 4.10 2.30 0.41 assign (resid 44 and name HN ) (resid 61 and name HG1* ) 4.59 2.79 0.46 assign (resid 44 and name HB* ) (resid 45 and name HN ) 4.40 2.60 0.44 assign (resid 44 and name HB* ) (resid 46 and name HE* ) 4.65 2.85 0.47 assign (resid 44 and name HG* ) (resid 45 and name HN ) 5.02 3.22 0.50 assign (resid 45 and name HA ) (resid 60 and name HB* ) 5.33 3.53 0.53 assign (resid 45 and name HG2* ) (resid 58 and name HB* ) 3.90 2.10 0.39 assign (resid 45 and name HG2* ) (resid 58 and name HG* ) 3.82 2.02 0.38 assign (resid 46 and name HB* ) (resid 47 and name HN ) 3.65 1.85 0.37 assign (resid 46 and name HB* ) (resid 48 and name HD2* ) 5.03 3.23 0.50 assign (resid 46 and name HB* ) (resid 105 and name HD1* ) 4.42 2.62 0.44 assign (resid 46 and name HE* ) (resid 61 and name HG1* ) 3.79 1.99 0.38 assign (resid 48 and name HN ) (resid 57 and name HG1* ) 4.87 3.07 0.49 assign (resid 48 and name HA ) (resid 49 and name HD* ) 4.70 2.90 0.47 assign (resid 48 and name HB* ) (resid 49 and name HN ) 3.87 2.07 0.39 assign (resid 48 and name HB* ) (resid 57 and name HG1* ) 4.41 2.61 0.44 assign (resid 48 and name HB* ) (resid 57 and name HD1* ) 4.45 2.65 0.44 assign (resid 48 and name HD2* ) (resid 49 and name HD* ) 5.34 3.54 0.53 assign (resid 49 and name HN ) (resid 49 and name HB* ) 3.61 1.81 0.36 assign (resid 49 and name HN ) (resid 49 and name HG* ) 4.15 2.35 0.42 assign (resid 49 and name HN ) (resid 49 and name HD* ) 4.12 2.32 0.41 assign (resid 49 and name HA ) (resid 49 and name HD* ) 4.39 2.59 0.44 assign (resid 49 and name HB* ) (resid 49 and name HD* ) 2.87 1.07 0.29 assign (resid 49 and name HB* ) (resid 49 and name HE* ) 4.37 2.57 0.44 assign (resid 49 and name HG* ) (resid 49 and name HE* ) 2.98 1.18 0.30 assign (resid 50 and name HN ) (resid 50 and name HB* ) 3.63 1.83 0.36 assign (resid 51 and name HA ) (resid 51 and name HG* ) 3.40 1.60 0.34 assign (resid 51 and name HB* ) (resid 51 and name HD* ) 3.05 1.25 0.31 assign (resid 51 and name HB* ) (resid 52 and name HN ) 3.87 2.07 0.39 assign (resid 51 and name HG* ) (resid 51 and name HE* ) 3.00 1.20 0.30 assign (resid 51 and name HG* ) (resid 52 and name HN ) 4.83 3.03 0.48 assign (resid 53 and name HA ) (resid 53 and name HG* ) 3.65 1.85 0.37 assign (resid 53 and name HB* ) (resid 53 and name HG* ) 2.26 0.46 0.23 assign (resid 53 and name HB* ) (resid 55 and name HN ) 3.91 2.11 0.39 assign (resid 55 and name HB* ) (resid 56 and name HN ) 3.48 1.68 0.35 assign (resid 55 and name HG* ) (resid 56 and name HN ) 4.31 2.51 0.43 assign (resid 56 and name HN ) (resid 56 and name HB* ) 3.20 1.40 0.32 assign (resid 56 and name HN ) (resid 56 and name HG* ) 3.95 2.15 0.40 assign (resid 56 and name HG* ) (resid 57 and name HN ) 4.39 2.59 0.44 assign (resid 57 and name HG2* ) (resid 57 and name HG1* ) 3.35 1.55 0.34 assign (resid 58 and name HN ) (resid 58 and name HG* ) 4.68 2.88 0.47 assign (resid 58 and name HB* ) (resid 99 and name HD* ) 3.88 2.08 0.39 assign (resid 60 and name HB* ) (resid 61 and name HN ) 4.11 2.31 0.41 assign (resid 60 and name HB* ) (resid 101 and name HA ) 4.37 2.57 0.44 assign (resid 61 and name HN ) (resid 61 and name HG1* ) 3.63 1.83 0.36 assign (resid 61 and name HA ) (resid 62 and name HD* ) 3.56 1.76 0.36 assign (resid 61 and name HB ) (resid 62 and name HD* ) 3.75 1.95 0.38 assign (resid 61 and name HG2* ) (resid 105 and name HG1* ) 4.23 2.43 0.42 assign (resid 61 and name HD1* ) (resid 68 and name HE* ) 3.90 2.10 0.39 assign (resid 62 and name HG* ) (resid 63 and name HN ) 5.03 3.23 0.50 assign (resid 62 and name HG* ) (resid 65 and name HN ) 4.60 2.80 0.46 assign (resid 62 and name HD* ) (resid 65 and name HG2* ) 4.23 2.43 0.42 assign (resid 64 and name HN ) (resid 64 and name HB* ) 3.47 1.67 0.35 assign (resid 65 and name HA ) (resid 66 and name HG* ) 4.05 2.25 0.41 assign (resid 65 and name HA ) (resid 66 and name HD* ) 3.31 1.51 0.33 assign (resid 65 and name HG1* ) (resid 68 and name HE* ) 4.01 2.21 0.40 assign (resid 66 and name HA ) (resid 67 and name HB* ) 4.72 2.92 0.47 assign (resid 66 and name HG* ) (resid 67 and name HN ) 4.40 2.60 0.44 assign (resid 67 and name HB* ) (resid 67 and name HD1* ) 3.04 1.24 0.30 assign (resid 67 and name HB* ) (resid 68 and name HN ) 4.01 2.21 0.40 assign (resid 68 and name HN ) (resid 68 and name HG* ) 3.94 2.14 0.39 assign (resid 68 and name HB1 ) (resid 68 and name HE* ) 5.04 3.24 0.50 assign (resid 68 and name HB1 ) (resid 70 and name HB* ) 4.60 2.80 0.46 assign (resid 68 and name HG* ) (resid 68 and name HE* ) 3.34 1.54 0.33 assign (resid 68 and name HG* ) (resid 105 and name HG2* ) 3.48 1.68 0.35 assign (resid 68 and name HE* ) (resid 105 and name HN ) 4.28 2.48 0.43 assign (resid 68 and name HE* ) (resid 105 and name HB ) 3.83 2.03 0.38 assign (resid 68 and name HE* ) (resid 105 and name HG2* ) 4.15 2.35 0.42 assign (resid 68 and name HE* ) (resid 105 and name HG1* ) 5.05 3.25 0.51 assign (resid 68 and name HE* ) (resid 105 and name HD1* ) 4.58 2.78 0.46 assign (resid 70 and name HN ) (resid 70 and name HB* ) 3.26 1.46 0.33 assign (resid 70 and name HB* ) (resid 74 and name HB* ) 3.95 2.15 0.40 assign (resid 70 and name HB* ) (resid 107 and name HD2* ) 4.56 2.76 0.46 assign (resid 71 and name HN ) (resid 71 and name HB* ) 3.14 1.34 0.31 assign (resid 71 and name HB* ) (resid 72 and name HN ) 3.34 1.54 0.33 assign (resid 72 and name HB* ) (resid 73 and name HN ) 4.40 2.60 0.44 assign (resid 73 and name HB* ) (resid 73 and name HD2* ) 3.16 1.36 0.32 assign (resid 75 and name HN ) (resid 75 and name HG* ) 3.33 1.53 0.33 assign (resid 75 and name HN ) (resid 75 and name HD* ) 4.40 2.60 0.44 assign (resid 75 and name HA ) (resid 75 and name HG* ) 3.72 1.92 0.37 assign (resid 75 and name HA ) (resid 75 and name HD* ) 4.37 2.57 0.44 assign (resid 75 and name HB* ) (resid 75 and name HD* ) 2.99 1.19 0.30 assign (resid 75 and name HB* ) (resid 108 and name HN ) 5.34 3.54 0.53 assign (resid 75 and name HB* ) (resid 108 and name HB ) 3.71 1.91 0.37 assign (resid 75 and name HG* ) (resid 108 and name HB ) 4.68 2.88 0.47 assign (resid 76 and name HG1* ) (resid 107 and name HB* ) 5.34 3.54 0.53 assign (resid 77 and name HN ) (resid 77 and name HB* ) 3.62 1.82 0.36 assign (resid 77 and name HN ) (resid 77 and name HG* ) 3.55 1.75 0.35 assign (resid 77 and name HA ) (resid 77 and name HG* ) 3.44 1.64 0.34 assign (resid 77 and name HB* ) (resid 79 and name HD1* ) 5.34 3.54 0.53 assign (resid 77 and name HB* ) (resid 106 and name HG2* ) 3.61 1.81 0.36 assign (resid 77 and name HB* ) (resid 108 and name HG2* ) 3.32 1.52 0.33 assign (resid 77 and name HG* ) (resid 78 and name HN ) 4.22 2.42 0.42 assign (resid 77 and name HG* ) (resid 78 and name HA ) 4.98 3.18 0.50 assign (resid 77 and name HG* ) (resid 79 and name HD1* ) 4.39 2.59 0.44 assign (resid 77 and name HG* ) (resid 106 and name HN ) 4.64 2.84 0.46 assign (resid 77 and name HG* ) (resid 106 and name HG2* ) 3.54 1.74 0.35 assign (resid 77 and name HG* ) (resid 108 and name HA ) 3.67 1.87 0.37 assign (resid 77 and name HG* ) (resid 108 and name HG2* ) 3.71 1.91 0.37 assign (resid 78 and name HN ) (resid 78 and name HB* ) 3.55 1.75 0.35 assign (resid 78 and name HB* ) (resid 78 and name HD2* ) 3.38 1.58 0.34 assign (resid 78 and name HB* ) (resid 102 and name HB* ) 4.76 2.96 0.48 assign (resid 78 and name HD2* ) (resid 104 and name HB* ) 5.34 3.54 0.53 assign (resid 78 and name HD2* ) (resid 105 and name HG1* ) 3.98 2.18 0.40 assign (resid 79 and name HN ) (resid 79 and name HG1* ) 3.50 1.70 0.35 assign (resid 79 and name HG2* ) (resid 79 and name HG1* ) 3.10 1.30 0.31 assign (resid 79 and name HG2* ) (resid 80 and name HB* ) 3.60 1.80 0.36 assign (resid 79 and name HG2* ) (resid 80 and name HD2* ) 3.45 1.65 0.34 assign (resid 79 and name HG1* ) (resid 103 and name HB1 ) 4.49 2.69 0.45 assign (resid 79 and name HG1* ) (resid 104 and name HN ) 4.67 2.87 0.47 assign (resid 79 and name HG1* ) (resid 104 and name HB* ) 3.92 2.12 0.39 assign (resid 79 and name HG1* ) (resid 106 and name HG1* ) 3.61 1.81 0.36 assign (resid 80 and name HB* ) (resid 80 and name HD2* ) 2.90 1.10 0.29 assign (resid 80 and name HB* ) (resid 103 and name HN ) 4.21 2.41 0.42 assign (resid 80 and name HB* ) (resid 103 and name HB2 ) 4.29 2.49 0.43 assign (resid 82 and name HG2* ) (resid 82 and name HG1* ) 2.79 0.99 0.28 assign (resid 82 and name HG1* ) (resid 83 and name HN ) 4.65 2.85 0.47 assign (resid 82 and name HG1* ) (resid 101 and name HB* ) 4.22 2.42 0.42 assign (resid 82 and name HD1* ) (resid 84 and name HB* ) 4.52 2.72 0.45 assign (resid 82 and name HD1* ) (resid 101 and name HB* ) 3.77 1.97 0.38 assign (resid 83 and name HA ) (resid 84 and name HB* ) 5.34 3.54 0.53 assign (resid 86 and name HN ) (resid 86 and name HG* ) 3.59 1.79 0.36 assign (resid 87 and name HB* ) (resid 91 and name HB* ) 5.34 3.54 0.53 assign (resid 87 and name HB* ) (resid 99 and name HB* ) 4.52 2.72 0.45 assign (resid 91 and name HN ) (resid 91 and name HB* ) 3.34 1.54 0.33 assign (resid 91 and name HB* ) (resid 92 and name HN ) 3.85 2.05 0.38 assign (resid 92 and name HN ) (resid 92 and name HB* ) 3.03 1.23 0.30 assign (resid 92 and name HG* ) (resid 92 and name HE* ) 3.30 1.50 0.33 assign (resid 93 and name HA* ) (resid 94 and name HB* ) 5.15 3.35 0.52 assign (resid 95 and name HN ) (resid 95 and name HB* ) 3.42 1.62 0.34 assign (resid 95 and name HB* ) (resid 96 and name HN ) 4.22 2.42 0.42 assign (resid 95 and name HB* ) (resid 96 and name HA ) 5.11 3.31 0.51 assign (resid 96 and name HA ) (resid 96 and name HG* ) 3.14 1.34 0.31 assign (resid 96 and name HG* ) (resid 97 and name HN ) 3.67 1.87 0.37 assign (resid 99 and name HB* ) (resid 100 and name HN ) 4.05 2.25 0.41 assign (resid 100 and name HG2* ) (resid 100 and name HG1* ) 3.21 1.41 0.32 assign (resid 101 and name HN ) (resid 101 and name HB* ) 3.70 1.90 0.37 assign (resid 101 and name HB* ) (resid 101 and name HD* ) 2.36 0.56 0.24 assign (resid 101 and name HB* ) (resid 101 and name HE* ) 3.46 1.66 0.35 assign (resid 101 and name HB* ) (resid 102 and name HN ) 3.48 1.68 0.35 assign (resid 104 and name HN ) (resid 105 and name HG1* ) 5.25 3.45 0.53 assign (resid 104 and name HB* ) (resid 105 and name HN ) 3.73 1.93 0.37 assign (resid 104 and name HB* ) (resid 106 and name HG1* ) 4.24 2.44 0.42 assign (resid 105 and name HN ) (resid 105 and name HG1* ) 3.51 1.71 0.35 assign (resid 105 and name HG2* ) (resid 105 and name HG1* ) 3.40 1.60 0.34 assign (resid 105 and name HG1* ) (resid 106 and name HN ) 4.79 2.99 0.48 assign (resid 107 and name HN ) (resid 107 and name HB* ) 3.18 1.38 0.32 assign (resid 107 and name HB* ) (resid 108 and name HN ) 3.81 2.01 0.38 assign (resid 109 and name HN ) (resid 109 and name HB* ) 3.21 1.41 0.32 assign (resid 109 and name HB* ) (resid 109 and name HG ) 2.46 0.66 0.25 assign (resid 109 and name HB* ) (resid 109 and name HD1* ) 2.75 0.95 0.28 assign (resid 109 and name HB* ) (resid 109 and name HD2* ) 2.79 0.99 0.28 assign (resid 109 and name HB* ) (resid 110 and name HN ) 3.96 2.16 0.40 assign (resid 110 and name HN ) (resid 110 and name HB* ) 3.10 1.30 0.31 assign (resid 110 and name HN ) (resid 110 and name HG* ) 3.67 1.87 0.37 assign (resid 110 and name HB* ) (resid 110 and name HG* ) 2.34 0.54 0.23 ! manual Ha-Ha constraints for degenerate Ha's in beta strands assign (resid 78 and name HA ) (resid 105 and name HA ) 4.00 2.20 0.40 ! assign (resid 83 and name HA ) (resid 100 and name HA ) 4.00 2.20 0.40 already made by CYANA assign (resid 47 and name HA ) (resid 58 and name HA ) 4.00 2.20 0.40 !
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