NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
25730 |
2kbn   |
16051 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
remarks xplor NOE restraints remarks Ni-Ni+1 assign (resid 4 and name HN )(resid 5 and name HN ) 1.8 0.0 3.01 assign (resid 5 and name HN )(resid 6 and name HN ) 1.8 0.0 3.34 assign (resid 6 and name HN )(resid 7 and name HN ) 1.8 0.0 3.32 assign (resid 7 and name HN )(resid 8 and name HN ) 1.8 0.0 3.28 assign (resid 8 and name HN )(resid 9 and name HN ) 1.8 0.0 2.51 assign (resid 9 and name HN )(resid 10 and name HN ) 1.8 0.0 1.97 assign (resid 11 and name HN )(resid 12 and name HN ) 1.8 0.0 3.37 assign (resid 12 and name HN )(resid 13 and name HN ) 1.8 0.0 3.23 assign (resid 13 and name HN )(resid 14 and name HN ) 1.8 0.0 3.19 assign (resid 15 and name HN )(resid 16 and name HN ) 1.8 0.0 2.31 assign (resid 17 and name HN )(resid 18 and name HN ) 1.8 0.0 3.04 assign (resid 18 and name HN )(resid 19 and name HN ) 1.8 0.0 3.09 assign (resid 19 and name HN )(resid 20 and name HN ) 1.8 0.0 3.27 assign (resid 20 and name HN )(resid 21 and name HN ) 1.8 0.0 3.09 assign (resid 21 and name HN )(resid 22 and name HN ) 1.8 0.0 2.91 assign (resid 25 and name HN )(resid 26 and name HN ) 1.8 0.0 1.49 assign (resid 26 and name HN )(resid 27 and name HN ) 1.8 0.0 3.05 assign (resid 27 and name HN )(resid 28 and name HN ) 1.8 0.0 3.06 assign (resid 29 and name HN )(resid 30 and name HN ) 1.8 0.0 4.1 assign (resid 30 and name HN )(resid 31 and name HN ) 1.8 0.0 4 assign (resid 31 and name HN )(resid 32 and name HN ) 1.8 0.0 2.37 assign (resid 32 and name HN )(resid 33 and name HN ) 1.8 0.0 3.42 assign (resid 34 and name HN )(resid 35 and name HN ) 1.8 0.0 2.41 assign (resid 35 and name HN )(resid 36 and name HN ) 1.8 0.0 3.64 assign (resid 36 and name HN )(resid 37 and name HN ) 1.8 0.0 1.74 assign (resid 37 and name HN )(resid 38 and name HN ) 1.8 0.0 3.03 assign (resid 38 and name HN )(resid 39 and name HN ) 1.8 0.0 3.24 assign (resid 39 and name HN )(resid 40 and name HN ) 1.8 0.0 3.09 assign (resid 40 and name HN )(resid 41 and name HN ) 1.8 0.0 4.15 assign (resid 41 and name HN )(resid 42 and name HN ) 1.8 0.0 3.23 assign (resid 42 and name HN )(resid 43 and name HN ) 1.8 0.0 2.91 assign (resid 43 and name HN )(resid 44 and name HN ) 1.8 0.0 3.52 assign (resid 44 and name HN )(resid 45 and name HN ) 1.8 0.0 2.4 assign (resid 45 and name HN )(resid 46 and name HN ) 1.8 0.0 1.23 assign (resid 46 and name HN )(resid 47 and name HN ) 1.8 0.0 3.16 assign (resid 47 and name HN )(resid 48 and name HN ) 1.8 0.0 3.48 assign (resid 48 and name HN )(resid 49 and name HN ) 1.8 0.0 4.25 assign (resid 49 and name HN )(resid 50 and name HN ) 1.8 0.0 3.48 assign (resid 50 and name HN )(resid 51 and name HN ) 1.8 0.0 3.22 assign (resid 51 and name HN )(resid 52 and name HN ) 1.8 0.0 3.27 assign (resid 52 and name HN )(resid 53 and name HN ) 1.8 0.0 3.47 assign (resid 53 and name HN )(resid 54 and name HN ) 1.8 0.0 3.22 assign (resid 54 and name HN )(resid 55 and name HN ) 1.8 0.0 3.22 assign (resid 55 and name HN )(resid 56 and name HN ) 1.8 0.0 2.37 assign (resid 56 and name HN )(resid 57 and name HN ) 1.8 0.0 2.22 assign (resid 60 and name HN )(resid 61 and name HN ) 1.8 0.0 3.34 assign (resid 61 and name HN )(resid 62 and name HN ) 1.8 0.0 3.41 assign (resid 62 and name HN )(resid 63 and name HN ) 1.8 0.0 3.27 assign (resid 63 and name HN )(resid 64 and name HN ) 1.8 0.0 3.37 assign (resid 64 and name HN )(resid 65 and name HN ) 1.8 0.0 1.78 assign (resid 65 and name HN )(resid 66 and name HN ) 1.8 0.0 3.02 assign (resid 66 and name HN )(resid 67 and name HN ) 1.8 0.0 3.35 assign (resid 67 and name HN )(resid 68 and name HN ) 1.8 0.0 3.17 assign (resid 69 and name HN )(resid 70 and name HN ) 1.8 0.0 3.28 assign (resid 72 and name HN )(resid 73 and name HN ) 1.8 0.0 3.25 assign (resid 73 and name HN )(resid 74 and name HN ) 1.8 0.0 3.44 assign (resid 75 and name HN )(resid 76 and name HN ) 1.8 0.0 3.06 assign (resid 77 and name HN )(resid 78 and name HN ) 1.8 0.0 3.4 assign (resid 78 and name HN )(resid 79 and name HN ) 1.8 0.0 3.18 assign (resid 79 and name HN )(resid 80 and name HN ) 1.8 0.0 1.87 assign (resid 80 and name HN )(resid 81 and name HN ) 1.8 0.0 3.37 assign (resid 81 and name HN )(resid 82 and name HN ) 1.8 0.0 4.09 assign (resid 84 and name HN )(resid 85 and name HN ) 1.8 0.0 3.35 assign (resid 86 and name HN )(resid 87 and name HN ) 1.8 0.0 3.36 assign (resid 88 and name HN )(resid 89 and name HN ) 1.8 0.0 1.38 assign (resid 90 and name HN )(resid 91 and name HN ) 1.8 0.0 3.26 assign (resid 92 and name HN )(resid 93 and name HN ) 1.8 0.0 3.14 assign (resid 93 and name HN )(resid 94 and name HN ) 1.8 0.0 3.34 assign (resid 94 and name HN )(resid 95 and name HN ) 1.8 0.0 3.39 assign (resid 95 and name HN )(resid 96 and name HN ) 1.8 0.0 1.63 assign (resid 98 and name HN )(resid 99 and name HN ) 1.8 0.0 3.18 assign (resid 99 and name HN )(resid 100 and name HN ) 1.8 0.0 3.88 assign (resid 100 and name HN )(resid 101 and name HN ) 1.8 0.0 2.41 assign (resid 101 and name HN )(resid 102 and name HN ) 1.8 0.0 2.52 assign (resid 102 and name HN )(resid 103 and name HN ) 1.8 0.0 2.27 assign (resid 103 and name HN )(resid 104 and name HN ) 1.8 0.0 3.26 remarks Ni-Ni+2 assign (resid 8 and name HN )(resid 10 and name HN ) 1.8 0.0 3.48 assign (resid 9 and name HN )(resid 11 and name HN ) 1.8 0.0 3.36 assign (resid 33 and name HN )(resid 35 and name HN ) 1.8 0.0 3.28 assign (resid 43 and name HN )(resid 45 and name HN ) 1.8 0.0 3.14 assign (resid 44 and name HN )(resid 46 and name HN ) 1.8 0.0 3.79 assign (resid 55 and name HN )(resid 57 and name HN ) 1.8 0.0 3.40 assign (resid 63 and name HN )(resid 65 and name HN ) 1.8 0.0 3.93 remarks aiNi+1 assign (resid 3 and name HA )(resid 4 and name HN ) 1.8 0.0 1.24 assign (resid 4 and name HA )(resid 5 and name HN ) 1.8 0.0 1.31 assign (resid 5 and name HA )(resid 6 and name HN ) 1.8 0.0 1.43 assign (resid 6 and name HA )(resid 7 and name HN ) 1.8 0.0 1.35 assign (resid 7 and name HA )(resid 8 and name HN ) 1.8 0.0 1.97 assign (resid 11 and name HA )(resid 12 and name HN ) 1.8 0.0 1.72 assign (resid 13 and name HA )(resid 14 and name HN ) 1.8 0.0 1.35 assign (resid 14 and name HA )(resid 15 and name HN ) 1.8 0.0 1.51 assign (resid 16 and name HA )(resid 17 and name HN ) 1.8 0.0 1.93 assign (resid 17 and name HA )(resid 18 and name HN ) 1.8 0.0 1.4 assign (resid 18 and name HA )(resid 19 and name HN ) 1.8 0.0 1.28 assign (resid 19 and name HA )(resid 20 and name HN ) 1.8 0.0 1.38 assign (resid 20 and name HA )(resid 21 and name HN ) 1.8 0.0 1.28 assign (resid 21 and name HA )(resid 22 and name HN ) 1.8 0.0 1.16 assign (resid 22 and name HA )(resid 23 and name HN ) 1.8 0.0 1.42 assign (resid 23 and name HA )(resid 24 and name HN ) 1.8 0.0 1.73 assign (resid 24 and name HA )(resid 25 and name HN ) 1.8 0.0 1.53 assign (resid 26 and name HA )(resid 27 and name HN ) 1.8 0.0 1.16 assign (resid 27 and name HA )(resid 28 and name HN ) 1.8 0.0 1.83 assign (resid 28 and name HA )(resid 29 and name HN ) 1.8 0.0 1.38 assign (resid 29 and name HA )(resid 30 and name HN ) 1.8 0.0 1.24 assign (resid 32 and name HA )(resid 33 and name HN ) 1.8 0.0 1.73 assign (resid 35 and name HA )(resid 36 and name HN ) 1.8 0.0 1.63 assign (resid 37 and name HA )(resid 38 and name HN ) 1.8 0.0 1.24 assign (resid 38 and name HA )(resid 39 and name HN ) 1.8 0.0 1.26 assign (resid 40 and name HA )(resid 41 and name HN ) 1.8 0.0 1.65 assign (resid 41 and name HA )(resid 42 and name HN ) 1.8 0.0 1.58 assign (resid 42 and name HA1 )(resid 43 and name HN ) 1.8 0.0 1.9 assign (resid 42 and name HA2 )(resid 43 and name HN ) 1.8 0.0 1.94 assign (resid 46 and name HA* )(resid 47 and name HN ) 1.8 0.0 1.3 assign (resid 47 and name HA )(resid 48 and name HN ) 1.8 0.0 1.7 assign (resid 48 and name HA )(resid 49 and name HN ) 1.8 0.0 1.69 assign (resid 49 and name HA )(resid 50 and name HN ) 1.8 0.0 1.46 assign (resid 50 and name HA )(resid 51 and name HN ) 1.8 0.0 1.62 assign (resid 51 and name HA )(resid 52 and name HN ) 1.8 0.0 1.52 assign (resid 52 and name HA )(resid 53 and name HN ) 1.8 0.0 1.62 assign (resid 53 and name HA )(resid 54 and name HN ) 1.8 0.0 1.95 assign (resid 54 and name HA )(resid 55 and name HN ) 1.8 0.0 1.95 assign (resid 57 and name HA )(resid 58 and name HN ) 1.8 0.0 1.92 assign (resid 59 and name HA )(resid 60 and name HN ) 1.8 0.0 0.98 assign (resid 60 and name HA )(resid 61 and name HN ) 1.8 0.0 1.46 assign (resid 61 and name HA )(resid 62 and name HN ) 1.8 0.0 1.54 assign (resid 62 and name HA )(resid 63 and name HN ) 1.8 0.0 1.17 assign (resid 63 and name HA )(resid 64 and name HN ) 1.8 0.0 1.32 assign (resid 65 and name HA )(resid 66 and name HN ) 1.8 0.0 1.42 assign (resid 66 and name HA )(resid 67 and name HN ) 1.8 0.0 1.49 assign (resid 67 and name HA )(resid 68 and name HN ) 1.8 0.0 1.53 assign (resid 68 and name HA )(resid 69 and name HN ) 1.8 0.0 1.45 assign (resid 69 and name HA )(resid 70 and name HN ) 1.8 0.0 1.33 assign (resid 70 and name HA )(resid 71 and name HN ) 1.8 0.0 1.61 assign (resid 71 and name HA )(resid 72 and name HN ) 1.8 0.0 1.61 assign (resid 72 and name HA )(resid 73 and name HN ) 1.8 0.0 1.48 assign (resid 73 and name HA )(resid 74 and name HN ) 1.8 0.0 1.64 assign (resid 74 and name HA )(resid 75 and name HN ) 1.8 0.0 1.56 assign (resid 75 and name HA1 )(resid 76 and name HN ) 1.8 0.0 1.65 assign (resid 75 and name HA2 )(resid 76 and name HN ) 1.8 0.0 1.62 assign (resid 76 and name HA )(resid 77 and name HN ) 1.8 0.0 1.53 assign (resid 77 and name HA )(resid 78 and name HN ) 1.8 0.0 1.64 assign (resid 80 and name HA )(resid 81 and name HN ) 1.8 0.0 1.8 assign (resid 81 and name HA )(resid 82 and name HN ) 1.8 0.0 1.76 assign (resid 82 and name HA )(resid 83 and name HN ) 1.8 0.0 1.54 assign (resid 83 and name HA )(resid 84 and name HN ) 1.8 0.0 1.52 assign (resid 84 and name HA )(resid 85 and name HN ) 1.8 0.0 1.41 assign (resid 85 and name HA )(resid 86 and name HN ) 1.8 0.0 1.46 assign (resid 86 and name HA )(resid 87 and name HN ) 1.8 0.0 1.94 assign (resid 89 and name HA )(resid 90 and name HN ) 1.8 0.0 1.49 assign (resid 90 and name HA )(resid 91 and name HN ) 1.8 0.0 1.18 assign (resid 91 and name HA )(resid 92 and name HN ) 1.8 0.0 1.27 assign (resid 92 and name HA )(resid 93 and name HN ) 1.8 0.0 1.07 assign (resid 93 and name HA )(resid 94 and name HN ) 1.8 0.0 1.85 assign (resid 94 and name HA )(resid 95 and name HN ) 1.8 0.0 1.46 assign (resid 95 and name HA )(resid 96 and name HN ) 1.8 0.0 2.08 assign (resid 97 and name HA )(resid 98 and name HN ) 1.8 0.0 1.32 assign (resid 98 and name HA )(resid 99 and name HN ) 1.8 0.0 1.24 assign (resid 100 and name HA )(resid 101 and name HN ) 1.8 0.0 2.07 remarks aiNi-1 remarks ai-di+1, Ni-di+1, Ni-di-1 (proline) - fix later remarks aiNi+2 assign (resid 7 and name HA )(resid 9 and name HN ) 1.8 0.0 3.11 assign (resid 8 and name HA )(resid 10 and name HN ) 1.8 0.0 2.99 assign (resid 9 and name HA )(resid 11 and name HN ) 1.8 0.0 3.01 assign (resid 11 and name HA )(resid 13 and name HN ) 1.8 0.0 2.67 assign (resid 24 and name HA )(resid 26 and name HN ) 1.8 0.0 2.95 assign (resid 35 and name HA )(resid 37 and name HN ) 1.8 0.0 3.01 assign (resid 54 and name HA )(resid 56 and name HN ) 1.8 0.0 3.23 assign (resid 63 and name HA )(resid 65 and name HN ) 1.8 0.0 2.27 assign (resid 94 and name HA )(resid 96 and name HN ) 1.8 0.0 2.81 assign (resid 99 and name HA )(resid 101 and name HN ) 1.8 0.0 3.02 remarks aiNi+3 assign (resid 8 and name HA )(resid 11 and name HN ) 1.8 0.0 2.78 assign (resid 54 and name HA )(resid 57 and name HN ) 1.8 0.0 2.78 remarks aiNi+4 assign (resid 54 and name HA )(resid 58 and name HN ) 1.8 0.0 3.28 remarks biNi+1 assign (resid 4 and name HB* )(resid 5 and name HN ) 1.8 0.0 2.66 assign (resid 5 and name HB* )(resid 6 and name HN ) 1.8 0.0 2.27 assign (resid 6 and name HB )(resid 7 and name HN ) 1.8 0.0 3.03 assign (resid 7 and name HB1 )(resid 8 and name HN ) 1.8 0.0 2.96 assign (resid 7 and name HB2 )(resid 8 and name HN ) 1.8 0.0 2.96 assign (resid 8 and name HB )(resid 9 and name HN ) 1.8 0.0 2.4 assign (resid 9 and name HB )(resid 10 and name HN ) 1.8 0.0 3.37 assign (resid 10 and name HB1 )(resid 11 and name HN ) 1.8 0.0 3.04 assign (resid 10 and name HB2 )(resid 11 and name HN ) 1.8 0.0 3.04 assign (resid 12 and name HB )(resid 13 and name HN ) 1.8 0.0 2.85 assign (resid 13 and name HB1 )(resid 14 and name HN ) 1.8 0.0 3.07 assign (resid 13 and name HB2 )(resid 14 and name HN ) 1.8 0.0 3.07 assign (resid 14 and name HB2 )(resid 15 and name HN ) 1.8 0.0 2.79 assign (resid 16 and name HB1 )(resid 17 and name HN ) 1.8 0.0 3.8 assign (resid 16 and name HB2 )(resid 17 and name HN ) 1.8 0.0 3.8 assign (resid 17 and name HB1 )(resid 18 and name HN ) 1.8 0.0 3.55 assign (resid 17 and name HB2 )(resid 18 and name HN ) 1.8 0.0 3.55 assign (resid 18 and name HB* )(resid 19 and name HN ) 1.8 0.0 1.51 assign (resid 19 and name HB1 )(resid 20 and name HN ) 1.8 0.0 2.96 assign (resid 19 and name HB2 )(resid 20 and name HN ) 1.8 0.0 2.96 assign (resid 20 and name HB1 )(resid 21 and name HN ) 1.8 0.0 2.89 assign (resid 20 and name HB2 )(resid 21 and name HN ) 1.8 0.0 3.07 assign (resid 22 and name HB* )(resid 23 and name HN ) 1.8 0.0 1.75 assign (resid 25 and name HB )(resid 26 and name HN ) 1.8 0.0 1.99 assign (resid 26 and name HB* )(resid 27 and name HN ) 1.8 0.0 2.31 assign (resid 27 and name HB1 )(resid 28 and name HN ) 1.8 0.0 3.64 assign (resid 27 and name HB2 )(resid 28 and name HN ) 1.8 0.0 2.92 assign (resid 28 and name HB1 )(resid 29 and name HN ) 1.8 0.0 2.53 assign (resid 28 and name HB2 )(resid 29 and name HN ) 1.8 0.0 3.12 assign (resid 29 and name HB* )(resid 30 and name HN ) 1.8 0.0 2.0 assign (resid 31 and name HB )(resid 32 and name HN ) 1.8 0.0 2.88 assign (resid 34 and name HB1 )(resid 35 and name HN ) 1.8 0.0 3.33 assign (resid 34 and name HB2 )(resid 35 and name HN ) 1.8 0.0 3.33 assign (resid 36 and name HB* )(resid 37 and name HN ) 1.8 0.0 1.64 assign (resid 37 and name HB* )(resid 38 and name HN ) 1.8 0.0 2.24 assign (resid 38 and name HB )(resid 39 and name HN ) 1.8 0.0 2.62 assign (resid 40 and name HB1 )(resid 41 and name HN ) 1.8 0.0 2.84 assign (resid 40 and name HB2 )(resid 41 and name HN ) 1.8 0.0 2.45 assign (resid 41 and name HB1 )(resid 42 and name HN ) 1.8 0.0 2.31 assign (resid 41 and name HB2 )(resid 42 and name HN ) 1.8 0.0 2.56 assign (resid 43 and name HB1 )(resid 44 and name HN ) 1.8 0.0 2.61 assign (resid 43 and name HB2 )(resid 44 and name HN ) 1.8 0.0 2.61 assign (resid 44 and name HB1 )(resid 45 and name HN ) 1.8 0.0 3.41 assign (resid 44 and name HB2 )(resid 45 and name HN ) 1.8 0.0 3.41 assign (resid 45 and name HB )(resid 46 and name HN ) 1.8 0.0 2.69 assign (resid 47 and name HB )(resid 48 and name HN ) 1.8 0.0 2.66 assign (resid 48 and name HB )(resid 49 and name HN ) 1.8 0.0 3.32 assign (resid 50 and name HB1 )(resid 51 and name HN ) 1.8 0.0 2.52 assign (resid 50 and name HB2 )(resid 51 and name HN ) 1.8 0.0 2.46 assign (resid 51 and name HB )(resid 52 and name HN ) 1.8 0.0 2.95 assign (resid 53 and name HB1 )(resid 54 and name HN ) 1.8 0.0 2.74 assign (resid 53 and name HB2 )(resid 54 and name HN ) 1.8 0.0 3.01 assign (resid 55 and name HB1 )(resid 56 and name HN ) 1.8 0.0 3.4 assign (resid 55 and name HB2 )(resid 56 and name HN ) 1.8 0.0 3.4 assign (resid 56 and name HB* )(resid 57 and name HN ) 1.8 0.0 1.84 assign (resid 57 and name HB* )(resid 58 and name HN ) 1.8 0.0 2.3 assign (resid 59 and name HB* )(resid 60 and name HN ) 1.8 0.0 2.02 assign (resid 60 and name HB1 )(resid 61 and name HN ) 1.8 0.0 2.14 assign (resid 60 and name HB2 )(resid 61 and name HN ) 1.8 0.0 2.8 assign (resid 61 and name HB1 )(resid 62 and name HN ) 1.8 0.0 2.24 assign (resid 61 and name HB2 )(resid 62 and name HN ) 1.8 0.0 2.89 assign (resid 62 and name HB1 )(resid 63 and name HN ) 1.8 0.0 3.26 assign (resid 62 and name HB2 )(resid 63 and name HN ) 1.8 0.0 3.26 assign (resid 63 and name HB* )(resid 64 and name HN ) 1.8 0.0 2.75 assign (resid 65 and name HB1 )(resid 66 and name HN ) 1.8 0.0 1.93 assign (resid 66 and name HB* )(resid 67 and name HN ) 1.8 0.0 2.3 assign (resid 67 and name HB1 )(resid 68 and name HN ) 1.8 0.0 2.48 assign (resid 67 and name HB2 )(resid 68 and name HN ) 1.8 0.0 2.78 assign (resid 68 and name HB1 )(resid 69 and name HN ) 1.8 0.0 3.83 assign (resid 68 and name HB2 )(resid 69 and name HN ) 1.8 0.0 3.57 assign (resid 69 and name HB1 )(resid 70 and name HN ) 1.8 0.0 3.01 assign (resid 70 and name HB* )(resid 71 and name HN ) 1.8 0.0 2.39 assign (resid 71 and name HB1 )(resid 72 and name HN ) 1.8 0.0 3.96 assign (resid 71 and name HB2 )(resid 72 and name HN ) 1.8 0.0 3.96 assign (resid 72 and name HB )(resid 73 and name HN ) 1.8 0.0 1.61 assign (resid 74 and name HB )(resid 75 and name HN ) 1.8 0.0 3.52 assign (resid 76 and name HB1 )(resid 77 and name HN ) 1.8 0.0 3.32 assign (resid 76 and name HB2 )(resid 77 and name HN ) 1.8 0.0 3.32 assign (resid 78 and name HB1 )(resid 79 and name HN ) 1.8 0.0 2.85 assign (resid 78 and name HB2 )(resid 79 and name HN ) 1.8 0.0 2.85 assign (resid 80 and name HB* )(resid 81 and name HN ) 1.8 0.0 1.89 assign (resid 81 and name HB1 )(resid 82 and name HN ) 1.8 0.0 2.61 assign (resid 81 and name HB2 )(resid 82 and name HN ) 1.8 0.0 2.35 assign (resid 82 and name HB* )(resid 83 and name HN ) 1.8 0.0 2.0 assign (resid 83 and name HB )(resid 84 and name HN ) 1.8 0.0 2.61 assign (resid 84 and name HB1 )(resid 85 and name HN ) 1.8 0.0 2.31 assign (resid 84 and name HB2 )(resid 85 and name HN ) 1.8 0.0 2.61 assign (resid 85 and name HB )(resid 86 and name HN ) 1.8 0.0 3.23 assign (resid 86 and name HB1 )(resid 87 and name HN ) 1.8 0.0 1.85 assign (resid 86 and name HB2 )(resid 87 and name HN ) 1.8 0.0 2.66 assign (resid 87 and name HB* )(resid 88 and name HN ) 1.8 0.0 2.81 assign (resid 88 and name HB1 )(resid 89 and name HN ) 1.8 0.0 2.62 assign (resid 88 and name HB2 )(resid 89 and name HN ) 1.8 0.0 3.78 assign (resid 89 and name HB* )(resid 90 and name HN ) 1.8 0.0 2.08 assign (resid 90 and name HB* )(resid 91 and name HN ) 1.8 0.0 2.2 assign (resid 91 and name HB )(resid 92 and name HN ) 1.8 0.0 3.26 assign (resid 92 and name HB1 )(resid 93 and name HN ) 1.8 0.0 3.19 assign (resid 92 and name HB2 )(resid 93 and name HN ) 1.8 0.0 2.70 assign (resid 94 and name HB1 )(resid 95 and name HN ) 1.8 0.0 2.57 assign (resid 95 and name HB* )(resid 96 and name HN ) 1.8 0.0 2.08 assign (resid 97 and name HB1 )(resid 98 and name HN ) 1.8 0.0 2.28 assign (resid 97 and name HB2 )(resid 98 and name HN ) 1.8 0.0 2.01 assign (resid 98 and name HB )(resid 99 and name HN ) 1.8 0.0 2.69 assign (resid 99 and name HB* )(resid 100 and name HN ) 1.8 0.0 2.64 assign (resid 100 and name HB )(resid 101 and name HN ) 1.8 0.0 3.09 assign (resid 102 and name HB* )(resid 103 and name HN ) 1.8 0.0 2.66 assign (resid 103 and name HB* )(resid 104 and name HN ) 1.8 0.0 2.79 assign (resid 104 and name HB* )(resid 105 and name HN ) 1.8 0.0 2.59 remarks (gdez)i-Ni+1 assign (resid 3 and name HG* )(resid 4 and name HN ) 1.8 0.0 3.27 assign (resid 4 and name HG* )(resid 5 and name HN ) 1.8 0.0 3.24 assign (resid 5 and name HD1* )(resid 6 and name HN ) 1.8 0.0 3.7 assign (resid 5 and name HD2* )(resid 6 and name HN ) 1.8 0.0 2.26 assign (resid 6 and name HG2* )(resid 7 and name HN ) 1.8 0.0 1.63 assign (resid 8 and name HG2* )(resid 9 and name HN ) 1.8 0.0 2.52 assign (resid 9 and name HG1* )(resid 10 and name HN ) 1.8 0.0 1.61 assign (resid 9 and name HG2* )(resid 10 and name HN ) 1.8 0.0 3.32 assign (resid 11 and name HG2* )(resid 12 and name HN ) 1.8 0.0 2.66 assign (resid 12 and name HG1* )(resid 13 and name HN ) 1.8 0.0 2.66 assign (resid 12 and name HG2* )(resid 13 and name HN ) 1.8 0.0 1.57 assign (resid 13 and name HG* )(resid 14 and name HN ) 1.8 0.0 3.74 assign (resid 16 and name HG1 )(resid 17 and name HN ) 1.8 0.0 3.23 assign (resid 17 and name HE3 )(resid 18 and name HN ) 1.8 0.0 3.93 assign (resid 20 and name HD* )(resid 21 and name HN ) 1.8 0.0 2.68 assign (resid 23 and name HG* )(resid 24 and name HN ) 1.8 0.0 2.45 assign (resid 24 and name HG1* )(resid 25 and name HN ) 1.8 0.0 2.31 assign (resid 25 and name HG12 )(resid 26 and name HN ) 1.8 0.0 3.20 assign (resid 25 and name HG2* )(resid 26 and name HN ) 1.8 0.0 2.18 assign (resid 26 and name HG* )(resid 27 and name HN ) 1.8 0.0 2.68 assign (resid 27 and name HD2* )(resid 28 and name HN ) 1.8 0.0 3.3 assign (resid 29 and name HG* )(resid 30 and name HN ) 1.8 0.0 2.70 assign (resid 31 and name HG2* )(resid 32 and name HN ) 1.8 0.0 3.24 assign (resid 35 and name HG1* )(resid 36 and name HN ) 1.8 0.0 3.27 assign (resid 35 and name HG2* )(resid 36 and name HN ) 1.8 0.0 2.02 assign (resid 37 and name HE2* )(resid 38 and name HN ) 1.8 0.0 4.07 assign (resid 37 and name HG* )(resid 38 and name HN ) 1.8 0.0 2.18 assign (resid 38 and name HG* )(resid 39 and name HN ) 1.8 0.0 2.06 assign (resid 40 and name HD* )(resid 41 and name HN ) 1.8 0.0 2.58 assign (resid 41 and name HD1* )(resid 42 and name HN ) 1.8 0.0 3.7 assign (resid 41 and name HD2* )(resid 42 and name HN ) 1.8 0.0 2.27 assign (resid 44 and name HG* )(resid 45 and name HN ) 1.8 0.0 3.12 assign (resid 45 and name HG2* )(resid 46 and name HN ) 1.8 0.0 2.52 assign (resid 47 and name HG1* )(resid 48 and name HN ) 1.8 0.0 3.36 assign (resid 47 and name HG2* )(resid 48 and name HN ) 1.8 0.0 2.57 assign (resid 48 and name HD1* )(resid 49 and name HN ) 1.8 0.0 2.70 assign (resid 48 and name HG11 )(resid 49 and name HN ) 1.8 0.0 2.20 assign (resid 48 and name HG12 )(resid 49 and name HN ) 1.8 0.0 2.26 assign (resid 48 and name HG2* )(resid 49 and name HN ) 1.8 0.0 2.7 assign (resid 49 and name HD* )(resid 50 and name HN ) 1.8 0.0 3.76 assign (resid 50 and name HD* )(resid 51 and name HN ) 1.8 0.0 2.7 assign (resid 51 and name HG2* )(resid 52 and name HN ) 1.8 0.0 2.18 assign (resid 52 and name HG2* )(resid 53 and name HN ) 1.8 0.0 2.23 assign (resid 60 and name HD1* )(resid 61 and name HN ) 1.8 0.0 3.25 assign (resid 60 and name HD2* )(resid 61 and name HN ) 1.8 0.0 2.03 assign (resid 60 and name HG )(resid 61 and name HN ) 1.8 0.0 4 assign (resid 61 and name HD1* )(resid 62 and name HN ) 1.8 0.0 3.18 assign (resid 61 and name HD2* )(resid 62 and name HN ) 1.8 0.0 3.05 assign (resid 61 and name HG )(resid 62 and name HN ) 1.8 0.0 3.15 assign (resid 62 and name HG* )(resid 63 and name HN ) 1.8 0.0 2.8 assign (resid 63 and name HE21 )(resid 64 and name HN ) 1.8 0.0 4.05 assign (resid 63 and name HG1 )(resid 64 and name HN ) 1.8 0.0 3.09 assign (resid 63 and name HG2 )(resid 64 and name HN ) 1.8 0.0 2.29 assign (resid 65 and name HG* )(resid 66 and name HN ) 1.8 0.0 4.02 assign (resid 67 and name HD* )(resid 68 and name HN ) 1.8 0.0 2.77 assign (resid 68 and name HD1* )(resid 69 and name HN ) 1.8 0.0 1.89 assign (resid 68 and name HD2* )(resid 69 and name HN ) 1.8 0.0 3.71 assign (resid 69 and name HD2* )(resid 70 and name HN ) 1.8 0.0 3.23 assign (resid 70 and name HG1 )(resid 71 and name HN ) 1.8 0.0 4.09 assign (resid 70 and name HG2 )(resid 71 and name HN ) 1.8 0.0 3.26 assign (resid 72 and name HG1* )(resid 73 and name HN ) 1.8 0.0 2.78 assign (resid 72 and name HG2* )(resid 73 and name HN ) 1.8 0.0 2.93 assign (resid 73 and name HG1* )(resid 74 and name HN ) 1.8 0.0 2.7 assign (resid 73 and name HG2* )(resid 74 and name HN ) 1.8 0.0 2.22 assign (resid 74 and name HG1* )(resid 75 and name HN ) 1.8 0.0 1.86 assign (resid 76 and name HG* )(resid 77 and name HN ) 1.8 0.0 2.49 assign (resid 77 and name HD* )(resid 78 and name HN ) 1.8 0.0 3.24 assign (resid 78 and name HD21 )(resid 79 and name HN ) 1.8 0.0 4.25 assign (resid 78 and name HD22 )(resid 79 and name HN ) 1.8 0.0 4.25 assign (resid 78 and name HD2* )(resid 79 and name HN ) 1.8 0.0 3.41 assign (resid 80 and name HD* )(resid 81 and name HN ) 1.8 0.0 3.13 assign (resid 80 and name HG* )(resid 81 and name HN ) 1.8 0.0 2.48 assign (resid 81 and name HD* )(resid 82 and name HN ) 1.8 0.0 2.78 assign (resid 82 and name HG* )(resid 83 and name HN ) 1.8 0.0 3.14 assign (resid 83 and name HG1* )(resid 84 and name HN ) 1.8 0.0 2.74 assign (resid 83 and name HG2* )(resid 84 and name HN ) 1.8 0.0 3.44 assign (resid 85 and name HG1* )(resid 86 and name HN ) 1.8 0.0 1.99 assign (resid 85 and name HG2* )(resid 86 and name HN ) 1.8 0.0 2.67 assign (resid 86 and name HD21 )(resid 87 and name HN ) 1.8 0.0 4.25 assign (resid 87 and name HG* )(resid 88 and name HN ) 1.8 0.0 2.4 assign (resid 88 and name HD21 )(resid 89 and name HN ) 1.8 0.0 4.25 assign (resid 91 and name HG12 )(resid 92 and name HN ) 1.8 0.0 3.72 assign (resid 91 and name HG2* )(resid 92 and name HN ) 1.8 0.0 1.93 assign (resid 92 and name HG* )(resid 93 and name HN ) 1.8 0.0 3.09 assign (resid 93 and name HD* )(resid 94 and name HN ) 1.8 0.0 3.29 assign (resid 93 and name HG1 )(resid 94 and name HN ) 1.8 0.0 3.02 assign (resid 93 and name HG2 )(resid 94 and name HN ) 1.8 0.0 3.02 assign (resid 93 and name HG* )(resid 94 and name HN ) 1.8 0.0 2.27 assign (resid 94 and name HD* )(resid 95 and name HN ) 1.8 0.0 3.06 assign (resid 97 and name HG* )(resid 98 and name HN ) 1.8 0.0 2.9 assign (resid 98 and name HD1* )(resid 99 and name HN ) 1.8 0.0 3.45 assign (resid 98 and name HG11 )(resid 99 and name HN ) 1.8 0.0 3.85 assign (resid 98 and name HG12 )(resid 99 and name HN ) 1.8 0.0 3.85 assign (resid 98 and name HG1* )(resid 99 and name HN ) 1.8 0.0 3.09 assign (resid 98 and name HG2* )(resid 99 and name HN ) 1.8 0.0 1.99 assign (resid 99 and name HG* )(resid 100 and name HN ) 1.8 0.0 3.25 assign (resid 100 and name HG1* )(resid 101 and name HN ) 1.8 0.0 3.84 assign (resid 100 and name HG2* )(resid 101 and name HN ) 1.8 0.0 2.87 remarks (bgdez)iNi-1 remarks biNi+2 assign (resid 8 and name HB )(resid 10 and name HN ) 1.8 0.0 4.25 assign (resid 30 and name HB* )(resid 32 and name HN ) 1.8 0.0 2.82 assign (resid 43 and name HB1 )(resid 45 and name HN ) 1.8 0.0 3.51 assign (resid 43 and name HB2 )(resid 45 and name HN ) 1.8 0.0 3.51 assign (resid 54 and name HB* )(resid 56 and name HN ) 1.8 0.0 3.35 assign (resid 78 and name HB* )(resid 80 and name HN ) 1.8 0.0 4 assign (resid 94 and name HB1 )(resid 96 and name HN ) 1.8 0.0 1.61 assign (resid 94 and name HB2 )(resid 96 and name HN ) 1.8 0.0 2.71 assign (resid 99 and name HB* )(resid 101 and name HN ) 1.8 0.0 3.39 remarks (gdez)i-Ni+2 assign (resid 3 and name HG* )(resid 5 and name HN ) 1.8 0.0 3.41 assign (resid 8 and name HG2* )(resid 10 and name HN ) 1.8 0.0 3.66 assign (resid 9 and name HG2* )(resid 11 and name HN ) 1.8 0.0 4.25 assign (resid 11 and name HG2* )(resid 13 and name HN ) 1.8 0.0 2.42 assign (resid 24 and name HG1* )(resid 26 and name HN ) 1.8 0.0 2.31 assign (resid 30 and name HD21 )(resid 32 and name HN ) 1.8 0.0 2.6 assign (resid 30 and name HD22 )(resid 32 and name HN ) 1.8 0.0 2.36 assign (resid 35 and name HG2* )(resid 37 and name HN ) 1.8 0.0 1.75 assign (resid 50 and name HD* )(resid 52 and name HN ) 1.8 0.0 3.58 assign (resid 50 and name HE* )(resid 52 and name HN ) 1.8 0.0 4.25 assign (resid 68 and name HD1* )(resid 70 and name HN ) 1.8 0.0 3.00 assign (resid 73 and name HG1* )(resid 75 and name HN ) 1.8 0.0 4.25 assign (resid 91 and name HG2* )(resid 93 and name HN ) 1.8 0.0 3.15 assign (resid 94 and name HD* )(resid 96 and name HN ) 1.8 0.0 2.56 assign (resid 99 and name HG* )(resid 101 and name HN ) 1.8 0.0 3.3 remarks biNi+3 assign (resid 32 and name HB* )(resid 35 and name HN ) 1.8 0.0 3.48 assign (resid 77 and name HB* )(resid 80 and name HN ) 1.8 0.0 2.86 remarks (gdez)i-Ni+3 assign (resid 7 and name HG* )(resid 10 and name HN ) 1.8 0.0 4.13 assign (resid 35 and name HG2* )(resid 38 and name HN ) 1.8 0.0 2.96 assign (resid 86 and name HD21 )(resid 89 and name HN ) 1.8 0.0 4.25 remarks biNi+4 remarks (gdez)i-Ni+4 assign (resid 6 and name HG2* )(resid 10 and name HN ) 1.8 0.0 3.2 assign (resid 85 and name HG1* )(resid 89 and name HN ) 1.8 0.0 3.2 remarks ai-bi+3 assign (resid 8 and name HA )(resid 11 and name HB ) 1.8 0.0 3.19 remarks ai-(gdez)i+3 assign (resid 8 and name HA )(resid 11 and name HD1* ) 1.8 0.0 1.79 assign (resid 8 and name HA )(resid 11 and name HG11 ) 1.8 0.0 2.74 assign (resid 8 and name HA )(resid 11 and name HG12 ) 1.8 0.0 3.16 assign (resid 69 and name HA )(resid 72 and name HG1* ) 1.8 0.0 2.91 assign (resid 99 and name HA )(resid 102 and name HD1* ) 1.8 0.0 4.25 remarks med and long range Ni-Ni+n (n>2) assign (resid 6 and name HN )(resid 19 and name HN ) 1.8 0.0 3.48 assign (resid 6 and name HN )(resid 21 and name HN ) 1.8 0.0 3.64 assign (resid 7 and name HN )(resid 10 and name HN ) 1.8 0.0 3.05 assign (resid 8 and name HN )(resid 45 and name HN ) 1.8 0.0 4.02 assign (resid 9 and name HN )(resid 45 and name HN ) 1.8 0.0 4.25 assign (resid 15 and name HN )(resid 74 and name HN ) 1.8 0.0 2.97 assign (resid 16 and name HN )(resid 74 and name HN ) 1.8 0.0 2.91 assign (resid 18 and name HN )(resid 72 and name HN ) 1.8 0.0 2.08 assign (resid 19 and name HN )(resid 71 and name HN ) 1.8 0.0 3.98 assign (resid 20 and name HN )(resid 69 and name HN ) 1.8 0.0 2.36 assign (resid 20 and name HN )(resid 71 and name HN ) 1.8 0.0 3.56 assign (resid 24 and name HN )(resid 64 and name HN ) 1.8 0.0 3.0 assign (resid 24 and name HN )(resid 65 and name HN ) 1.8 0.0 3.00 assign (resid 25 and name HN )(resid 41 and name HN ) 1.8 0.0 3.87 assign (resid 25 and name HN )(resid 42 and name HN ) 1.8 0.0 2.61 assign (resid 28 and name HN )(resid 38 and name HN ) 1.8 0.0 3 assign (resid 28 and name HN )(resid 39 and name HN ) 1.8 0.0 4.25 assign (resid 37 and name HN )(resid 52 and name HN ) 1.8 0.0 2.37 assign (resid 39 and name HN )(resid 50 and name HN ) 1.8 0.0 2.28 assign (resid 40 and name HN )(resid 50 and name HN ) 1.8 0.0 3.81 assign (resid 41 and name HN )(resid 49 and name HN ) 1.8 0.0 4.25 assign (resid 41 and name HN )(resid 50 and name HN ) 1.8 0.0 3.42 assign (resid 43 and name HN )(resid 46 and name HN ) 1.8 0.0 1.87 assign (resid 51 and name HN )(resid 85 and name HN ) 1.8 0.0 3.06 assign (resid 53 and name HN )(resid 85 and name HN ) 1.8 0.0 3.77 assign (resid 62 and name HN )(resid 65 and name HN ) 1.8 0.0 4.25 assign (resid 66 and name HN )(resid 94 and name HN ) 1.8 0.0 3.25 assign (resid 67 and name HN )(resid 94 and name HN ) 1.8 0.0 3.85 assign (resid 68 and name HN )(resid 92 and name HN ) 1.8 0.0 2.24 assign (resid 68 and name HN )(resid 93 and name HN ) 1.8 0.0 3.99 assign (resid 68 and name HN )(resid 94 and name HN ) 1.8 0.0 3.85 assign (resid 73 and name HN )(resid 84 and name HN ) 1.8 0.0 2.95 assign (resid 73 and name HN )(resid 86 and name HN ) 1.8 0.0 4.1 assign (resid 75 and name HN )(resid 82 and name HN ) 1.8 0.0 2.2 assign (resid 77 and name HN )(resid 82 and name HN ) 1.8 0.0 3.18 assign (resid 86 and name HN )(resid 89 and name HN ) 1.8 0.0 2.48 remarks long range a-N, aiNi+n (n>4) assign (resid 17 and name HA )(resid 72 and name HN ) 1.8 0.0 3.38 assign (resid 17 and name HA )(resid 73 and name HN ) 1.8 0.0 3.63 assign (resid 19 and name HA )(resid 71 and name HN ) 1.8 0.0 2.35 assign (resid 19 and name HA )(resid 72 and name HN ) 1.8 0.0 3.08 assign (resid 21 and name HA )(resid 67 and name HN ) 1.8 0.0 3.15 assign (resid 21 and name HA )(resid 69 and name HN ) 1.8 0.0 2.55 assign (resid 22 and name HA )(resid 44 and name HN ) 1.8 0.0 4.25 assign (resid 23 and name HA )(resid 66 and name HN ) 1.8 0.0 2.95 assign (resid 34 and name HA )(resid 54 and name HN ) 1.8 0.0 3.15 assign (resid 38 and name HA )(resid 50 and name HN ) 1.8 0.0 4.23 assign (resid 38 and name HA )(resid 52 and name HN ) 1.8 0.0 3.58 assign (resid 40 and name HA )(resid 49 and name HN ) 1.8 0.0 3.59 assign (resid 50 and name HA )(resid 83 and name HN ) 1.8 0.0 2.97 assign (resid 52 and name HA )(resid 85 and name HN ) 1.8 0.0 2.35 assign (resid 67 and name HA )(resid 94 and name HN ) 1.8 0.0 2.02 assign (resid 72 and name HA )(resid 86 and name HN ) 1.8 0.0 3.56 assign (resid 74 and name HA )(resid 82 and name HN ) 1.8 0.0 3.99 assign (resid 74 and name HA )(resid 83 and name HN ) 1.8 0.0 4.06 assign (resid 74 and name HA )(resid 84 and name HN ) 1.8 0.0 2.62 assign (resid 76 and name HA )(resid 82 and name HN ) 1.8 0.0 3.34 remarks med and long range a-N, aiNi-n (n>1) assign (resid 6 and name HN )(resid 20 and name HA ) 1.8 0.0 3.20 assign (resid 15 and name HN )(resid 75 and name HA1 ) 1.8 0.0 3.63 assign (resid 16 and name HN )(resid 73 and name HA ) 1.8 0.0 4.25 assign (resid 18 and name HN )(resid 71 and name HA ) 1.8 0.0 3.13 assign (resid 18 and name HN )(resid 73 and name HA ) 1.8 0.0 3.27 assign (resid 20 and name HN )(resid 70 and name HA ) 1.8 0.0 3.24 assign (resid 23 and name HN )(resid 42 and name HA1 ) 1.8 0.0 3.44 assign (resid 23 and name HN )(resid 42 and name HA2 ) 1.8 0.0 3.67 assign (resid 23 and name HN )(resid 43 and name HA ) 1.8 0.0 2.86 assign (resid 23 and name HN )(resid 66 and name HA ) 1.8 0.0 4.1 assign (resid 24 and name HN )(resid 66 and name HA ) 1.8 0.0 3.46 assign (resid 25 and name HN )(resid 41 and name HA ) 1.8 0.0 2.28 assign (resid 26 and name HN )(resid 41 and name HA ) 1.8 0.0 3.28 assign (resid 28 and name HN )(resid 38 and name HA ) 1.8 0.0 4.25 assign (resid 28 and name HN )(resid 39 and name HA* ) 1.8 0.0 2.69 assign (resid 36 and name HN )(resid 53 and name HA ) 1.8 0.0 3.23 assign (resid 37 and name HN )(resid 51 and name HA ) 1.8 0.0 3.32 assign (resid 41 and name HN )(resid 47 and name HA ) 1.8 0.0 3.98 assign (resid 41 and name HN )(resid 49 and name HA ) 1.8 0.0 2.93 assign (resid 43 and name HN )(resid 47 and name HA ) 1.8 0.0 3.26 assign (resid 49 and name HN )(resid 82 and name HA ) 1.8 0.0 3.19 assign (resid 51 and name HN )(resid 84 and name HA ) 1.8 0.0 2.36 assign (resid 53 and name HN )(resid 86 and name HA ) 1.8 0.0 3.26 assign (resid 56 and name HN )(resid 87 and name HA ) 1.8 0.0 3.73 assign (resid 67 and name HN )(resid 93 and name HA ) 1.8 0.0 3.88 assign (resid 73 and name HN )(resid 85 and name HA ) 1.8 0.0 3.08 assign (resid 75 and name HN )(resid 83 and name HA ) 1.8 0.0 3.21 assign (resid 77 and name HN )(resid 81 and name HA ) 1.8 0.0 2.39 assign (resid 86 and name HN )(resid 89 and name HA ) 1.8 0.0 3.92 remarks med and long range a-a assign (resid 17 and name HA )(resid 73 and name HA ) 1.8 0.0 1.97 assign (resid 19 and name HA )(resid 70 and name HA ) 1.8 0.0 2.34 assign (resid 21 and name HA )(resid 68 and name HA ) 1.8 0.0 2.22 assign (resid 22 and name HA )(resid 66 and name HA ) 1.8 0.0 3.79 assign (resid 23 and name HA )(resid 66 and name HA ) 1.8 0.0 2.03 assign (resid 24 and name HA )(resid 41 and name HA ) 1.8 0.0 2.64 assign (resid 27 and name HA )(resid 39 and name HA1 ) 1.8 0.0 3.19 assign (resid 27 and name HA )(resid 39 and name HA2 ) 1.8 0.0 3.19 assign (resid 35 and name HA )(resid 53 and name HA ) 1.8 0.0 2.07 assign (resid 38 and name HA )(resid 51 and name HA ) 1.8 0.0 2.45 assign (resid 40 and name HA )(resid 49 and name HA ) 1.8 0.0 2.34 assign (resid 42 and name HA1 )(resid 47 and name HA ) 1.8 0.0 2.8 assign (resid 42 and name HA2 )(resid 47 and name HA ) 1.8 0.0 3.34 assign (resid 43 and name HA )(resid 100 and name HA ) 1.8 0.0 4.17 assign (resid 44 and name HA )(resid 100 and name HA ) 1.8 0.0 2.45 assign (resid 67 and name HA )(resid 93 and name HA ) 1.8 0.0 2.49 assign (resid 72 and name HA )(resid 85 and name HA ) 1.8 0.0 2.62 assign (resid 76 and name HA )(resid 81 and name HA ) 1.8 0.0 2.42 remarks long side chain to NH, (bgdez)iNi+n, n>4 assign (resid 5 and name HD2* )(resid 20 and name HN ) 1.8 0.0 3.2 assign (resid 5 and name HD2* )(resid 21 and name HN ) 1.8 0.0 3.2 assign (resid 6 and name HG2* )(resid 11 and name HN ) 1.8 0.0 3.2 assign (resid 8 and name HB )(resid 46 and name HN ) 1.8 0.0 3.2 assign (resid 8 and name HD1* )(resid 43 and name HN ) 1.8 0.0 3.2 assign (resid 8 and name HD1* )(resid 46 and name HN ) 1.8 0.0 3.2 assign (resid 8 and name HD1* )(resid 48 and name HN ) 1.8 0.0 3.2 assign (resid 8 and name HG2* )(resid 47 and name HN ) 1.8 0.0 3.2 assign (resid 8 and name HG2* )(resid 48 and name HN ) 1.8 0.0 3.2 assign (resid 11 and name HD1* )(resid 83 and name HN ) 1.8 0.0 4.2 assign (resid 21 and name HG* )(resid 67 and name HN ) 1.8 0.0 3.2 assign (resid 22 and name HB* )(resid 43 and name HN ) 1.8 0.0 3.2 assign (resid 23 and name HB* )(resid 98 and name HN ) 1.8 0.0 3.2 assign (resid 24 and name HB )(resid 64 and name HN ) 1.8 0.0 3.2 assign (resid 24 and name HB )(resid 65 and name HN ) 1.8 0.0 3.2 assign (resid 24 and name HG1* )(resid 64 and name HN ) 1.8 0.0 3.2 assign (resid 24 and name HG2* )(resid 62 and name HN ) 1.8 0.0 3.2 assign (resid 24 and name HG2* )(resid 65 and name HN ) 1.8 0.0 3.2 assign (resid 24 and name HG2* )(resid 67 and name HN ) 1.8 0.0 3.2 assign (resid 25 and name HD1* )(resid 42 and name HN ) 1.8 0.0 3.2 assign (resid 25 and name HG11 )(resid 42 and name HN ) 1.8 0.0 3.2 assign (resid 25 and name HG12 )(resid 42 and name HN ) 1.8 0.0 3.2 assign (resid 27 and name HD1* )(resid 61 and name HN ) 1.8 0.0 3.2 assign (resid 27 and name HD1* )(resid 63 and name HN ) 1.8 0.0 3.2 assign (resid 30 and name HD22 )(resid 35 and name HN ) 1.8 0.0 3.2 assign (resid 35 and name HG2* )(resid 52 and name HN ) 1.8 0.0 3.2 assign (resid 37 and name HE2* )(resid 61 and name HN ) 1.8 0.0 3.2 assign (resid 40 and name HB1 )(resid 50 and name HN ) 1.8 0.0 3.2 assign (resid 48 and name HD1* )(resid 82 and name HN ) 1.8 0.0 3.2 assign (resid 48 and name HD1* )(resid 83 and name HN ) 1.8 0.0 3.2 assign (resid 58 and name HD1* )(resid 89 and name HN ) 1.8 0.0 3.2 assign (resid 58 and name HD2* )(resid 91 and name HN ) 1.8 0.0 3.2 assign (resid 66 and name HB1 )(resid 98 and name HN ) 1.8 0.0 3.2 assign (resid 66 and name HB2 )(resid 98 and name HN ) 1.8 0.0 3.2 assign (resid 66 and name HB* )(resid 98 and name HN ) 1.8 0.0 3.2 assign (resid 67 and name HE* )(resid 93 and name HN ) 1.8 0.0 3.2 assign (resid 68 and name HB1 )(resid 92 and name HN ) 1.8 0.0 3.2 assign (resid 68 and name HB2 )(resid 92 and name HN ) 1.8 0.0 3.2 assign (resid 70 and name HB* )(resid 90 and name HN ) 1.8 0.0 3.2 assign (resid 72 and name HG2* )(resid 84 and name HN ) 1.8 0.0 3.2 assign (resid 73 and name HG1* )(resid 84 and name HN ) 1.8 0.0 3.2 assign (resid 74 and name HG1* )(resid 82 and name HN ) 1.8 0.0 3.2 assign (resid 74 and name HG1* )(resid 84 and name HN ) 1.8 0.0 3.2 assign (resid 74 and name HG2* )(resid 84 and name HN ) 1.8 0.0 3.2 remarks med, long side chain to NH, (bgdez)iNi-n, n>1 assign (resid 4 and name HN )(resid 19 and name HD2* ) 1.8 0.0 3.2 assign (resid 6 and name HN )(resid 19 and name HB* ) 1.8 0.0 3.2 assign (resid 6 and name HN )(resid 20 and name HD* ) 1.8 0.0 3.2 assign (resid 7 and name HN )(resid 10 and name HB1 ) 1.8 0.0 2.47 assign (resid 7 and name HN )(resid 10 and name HB2 ) 1.8 0.0 2.47 assign (resid 7 and name HN )(resid 9 and name HG1* ) 1.8 0.0 3.47 assign (resid 9 and name HN )(resid 45 and name HB ) 1.8 0.0 3.2 assign (resid 9 and name HN )(resid 45 and name HG2* ) 1.8 0.0 3.2 assign (resid 12 and name HN )(resid 16 and name HE2* ) 1.8 0.0 3.2 assign (resid 13 and name HN )(resid 16 and name HE2* ) 1.8 0.0 2.95 assign (resid 13 and name HN )(resid 16 and name HE21 ) 1.8 0.0 3.83 assign (resid 13 and name HN )(resid 16 and name HE22 ) 1.8 0.0 3.83 assign (resid 14 and name HN )(resid 81 and name HE* ) 1.8 0.0 3.7 assign (resid 15 and name HN )(resid 73 and name HG2* ) 1.8 0.0 3.2 assign (resid 15 and name HN )(resid 74 and name HB ) 1.8 0.0 3.2 assign (resid 15 and name HN )(resid 74 and name HG1* ) 1.8 0.0 3.2 assign (resid 16 and name HN )(resid 74 and name HB ) 1.8 0.0 3.2 assign (resid 16 and name HN )(resid 74 and name HG1* ) 1.8 0.0 3.2 assign (resid 18 and name HN )(resid 72 and name HG2* ) 1.8 0.0 3.2 assign (resid 20 and name HN )(resid 68 and name HD1* ) 1.8 0.0 3.2 assign (resid 20 and name HN )(resid 69 and name HB1 ) 1.8 0.0 3.2 assign (resid 20 and name HN )(resid 72 and name HG1* ) 1.8 0.0 3.2 assign (resid 22 and name HN )(resid 98 and name HD1* ) 1.8 0.0 3.2 assign (resid 23 and name HN )(resid 98 and name HD1* ) 1.8 0.0 3.2 assign (resid 23 and name HN )(resid 98 and name HG2* ) 1.8 0.0 3.2 assign (resid 24 and name HN )(resid 41 and name HD2* ) 1.8 0.0 3.2 assign (resid 25 and name HN )(resid 41 and name HD2* ) 1.8 0.0 3.2 assign (resid 26 and name HN )(resid 40 and name HD* ) 1.8 0.0 3.2 assign (resid 27 and name HN )(resid 63 and name HG1 ) 1.8 0.0 3.2 assign (resid 28 and name HN )(resid 38 and name HG* ) 1.8 0.0 3.2 assign (resid 32 and name HN )(resid 35 and name HB ) 1.8 0.0 3.16 assign (resid 32 and name HN )(resid 35 and name HD1* ) 1.8 0.0 3.71 assign (resid 32 and name HN )(resid 35 and name HG2* ) 1.8 0.0 3.89 assign (resid 36 and name HN )(resid 52 and name HG2* ) 1.8 0.0 3.2 assign (resid 37 and name HN )(resid 52 and name HB ) 1.8 0.0 3.2 assign (resid 37 and name HN )(resid 52 and name HD1* ) 1.8 0.0 3.2 assign (resid 37 and name HN )(resid 52 and name HG11 ) 1.8 0.0 3.2 assign (resid 37 and name HN )(resid 52 and name HG12 ) 1.8 0.0 3.7 assign (resid 40 and name HN )(resid 50 and name HE* ) 1.8 0.0 3.2 assign (resid 41 and name HN )(resid 50 and name HD* ) 1.8 0.0 3.2 assign (resid 43 and name HN )(resid 100 and name HG1* ) 1.8 0.0 3.2 assign (resid 43 and name HN )(resid 47 and name HG2* ) 1.8 0.0 3.2 assign (resid 44 and name HN )(resid 98 and name HG2* ) 1.8 0.0 3.2 assign (resid 51 and name HN )(resid 85 and name HG2* ) 1.8 0.0 3.2 assign (resid 56 and name HN )(resid 58 and name HD1* ) 1.8 0.0 4.25 assign (resid 62 and name HN )(resid 67 and name HE* ) 1.8 0.0 3.2 assign (resid 65 and name HN )(resid 67 and name HD* ) 1.8 0.0 3.92 assign (resid 65 and name HN )(resid 67 and name HE* ) 1.8 0.0 4.25 assign (resid 66 and name HN )(resid 93 and name HG* ) 1.8 0.0 3.2 assign (resid 66 and name HN )(resid 97 and name HB1 ) 1.8 0.0 3.2 assign (resid 68 and name HN )(resid 92 and name HG* ) 1.8 0.0 3.2 assign (resid 68 and name HN )(resid 94 and name HD* ) 1.8 0.0 3.2 assign (resid 70 and name HN )(resid 90 and name HB* ) 1.8 0.0 3.2 assign (resid 73 and name HN )(resid 84 and name HB2 ) 1.8 0.0 3.2 assign (resid 73 and name HN )(resid 86 and name HD21 ) 1.8 0.0 3.2 assign (resid 86 and name HN )(resid 89 and name HB* ) 1.8 0.0 2.24 assign (resid 92 and name HN )(resid 94 and name HD* ) 1.8 0.0 2.93 remarks med and long range side chain to alpha, except ai-(bgde)i+3 assign (resid 5 and name HA )(resid 19 and name HB1 ) 1.8 0.0 3.2 assign (resid 5 and name HA )(resid 19 and name HB* ) 1.8 0.0 3.2 assign (resid 5 and name HA )(resid 19 and name HB2 ) 1.8 0.0 3.2 assign (resid 5 and name HD2* )(resid 19 and name HA ) 1.8 0.0 3.2 assign (resid 5 and name HD2* )(resid 20 and name HA ) 1.8 0.0 3.2 assign (resid 6 and name HG2* )(resid 11 and name HA ) 1.8 0.0 3.2 assign (resid 7 and name HA )(resid 45 and name HG2* ) 1.8 0.0 3.2 assign (resid 7 and name HA )(resid 9 and name HG1* ) 1.8 0.0 3.8 assign (resid 8 and name HD1* )(resid 47 and name HA ) 1.8 0.0 3.2 assign (resid 8 and name HG2* )(resid 48 and name HA ) 1.8 0.0 3.2 assign (resid 9 and name HA )(resid 45 and name HB ) 1.8 0.0 3.2 assign (resid 9 and name HB )(resid 45 and name HA ) 1.8 0.0 3.2 assign (resid 9 and name HG1* )(resid 45 and name HA ) 1.8 0.0 3.2 assign (resid 10 and name HA )(resid 12 and name HG1* ) 1.8 0.0 2.61 assign (resid 11 and name HA )(resid 16 and name HE2* ) 1.8 0.0 3.2 assign (resid 12 and name HA )(resid 81 and name HE* ) 1.8 0.0 3.2 assign (resid 13 and name HA )(resid 81 and name HE* ) 1.8 0.0 3.2 assign (resid 13 and name HA )(resid 81 and name HZ ) 1.8 0.0 3.2 assign (resid 14 and name HA )(resid 74 and name HB ) 1.8 0.0 3.2 assign (resid 14 and name HA )(resid 74 and name HG1* ) 1.8 0.0 3.2 assign (resid 15 and name HA1 )(resid 73 and name HG2* ) 1.8 0.0 3.2 assign (resid 15 and name HA2 )(resid 73 and name HG2* ) 1.8 0.0 3.2 assign (resid 15 and name HA* )(resid 17 and name HE1 ) 1.8 0.0 3.8 assign (resid 15 and name HA* )(resid 73 and name HG2* ) 1.8 0.0 3.2 assign (resid 17 and name HA )(resid 72 and name HG2* ) 1.8 0.0 3.2 assign (resid 17 and name HA )(resid 73 and name HG2* ) 1.8 0.0 3.2 assign (resid 17 and name HA )(resid 74 and name HG2* ) 1.8 0.0 3.2 assign (resid 17 and name HE3 )(resid 71 and name HA ) 1.8 0.0 3.2 assign (resid 19 and name HA )(resid 72 and name HG1* ) 1.8 0.0 3.2 assign (resid 19 and name HB* )(resid 70 and name HA ) 1.8 0.0 3.2 assign (resid 21 and name HA )(resid 68 and name HD1* ) 1.8 0.0 3.2 assign (resid 21 and name HG* )(resid 68 and name HA ) 1.8 0.0 3.2 assign (resid 22 and name HA )(resid 98 and name HD1* ) 1.8 0.0 3.2 assign (resid 22 and name HA )(resid 98 and name HG2* ) 1.8 0.0 3.2 assign (resid 23 and name HE* )(resid 64 and name HA* ) 1.8 0.0 3.2 assign (resid 24 and name HA )(resid 41 and name HD2* ) 1.8 0.0 3.2 assign (resid 24 and name HB )(resid 63 and name HA ) 1.8 0.0 3.2 assign (resid 24 and name HG1* )(resid 26 and name HA ) 1.8 0.0 3.35 assign (resid 24 and name HG1* )(resid 63 and name HA ) 1.8 0.0 3.2 assign (resid 24 and name HG2* )(resid 61 and name HA ) 1.8 0.0 3.5 assign (resid 25 and name HD1* )(resid 42 and name HA1 ) 1.8 0.0 3.2 assign (resid 25 and name HD1* )(resid 42 and name HA2 ) 1.8 0.0 3.2 assign (resid 26 and name HA )(resid 63 and name HE21 ) 1.8 0.0 3.2 assign (resid 26 and name HA )(resid 63 and name HE22 ) 1.8 0.0 3.2 assign (resid 26 and name HA )(resid 63 and name HG1 ) 1.8 0.0 3.2 assign (resid 27 and name HD1* )(resid 62 and name HA ) 1.8 0.0 3.2 assign (resid 27 and name HD1* )(resid 63 and name HA ) 1.8 0.0 3.2 assign (resid 27 and name HD2* )(resid 63 and name HA ) 1.8 0.0 3.2 assign (resid 29 and name HA )(resid 37 and name HG* ) 1.8 0.0 3.2 assign (resid 30 and name HA )(resid 38 and name HG* ) 1.8 0.0 3.2 assign (resid 35 and name HA )(resid 53 and name HE3 ) 1.8 0.0 3.2 assign (resid 35 and name HG2* )(resid 38 and name HA ) 1.8 0.0 3.08 assign (resid 36 and name HA )(resid 54 and name HG2 ) 1.8 0.0 3.2 assign (resid 38 and name HA )(resid 51 and name HG2* ) 1.8 0.0 3.2 assign (resid 38 and name HG* )(resid 51 and name HA ) 1.8 0.0 3.2 assign (resid 40 and name HA )(resid 50 and name HD* ) 1.8 0.0 3.2 assign (resid 40 and name HB2 )(resid 49 and name HA ) 1.8 0.0 3.2 assign (resid 40 and name HD* )(resid 42 and name HA1 ) 1.8 0.0 3.75 assign (resid 40 and name HD* )(resid 49 and name HA ) 1.8 0.0 3.2 assign (resid 42 and name HA1 )(resid 100 and name HG1* ) 1.8 0.0 3.2 assign (resid 42 and name HA1 )(resid 47 and name HG2* ) 1.8 0.0 3.2 assign (resid 42 and name HA2 )(resid 100 and name HG1* ) 1.8 0.0 3.2 assign (resid 42 and name HA2 )(resid 47 and name HG2* ) 1.8 0.0 3.2 assign (resid 43 and name HA )(resid 100 and name HG1* ) 1.8 0.0 3.2 assign (resid 43 and name HA )(resid 98 and name HD1* ) 1.8 0.0 3.2 assign (resid 43 and name HA )(resid 98 and name HG2* ) 1.8 0.0 3.2 assign (resid 44 and name HA )(resid 100 and name HG1* ) 1.8 0.0 3.2 assign (resid 48 and name HD1* )(resid 82 and name HA ) 1.8 0.0 3.2 assign (resid 50 and name HA )(resid 83 and name HG2* ) 1.8 0.0 3.2 assign (resid 51 and name HB )(resid 84 and name HA ) 1.8 0.0 3.2 assign (resid 51 and name HG2* )(resid 53 and name HA ) 1.8 0.0 3.71 assign (resid 52 and name HA )(resid 85 and name HB ) 1.8 0.0 3.2 assign (resid 52 and name HA )(resid 85 and name HG1* ) 1.8 0.0 3.2 assign (resid 52 and name HA )(resid 85 and name HG2* ) 1.8 0.0 3.2 assign (resid 52 and name HG2* )(resid 54 and name HA ) 1.8 0.0 2.55 assign (resid 53 and name HD1 )(resid 86 and name HA ) 1.8 0.0 3.2 assign (resid 53 and name HE1 )(resid 84 and name HA ) 1.8 0.0 3.2 assign (resid 56 and name HB* )(resid 58 and name HA ) 1.8 0.0 4.15 assign (resid 58 and name HD1* )(resid 90 and name HA ) 1.8 0.0 3.2 assign (resid 58 and name HD2* )(resid 90 and name HA ) 1.8 0.0 3.2 assign (resid 66 and name HA )(resid 98 and name HD1* ) 1.8 0.0 3.2 assign (resid 66 and name HB* )(resid 97 and name HA ) 1.8 0.0 3.2 assign (resid 67 and name HA )(resid 94 and name HD* ) 1.8 0.0 3.2 assign (resid 67 and name HB1 )(resid 93 and name HA ) 1.8 0.0 3.2 assign (resid 67 and name HD* )(resid 93 and name HA ) 1.8 0.0 3.2 assign (resid 67 and name HE* )(resid 93 and name HA ) 1.8 0.0 3.2 assign (resid 68 and name HD1* )(resid 70 and name HA ) 1.8 0.0 2.57 assign (resid 69 and name HD2* )(resid 91 and name HA ) 1.8 0.0 3.2 assign (resid 70 and name HA )(resid 72 and name HG1* ) 1.8 0.0 3.25 assign (resid 71 and name HB* )(resid 89 and name HA ) 1.8 0.0 3.2 assign (resid 72 and name HG1* )(resid 85 and name HA ) 1.8 0.0 3.2 assign (resid 72 and name HG2* )(resid 85 and name HA ) 1.8 0.0 3.7 assign (resid 73 and name HG1* )(resid 84 and name HA ) 1.8 0.0 3.2 assign (resid 74 and name HG2* )(resid 83 and name HA ) 1.8 0.0 3.2 assign (resid 91 and name HG2* )(resid 93 and name HA ) 1.8 0.0 3.71 assign (resid 95 and name HA )(resid 97 and name HD1 ) 1.8 0.0 3.21 remarks med and long range side chain to side chain assign (resid 3 and name HB* )(resid 19 and name HD2* ) 1.8 0.0 3.2 assign (resid 3 and name HD* )(resid 68 and name HD2* ) 1.8 0.0 3.2 assign (resid 3 and name HG1 )(resid 68 and name HD1* ) 1.8 0.0 3.2 assign (resid 3 and name HG2 )(resid 68 and name HD1* ) 1.8 0.0 3.2 assign (resid 3 and name HG* )(resid 5 and name HD2* ) 1.8 0.0 3.02 assign (resid 3 and name HG* )(resid 68 and name HD1* ) 1.8 0.0 3.2 assign (resid 3 and name HG* )(resid 68 and name HD2* ) 1.8 0.0 3.2 assign (resid 5 and name HD1* )(resid 21 and name HB* ) 1.8 0.0 3.2 assign (resid 5 and name HD1* )(resid 21 and name HE* ) 1.8 0.0 3.2 assign (resid 5 and name HD1* )(resid 68 and name HD1* ) 1.8 0.0 3.2 assign (resid 5 and name HD2* )(resid 19 and name HB1 ) 1.8 0.0 3.2 assign (resid 5 and name HD2* )(resid 19 and name HB2 ) 1.8 0.0 3.2 assign (resid 6 and name HB )(resid 18 and name HB* ) 1.8 0.0 3.2 assign (resid 6 and name HB )(resid 20 and name HD* ) 1.8 0.0 3.2 assign (resid 6 and name HG2* )(resid 10 and name HB1 ) 1.8 0.0 3.2 assign (resid 6 and name HG2* )(resid 10 and name HB* ) 1.8 0.0 3.2 assign (resid 6 and name HG2* )(resid 10 and name HB2 ) 1.8 0.0 3.2 assign (resid 6 and name HG2* )(resid 11 and name HD1* ) 1.8 0.0 3.2 assign (resid 6 and name HG2* )(resid 11 and name HG11 ) 1.8 0.0 3.2 assign (resid 6 and name HG2* )(resid 11 and name HG12 ) 1.8 0.0 3.2 assign (resid 6 and name HG2* )(resid 16 and name HE2* ) 1.8 0.0 3.2 assign (resid 6 and name HG2* )(resid 16 and name HE21 ) 1.8 0.0 3.2 assign (resid 6 and name HG2* )(resid 16 and name HE22 ) 1.8 0.0 3.2 assign (resid 6 and name HG2* )(resid 18 and name HB* ) 1.8 0.0 3.2 assign (resid 6 and name HG2* )(resid 20 and name HD* ) 1.8 0.0 3.2 assign (resid 6 and name HG2* )(resid 9 and name HG1* ) 1.8 0.0 3.94 assign (resid 7 and name HB* )(resid 10 and name HB* ) 1.8 0.0 3.04 assign (resid 7 and name HB* )(resid 45 and name HG2* ) 1.8 0.0 3.2 assign (resid 7 and name HD* )(resid 45 and name HG2* ) 1.8 0.0 3.2 assign (resid 7 and name HD* )(resid 9 and name HG1* ) 1.8 0.0 3.55 assign (resid 7 and name HE* )(resid 45 and name HG2* ) 1.8 0.0 3.2 assign (resid 7 and name HG* )(resid 45 and name HG2* ) 1.8 0.0 3.2 assign (resid 7 and name HG* )(resid 9 and name HG1* ) 1.8 0.0 3.01 assign (resid 8 and name HD1* )(resid 22 and name HB* ) 1.8 0.0 3.2 assign (resid 8 and name HD1* )(resid 43 and name HB* ) 1.8 0.0 3.2 assign (resid 8 and name HG2* )(resid 48 and name HB ) 1.8 0.0 3.2 assign (resid 8 and name HG2* )(resid 48 and name HD1* ) 1.8 0.0 3.2 assign (resid 8 and name HG2* )(resid 48 and name HG2* ) 1.8 0.0 3.2 assign (resid 9 and name HB )(resid 45 and name HB ) 1.8 0.0 3.2 assign (resid 9 and name HB )(resid 45 and name HG2* ) 1.8 0.0 3.2 assign (resid 9 and name HG1* )(resid 45 and name HB ) 1.8 0.0 3.2 assign (resid 9 and name HG1* )(resid 45 and name HG2* ) 1.8 0.0 3.2 assign (resid 9 and name HG2* )(resid 45 and name HB ) 1.8 0.0 3.2 assign (resid 11 and name HB )(resid 48 and name HD1* ) 1.8 0.0 3.2 assign (resid 11 and name HD1* )(resid 48 and name HB ) 1.8 0.0 3.2 assign (resid 11 and name HD1* )(resid 48 and name HD1* ) 1.8 0.0 3.2 assign (resid 11 and name HD1* )(resid 48 and name HG2* ) 1.8 0.0 3.2 assign (resid 11 and name HG11 )(resid 83 and name HG1* ) 1.8 0.0 3.7 assign (resid 11 and name HG2* )(resid 16 and name HE2* ) 1.8 0.0 3.2 assign (resid 11 and name HG2* )(resid 48 and name HD1* ) 1.8 0.0 3.2 assign (resid 11 and name HG2* )(resid 74 and name HG1* ) 1.8 0.0 3.2 assign (resid 11 and name HG2* )(resid 74 and name HG2* ) 1.8 0.0 3.2 assign (resid 11 and name HG2* )(resid 81 and name HB1 ) 1.8 0.0 3.2 assign (resid 11 and name HG2* )(resid 81 and name HB2 ) 1.8 0.0 3.2 assign (resid 11 and name HG2* )(resid 81 and name HD* ) 1.8 0.0 3.2 assign (resid 12 and name HG2* )(resid 16 and name HE2* ) 1.8 0.0 3.2 assign (resid 16 and name HB* )(resid 18 and name HB* ) 1.8 0.0 2.95 assign (resid 16 and name HB* )(resid 74 and name HG2* ) 1.8 0.0 3.2 assign (resid 16 and name HE21 )(resid 18 and name HB* ) 1.8 0.0 3.4 assign (resid 16 and name HE22 )(resid 18 and name HB* ) 1.8 0.0 3.4 assign (resid 16 and name HG1 )(resid 74 and name HG2* ) 1.8 0.0 3.2 assign (resid 16 and name HG2 )(resid 18 and name HB* ) 1.8 0.0 3.51 assign (resid 17 and name HD1 )(resid 73 and name HG2* ) 1.8 0.0 3.2 assign (resid 17 and name HE1 )(resid 73 and name HG2* ) 1.8 0.0 3.2 assign (resid 17 and name HZ2 )(resid 73 and name HG1* ) 1.8 0.0 3.2 assign (resid 18 and name HB* )(resid 20 and name HD* ) 1.8 0.0 3.28 assign (resid 18 and name HB* )(resid 72 and name HG2* ) 1.8 0.0 3.2 assign (resid 19 and name HB1 )(resid 68 and name HD1* ) 1.8 0.0 3.2 assign (resid 19 and name HB2 )(resid 68 and name HD1* ) 1.8 0.0 3.2 assign (resid 20 and name HB1 )(resid 69 and name HB2 ) 1.8 0.0 3.2 assign (resid 20 and name HB1 )(resid 69 and name HD1* ) 1.8 0.0 3.2 assign (resid 20 and name HB2 )(resid 69 and name HB2 ) 1.8 0.0 3.2 assign (resid 20 and name HB2 )(resid 69 and name HD1* ) 1.8 0.0 3.2 assign (resid 20 and name HB2 )(resid 72 and name HG2* ) 1.8 0.0 3.2 assign (resid 21 and name HB* )(resid 68 and name HD1* ) 1.8 0.0 3.2 assign (resid 21 and name HB* )(resid 68 and name HD2* ) 1.8 0.0 3.2 assign (resid 21 and name HD1 )(resid 66 and name HB* ) 1.8 0.0 3.2 assign (resid 21 and name HD1 )(resid 94 and name HD* ) 1.8 0.0 3.2 assign (resid 21 and name HD2 )(resid 94 and name HD* ) 1.8 0.0 3.2 assign (resid 21 and name HD2 )(resid 98 and name HD1* ) 1.8 0.0 3.2 assign (resid 21 and name HE* )(resid 66 and name HB* ) 1.8 0.0 3.7 assign (resid 21 and name HE* )(resid 68 and name HD2* ) 1.8 0.0 3.2 assign (resid 21 and name HE* )(resid 94 and name HD* ) 1.8 0.0 3.2 assign (resid 21 and name HE* )(resid 98 and name HD1* ) 1.8 0.0 3.2 assign (resid 21 and name HG* )(resid 68 and name HD1* ) 1.8 0.0 3.2 assign (resid 22 and name HB* )(resid 41 and name HD1* ) 1.8 0.0 3.2 assign (resid 22 and name HB* )(resid 41 and name HD2* ) 1.8 0.0 3.2 assign (resid 22 and name HB* )(resid 43 and name HB* ) 1.8 0.0 3.2 assign (resid 22 and name HB* )(resid 98 and name HG2* ) 1.8 0.0 3.2 assign (resid 23 and name HB* )(resid 100 and name HG2* ) 1.8 0.0 3.2 assign (resid 23 and name HB* )(resid 98 and name HD1* ) 1.8 0.0 3.2 assign (resid 23 and name HB* )(resid 98 and name HG2* ) 1.8 0.0 3.2 assign (resid 24 and name HG1* )(resid 27 and name HB1 ) 1.8 0.0 3.21 assign (resid 24 and name HG1* )(resid 27 and name HB2 ) 1.8 0.0 3.24 assign (resid 24 and name HG1* )(resid 41 and name HD2* ) 1.8 0.0 3.2 assign (resid 24 and name HG1* )(resid 50 and name HE* ) 1.8 0.0 3.7 assign (resid 24 and name HG1* )(resid 50 and name HZ ) 1.8 0.0 3.7 assign (resid 24 and name HG1* )(resid 61 and name HD2* ) 1.8 0.0 3.2 assign (resid 24 and name HG1* )(resid 63 and name HB* ) 1.8 0.0 3.2 assign (resid 24 and name HG1* )(resid 63 and name HG1 ) 1.8 0.0 3.2 assign (resid 24 and name HG2* )(resid 41 and name HD2* ) 1.8 0.0 3.2 assign (resid 24 and name HG2* )(resid 61 and name HB1 ) 1.8 0.0 3.2 assign (resid 24 and name HG2* )(resid 61 and name HD1* ) 1.8 0.0 3.2 assign (resid 24 and name HG2* )(resid 61 and name HD2* ) 1.8 0.0 3.2 assign (resid 24 and name HG2* )(resid 61 and name HG ) 1.8 0.0 3.2 assign (resid 24 and name HG2* )(resid 67 and name HD* ) 1.8 0.0 3.2 assign (resid 24 and name HG2* )(resid 67 and name HE* ) 1.8 0.0 3.2 assign (resid 25 and name HB )(resid 40 and name HD* ) 1.8 0.0 3.2 assign (resid 25 and name HG11 )(resid 40 and name HD* ) 1.8 0.0 3.2 assign (resid 25 and name HG11 )(resid 47 and name HG2* ) 1.8 0.0 3.2 assign (resid 26 and name HB* )(resid 40 and name HD1* ) 1.8 0.0 3.2 assign (resid 26 and name HB* )(resid 40 and name HD* ) 1.8 0.0 3.2 assign (resid 26 and name HB* )(resid 40 and name HD2* ) 1.8 0.0 3.2 assign (resid 27 and name HD1* )(resid 37 and name HE2* ) 1.8 0.0 3.2 assign (resid 27 and name HD1* )(resid 37 and name HE21 ) 1.8 0.0 3.2 assign (resid 27 and name HD1* )(resid 37 and name HE22 ) 1.8 0.0 3.2 assign (resid 27 and name HD1* )(resid 63 and name HB* ) 1.8 0.0 3.2 assign (resid 27 and name HD1* )(resid 63 and name HG1 ) 1.8 0.0 3.2 assign (resid 27 and name HD2* )(resid 37 and name HE* ) 1.8 0.0 3.2 assign (resid 27 and name HD2* )(resid 63 and name HG2 ) 1.8 0.0 3.2 assign (resid 27 and name HG )(resid 63 and name HB* ) 1.8 0.0 3.2 assign (resid 28 and name HB1 )(resid 38 and name HG* ) 1.8 0.0 3.2 assign (resid 28 and name HB2 )(resid 38 and name HG* ) 1.8 0.0 3.2 assign (resid 28 and name HE3 )(resid 38 and name HG* ) 1.8 0.0 3.7 assign (resid 30 and name HB* )(resid 35 and name HG2* ) 1.8 0.0 3.2 assign (resid 30 and name HB* )(resid 38 and name HG* ) 1.8 0.0 3.2 assign (resid 30 and name HD21 )(resid 35 and name HB ) 1.8 0.0 3.2 assign (resid 30 and name HD21 )(resid 35 and name HG2* ) 1.8 0.0 3.2 assign (resid 30 and name HD22 )(resid 32 and name HB* ) 1.8 0.0 3.34 assign (resid 30 and name HD22 )(resid 35 and name HB ) 1.8 0.0 3.2 assign (resid 30 and name HD22 )(resid 35 and name HG2* ) 1.8 0.0 3.2 assign (resid 32 and name HB* )(resid 35 and name HB ) 1.8 0.0 2.57 assign (resid 32 and name HB* )(resid 35 and name HD1* ) 1.8 0.0 2.08 assign (resid 32 and name HB* )(resid 35 and name HG1* ) 1.8 0.0 2.8 assign (resid 32 and name HD2 )(resid 35 and name HD1* ) 1.8 0.0 2.78 assign (resid 35 and name HB )(resid 38 and name HG* ) 1.8 0.0 3.46 assign (resid 35 and name HD1* )(resid 38 and name HG* ) 1.8 0.0 2.7 assign (resid 35 and name HG11 )(resid 53 and name HE3 ) 1.8 0.0 3.2 assign (resid 35 and name HG12 )(resid 53 and name HE3 ) 1.8 0.0 3.2 assign (resid 35 and name HG1* )(resid 51 and name HG2* ) 1.8 0.0 3.7 assign (resid 35 and name HG1* )(resid 53 and name HZ3 ) 1.8 0.0 3.2 assign (resid 35 and name HG2* )(resid 38 and name HB ) 1.8 0.0 2.99 assign (resid 35 and name HG2* )(resid 38 and name HG* ) 1.8 0.0 1.6 assign (resid 35 and name HG2* )(resid 51 and name HG2* ) 1.8 0.0 3.7 assign (resid 36 and name HB* )(resid 52 and name HB ) 1.8 0.0 3.2 assign (resid 36 and name HB* )(resid 52 and name HD1* ) 1.8 0.0 3.2 assign (resid 36 and name HB* )(resid 52 and name HG11 ) 1.8 0.0 3.5 assign (resid 36 and name HB* )(resid 52 and name HG12 ) 1.8 0.0 3.5 assign (resid 36 and name HB* )(resid 54 and name HG1 ) 1.8 0.0 3.2 assign (resid 36 and name HB* )(resid 54 and name HG2 ) 1.8 0.0 3.2 assign (resid 37 and name HB* )(resid 50 and name HE* ) 1.8 0.0 3.2 assign (resid 37 and name HB* )(resid 50 and name HZ ) 1.8 0.0 3.2 assign (resid 37 and name HB* )(resid 52 and name HD1* ) 1.8 0.0 3.5 assign (resid 37 and name HB* )(resid 60 and name HD2* ) 1.8 0.0 3.2 assign (resid 37 and name HE21 )(resid 60 and name HB1 ) 1.8 0.0 3.2 assign (resid 37 and name HE21 )(resid 60 and name HD2* ) 1.8 0.0 3.2 assign (resid 37 and name HE22 )(resid 60 and name HB1 ) 1.8 0.0 3.2 assign (resid 37 and name HE22 )(resid 60 and name HD2* ) 1.8 0.0 3.2 assign (resid 37 and name HE2* )(resid 60 and name HD2* ) 1.8 0.0 3.2 assign (resid 38 and name HG* )(resid 51 and name HG2* ) 1.8 0.0 3.2 assign (resid 40 and name HB1 )(resid 49 and name HD* ) 1.8 0.0 4.0 assign (resid 40 and name HB1 )(resid 49 and name HG* ) 1.8 0.0 3.2 assign (resid 40 and name HB2 )(resid 49 and name HD* ) 1.8 0.0 3.5 assign (resid 40 and name HD* )(resid 47 and name HB ) 1.8 0.0 3.2 assign (resid 40 and name HD* )(resid 47 and name HG2* ) 1.8 0.0 3.2 assign (resid 41 and name HB1 )(resid 43 and name HB* ) 1.8 0.0 3.95 assign (resid 41 and name HB2 )(resid 48 and name HG2* ) 1.8 0.0 3.2 assign (resid 41 and name HB2 )(resid 83 and name HG2* ) 1.8 0.0 3.2 assign (resid 41 and name HD1* )(resid 48 and name HG2* ) 1.8 0.0 3.2 assign (resid 41 and name HD1* )(resid 50 and name HB2 ) 1.8 0.0 3.2 assign (resid 41 and name HD1* )(resid 50 and name HD* ) 1.8 0.0 3.2 assign (resid 41 and name HD1* )(resid 69 and name HD1* ) 1.8 0.0 3.7 assign (resid 41 and name HD1* )(resid 69 and name HD2* ) 1.8 0.0 3.7 assign (resid 41 and name HD1* )(resid 83 and name HG2* ) 1.8 0.0 3.2 assign (resid 41 and name HD1* )(resid 85 and name HG2* ) 1.8 0.0 3.2 assign (resid 41 and name HD2* )(resid 50 and name HD* ) 1.8 0.0 3.2 assign (resid 41 and name HD2* )(resid 50 and name HE* ) 1.8 0.0 3.2 assign (resid 41 and name HD2* )(resid 61 and name HD2* ) 1.8 0.0 3.2 assign (resid 41 and name HD2* )(resid 69 and name HD1* ) 1.8 0.0 3.7 assign (resid 43 and name HB* )(resid 98 and name HG2* ) 1.8 0.0 3.2 assign (resid 48 and name HD1* )(resid 81 and name HB1 ) 1.8 0.0 3.2 assign (resid 48 and name HD1* )(resid 81 and name HB2 ) 1.8 0.0 3.2 assign (resid 48 and name HD1* )(resid 83 and name HG1* ) 1.8 0.0 3.2 assign (resid 48 and name HD1* )(resid 83 and name HG2* ) 1.8 0.0 3.2 assign (resid 48 and name HG2* )(resid 82 and name HB* ) 1.8 0.0 4.2 assign (resid 49 and name HB* )(resid 77 and name HE* ) 1.8 0.0 3.2 assign (resid 49 and name HE* )(resid 77 and name HE* ) 1.8 0.0 3.2 assign (resid 50 and name HD* )(resid 52 and name HD1* ) 1.8 0.0 1.93 assign (resid 50 and name HD* )(resid 52 and name HG12 ) 1.8 0.0 2.94 assign (resid 50 and name HD* )(resid 85 and name HG2* ) 1.8 0.0 3.2 assign (resid 50 and name HE* )(resid 52 and name HD1* ) 1.8 0.0 1.87 assign (resid 50 and name HE* )(resid 52 and name HG12 ) 1.8 0.0 2.77 assign (resid 50 and name HE* )(resid 61 and name HD2* ) 1.8 0.0 3.2 assign (resid 50 and name HZ )(resid 61 and name HD2* ) 1.8 0.0 3.2 assign (resid 51 and name HB )(resid 53 and name HE1 ) 1.8 0.0 2.86 assign (resid 52 and name HD1* )(resid 61 and name HD1* ) 1.8 0.0 3.2 assign (resid 52 and name HD1* )(resid 61 and name HD2* ) 1.8 0.0 3.2 assign (resid 52 and name HD1* )(resid 85 and name HB ) 1.8 0.0 3.2 assign (resid 52 and name HD1* )(resid 85 and name HG1* ) 1.8 0.0 3.2 assign (resid 52 and name HG2* )(resid 54 and name HG2 ) 1.8 0.0 3.70 assign (resid 52 and name HG2* )(resid 58 and name HB* ) 1.8 0.0 3.2 assign (resid 52 and name HG2* )(resid 58 and name HD1* ) 1.8 0.0 3.7 assign (resid 52 and name HG2* )(resid 61 and name HD1* ) 1.8 0.0 3.2 assign (resid 52 and name HG2* )(resid 85 and name HB ) 1.8 0.0 3.2 assign (resid 53 and name HE1 )(resid 73 and name HG1* ) 1.8 0.0 3.2 assign (resid 53 and name HE1 )(resid 84 and name HB1 ) 1.8 0.0 3.2 assign (resid 53 and name HE1 )(resid 84 and name HB2 ) 1.8 0.0 3.2 assign (resid 53 and name HE1 )(resid 84 and name HG2 ) 1.8 0.0 3.2 assign (resid 54 and name HB* )(resid 56 and name HB* ) 1.8 0.0 4.0 assign (resid 56 and name HB* )(resid 58 and name HD1* ) 1.8 0.0 2.64 assign (resid 56 and name HB* )(resid 58 and name HD2* ) 1.8 0.0 2.91 assign (resid 56 and name HB* )(resid 58 and name HG ) 1.8 0.0 2.31 assign (resid 58 and name HB* )(resid 91 and name HD1* ) 1.8 0.0 3.2 assign (resid 58 and name HD1* )(resid 89 and name HB* ) 1.8 0.0 3.2 assign (resid 58 and name HD2* )(resid 91 and name HB ) 1.8 0.0 3.5 assign (resid 58 and name HD2* )(resid 91 and name HD1* ) 1.8 0.0 3.2 assign (resid 59 and name HD2 )(resid 91 and name HD1* ) 1.8 0.0 3.2 assign (resid 61 and name HB1 )(resid 67 and name HE* ) 1.8 0.0 3.2 assign (resid 61 and name HD1* )(resid 69 and name HD2* ) 1.8 0.0 3.7 assign (resid 61 and name HD1* )(resid 91 and name HB ) 1.8 0.0 3.2 assign (resid 61 and name HD1* )(resid 91 and name HD1* ) 1.8 0.0 3.2 assign (resid 61 and name HD1* )(resid 91 and name HG11 ) 1.8 0.0 3.2 assign (resid 61 and name HD1* )(resid 91 and name HG12 ) 1.8 0.0 3.2 assign (resid 61 and name HD1* )(resid 91 and name HG2* ) 1.8 0.0 3.2 assign (resid 61 and name HD2* )(resid 69 and name HD1* ) 1.8 0.0 3.7 assign (resid 61 and name HD2* )(resid 69 and name HD2* ) 1.8 0.0 3.7 assign (resid 61 and name HD2* )(resid 85 and name HG2* ) 1.8 0.0 3.2 assign (resid 61 and name HD2* )(resid 91 and name HD1* ) 1.8 0.0 3.2 assign (resid 61 and name HD2* )(resid 91 and name HG2* ) 1.8 0.0 3.2 assign (resid 65 and name HB1 )(resid 67 and name HE* ) 1.8 0.0 3.09 assign (resid 65 and name HB1 )(resid 93 and name HG* ) 1.8 0.0 3.2 assign (resid 65 and name HB2 )(resid 67 and name HE* ) 1.8 0.0 2.91 assign (resid 66 and name HB1 )(resid 94 and name HB2 ) 1.8 0.0 3.2 assign (resid 66 and name HB1 )(resid 98 and name HD1* ) 1.8 0.0 3.2 assign (resid 66 and name HB2 )(resid 94 and name HB2 ) 1.8 0.0 3.2 assign (resid 66 and name HB2 )(resid 98 and name HD1* ) 1.8 0.0 3.2 assign (resid 66 and name HB* )(resid 94 and name HB2 ) 1.8 0.0 3.2 assign (resid 66 and name HB* )(resid 98 and name HD1* ) 1.8 0.0 3.2 assign (resid 66 and name HB* )(resid 98 and name HG1* ) 1.8 0.0 3.2 assign (resid 67 and name HB1 )(resid 69 and name HD1* ) 1.8 0.0 3.67 assign (resid 67 and name HB1 )(resid 69 and name HD2* ) 1.8 0.0 2.83 assign (resid 67 and name HB1 )(resid 69 and name HG ) 1.8 0.0 3.32 assign (resid 67 and name HB1 )(resid 91 and name HG2* ) 1.8 0.0 3.2 assign (resid 67 and name HB2 )(resid 69 and name HD1* ) 1.8 0.0 2.99 assign (resid 67 and name HB2 )(resid 69 and name HD2* ) 1.8 0.0 3.12 assign (resid 67 and name HB2 )(resid 69 and name HG ) 1.8 0.0 3.32 assign (resid 67 and name HB2 )(resid 91 and name HG2* ) 1.8 0.0 3.2 assign (resid 67 and name HD* )(resid 69 and name HD1* ) 1.8 0.0 4.25 assign (resid 67 and name HD* )(resid 69 and name HD2* ) 1.8 0.0 3.5 assign (resid 67 and name HD* )(resid 91 and name HG2* ) 1.8 0.0 3.2 assign (resid 67 and name HE* )(resid 91 and name HG2* ) 1.8 0.0 3.2 assign (resid 67 and name HE* )(resid 93 and name HB* ) 1.8 0.0 3.2 assign (resid 68 and name HB1 )(resid 94 and name HD* ) 1.8 0.0 3.2 assign (resid 68 and name HB2 )(resid 92 and name HG* ) 1.8 0.0 3.2 assign (resid 68 and name HB2 )(resid 94 and name HD* ) 1.8 0.0 3.2 assign (resid 68 and name HD1* )(resid 70 and name HB* ) 1.8 0.0 3.57 assign (resid 68 and name HD1* )(resid 70 and name HD1 ) 1.8 0.0 3.14 assign (resid 68 and name HD1* )(resid 70 and name HD* ) 1.8 0.0 2.22 assign (resid 68 and name HD1* )(resid 70 and name HD2 ) 1.8 0.0 3.14 assign (resid 68 and name HD1* )(resid 70 and name HG1 ) 1.8 0.0 3.29 assign (resid 68 and name HD1* )(resid 70 and name HG2 ) 1.8 0.0 3.15 assign (resid 68 and name HD2* )(resid 70 and name HG1 ) 1.8 0.0 3.21 assign (resid 68 and name HD2* )(resid 70 and name HG2 ) 1.8 0.0 3.78 assign (resid 68 and name HD2* )(resid 92 and name HG* ) 1.8 0.0 3.2 assign (resid 68 and name HD2* )(resid 94 and name HD* ) 1.8 0.0 3.2 assign (resid 68 and name HG )(resid 70 and name HD1 ) 1.8 0.0 4.22 assign (resid 68 and name HG )(resid 70 and name HD* ) 1.8 0.0 3.26 assign (resid 68 and name HG )(resid 70 and name HD2 ) 1.8 0.0 4.22 assign (resid 68 and name HG )(resid 70 and name HE ) 1.8 0.0 4.25 assign (resid 68 and name HG )(resid 94 and name HD* ) 1.8 0.0 3.2 assign (resid 69 and name HB1 )(resid 72 and name HG1* ) 1.8 0.0 3.28 assign (resid 69 and name HB1 )(resid 72 and name HG2* ) 1.8 0.0 3.73 assign (resid 69 and name HB1 )(resid 85 and name HG1* ) 1.8 0.0 3.7 assign (resid 69 and name HB1 )(resid 85 and name HG2* ) 1.8 0.0 3.7 assign (resid 69 and name HB2 )(resid 72 and name HG1* ) 1.8 0.0 3.20 assign (resid 69 and name HD1* )(resid 72 and name HG1* ) 1.8 0.0 3.23 assign (resid 69 and name HD1* )(resid 85 and name HG2* ) 1.8 0.0 3.2 assign (resid 69 and name HD2* )(resid 72 and name HG1* ) 1.8 0.0 3.21 assign (resid 69 and name HD2* )(resid 85 and name HG1* ) 1.8 0.0 3.2 assign (resid 69 and name HD2* )(resid 85 and name HG2* ) 1.8 0.0 3.2 assign (resid 69 and name HD2* )(resid 91 and name HD1* ) 1.8 0.0 3.2 assign (resid 69 and name HD2* )(resid 91 and name HG12 ) 1.8 0.0 3.2 assign (resid 69 and name HD2* )(resid 91 and name HG2* ) 1.8 0.0 3.2 assign (resid 70 and name HB* )(resid 90 and name HB* ) 1.8 0.0 3.2 assign (resid 70 and name HD* )(resid 90 and name HB* ) 1.8 0.0 3.2 assign (resid 72 and name HB )(resid 85 and name HG2* ) 1.8 0.0 3.2 assign (resid 72 and name HG1* )(resid 85 and name HG2* ) 1.8 0.0 3.2 assign (resid 72 and name HG1* )(resid 89 and name HB1 ) 1.8 0.0 3.2 assign (resid 72 and name HG1* )(resid 89 and name HB2 ) 1.8 0.0 3.2 assign (resid 72 and name HG2* )(resid 83 and name HB ) 1.8 0.0 3.2 assign (resid 72 and name HG2* )(resid 83 and name HG1* ) 1.8 0.0 3.2 assign (resid 73 and name HG1* )(resid 84 and name HB1 ) 1.8 0.0 3.2 assign (resid 73 and name HG1* )(resid 84 and name HB2 ) 1.8 0.0 3.2 assign (resid 73 and name HG1* )(resid 84 and name HE21 ) 1.8 0.0 3.2 assign (resid 73 and name HG1* )(resid 84 and name HE22 ) 1.8 0.0 3.2 assign (resid 73 and name HG1* )(resid 84 and name HG1 ) 1.8 0.0 3.2 assign (resid 73 and name HG1* )(resid 84 and name HG2 ) 1.8 0.0 3.2 assign (resid 73 and name HG1* )(resid 86 and name HD21 ) 1.8 0.0 3.2 assign (resid 73 and name HG1* )(resid 86 and name HD22 ) 1.8 0.0 3.2 assign (resid 74 and name HG1* )(resid 81 and name HB1 ) 1.8 0.0 3.2 assign (resid 74 and name HG1* )(resid 81 and name HB2 ) 1.8 0.0 3.2 assign (resid 74 and name HG1* )(resid 81 and name HD* ) 1.8 0.0 3.2 assign (resid 77 and name HB* )(resid 80 and name HB* ) 1.8 0.0 3.09 assign (resid 77 and name HB* )(resid 82 and name HG* ) 1.8 0.0 3.2 assign (resid 77 and name HD* )(resid 80 and name HD* ) 1.8 0.0 4.25 assign (resid 77 and name HD* )(resid 80 and name HG* ) 1.8 0.0 4.16 assign (resid 77 and name HD* )(resid 82 and name HB* ) 1.8 0.0 3.2 assign (resid 77 and name HD* )(resid 82 and name HE21 ) 1.8 0.0 3.2 assign (resid 77 and name HD* )(resid 82 and name HG* ) 1.8 0.0 3.2 assign (resid 77 and name HE* )(resid 80 and name HB* ) 1.8 0.0 4.07 assign (resid 83 and name HB )(resid 85 and name HG2* ) 1.8 0.0 3.3 assign (resid 85 and name HG1* )(resid 89 and name HB1 ) 1.8 0.0 3.2 assign (resid 85 and name HG1* )(resid 89 and name HB* ) 1.8 0.0 3.2 assign (resid 85 and name HG1* )(resid 89 and name HB2 ) 1.8 0.0 3.2 assign (resid 85 and name HG1* )(resid 91 and name HD1* ) 1.8 0.0 3.2 assign (resid 92 and name HG* )(resid 94 and name HD* ) 1.8 0.0 2.39 assign (resid 98 and name HB )(resid 100 and name HG2* ) 1.8 0.0 4.25 assign (resid 99 and name HG* )(resid 102 and name HB* ) 1.8 0.0 4.25 remarks intraresidue assign (resid 4 and name HA )(resid 4 and name HE2* ) 1.8 0.0 3.45 assign (resid 4 and name HA )(resid 4 and name HG* ) 1.8 0.0 2.1 assign (resid 4 and name HN )(resid 4 and name HB* ) 1.8 0.0 1.18 assign (resid 5 and name HA )(resid 5 and name HD1* ) 1.8 0.0 2.59 assign (resid 5 and name HA )(resid 5 and name HD2* ) 1.8 0.0 1.96 assign (resid 5 and name HB1 )(resid 5 and name HD1* ) 1.8 0.0 1.89 assign (resid 5 and name HB1 )(resid 5 and name HD2* ) 1.8 0.0 1.85 assign (resid 5 and name HB2 )(resid 5 and name HD1* ) 1.8 0.0 1.89 assign (resid 5 and name HB2 )(resid 5 and name HD2* ) 1.8 0.0 1.85 assign (resid 5 and name HN )(resid 5 and name HB1 ) 1.8 0.0 2.34 assign (resid 5 and name HN )(resid 5 and name HB* ) 1.8 0.0 1.65 assign (resid 5 and name HN )(resid 5 and name HB2 ) 1.8 0.0 2.34 assign (resid 5 and name HN )(resid 5 and name HD1* ) 1.8 0.0 2.39 assign (resid 5 and name HN )(resid 5 and name HG ) 1.8 0.0 2.25 assign (resid 6 and name HA )(resid 6 and name HG2* ) 1.8 0.0 1.58 assign (resid 6 and name HN )(resid 6 and name HB ) 1.8 0.0 1.82 assign (resid 6 and name HN )(resid 6 and name HG2* ) 1.8 0.0 2.53 assign (resid 8 and name HA )(resid 8 and name HD1* ) 1.8 0.0 2.43 assign (resid 8 and name HG2* )(resid 8 and name HD1* ) 1.8 0.0 1.69 assign (resid 8 and name HN )(resid 8 and name HB ) 1.8 0.0 2.12 assign (resid 8 and name HN )(resid 8 and name HD1* ) 1.8 0.0 2.86 assign (resid 8 and name HN )(resid 8 and name HG2* ) 1.8 0.0 2.66 assign (resid 9 and name HA )(resid 9 and name HG1* ) 1.8 0.0 2.05 assign (resid 9 and name HA )(resid 9 and name HG2* ) 1.8 0.0 1.39 assign (resid 9 and name HN )(resid 9 and name HB ) 1.8 0.0 2.02 assign (resid 9 and name HN )(resid 9 and name HG1* ) 1.8 0.0 1.52 assign (resid 9 and name HN )(resid 9 and name HG2* ) 1.8 0.0 2.55 assign (resid 10 and name HN )(resid 10 and name HB1 ) 1.8 0.0 2.13 assign (resid 10 and name HN )(resid 10 and name HB* ) 1.8 0.0 1.62 assign (resid 10 and name HN )(resid 10 and name HB2 ) 1.8 0.0 2.13 assign (resid 11 and name HA )(resid 11 and name HD1* ) 1.8 0.0 2.69 assign (resid 11 and name HA )(resid 11 and name HG11 ) 1.8 0.0 2.68 assign (resid 11 and name HA )(resid 11 and name HG12 ) 1.8 0.0 1.94 assign (resid 11 and name HA )(resid 11 and name HG2* ) 1.8 0.0 1.9 assign (resid 11 and name HG2* )(resid 11 and name HG11 ) 1.8 0.0 2.52 assign (resid 11 and name HG2* )(resid 11 and name HG12 ) 1.8 0.0 1.23 assign (resid 11 and name HN )(resid 11 and name HB ) 1.8 0.0 1.41 assign (resid 11 and name HN )(resid 11 and name HD1* ) 1.8 0.0 1.81 assign (resid 11 and name HN )(resid 11 and name HG11 ) 1.8 0.0 1.96 assign (resid 11 and name HN )(resid 11 and name HG12 ) 1.8 0.0 2.26 assign (resid 11 and name HN )(resid 11 and name HG2* ) 1.8 0.0 3.06 assign (resid 12 and name HA )(resid 12 and name HG1* ) 1.8 0.0 1.52 assign (resid 12 and name HA )(resid 12 and name HG2* ) 1.8 0.0 2.17 assign (resid 12 and name HN )(resid 12 and name HG1* ) 1.8 0.0 2.43 assign (resid 12 and name HN )(resid 12 and name HG2* ) 1.8 0.0 1.76 assign (resid 13 and name HA )(resid 13 and name HG1 ) 1.8 0.0 2.23 assign (resid 13 and name HA )(resid 13 and name HG2 ) 1.8 0.0 2.23 assign (resid 13 and name HN )(resid 13 and name HB1 ) 1.8 0.0 2.46 assign (resid 13 and name HN )(resid 13 and name HB* ) 1.8 0.0 1.86 assign (resid 13 and name HN )(resid 13 and name HB2 ) 1.8 0.0 2.46 assign (resid 13 and name HN )(resid 13 and name HG* ) 1.8 0.0 2.52 assign (resid 14 and name HA )(resid 14 and name HD21 ) 1.8 0.0 3.94 assign (resid 14 and name HA )(resid 14 and name HD2* ) 1.8 0.0 3.13 assign (resid 14 and name HA )(resid 14 and name HD22 ) 1.8 0.0 3.94 assign (resid 14 and name HB2 )(resid 14 and name HD2* ) 1.8 0.0 2.07 assign (resid 14 and name HN )(resid 14 and name HB1 ) 1.8 0.0 1.62 assign (resid 14 and name HN )(resid 14 and name HD21 ) 1.8 0.0 3.57 assign (resid 14 and name HN )(resid 14 and name HD22 ) 1.8 0.0 3.70 assign (resid 16 and name HA )(resid 16 and name HG1 ) 1.8 0.0 2.58 assign (resid 16 and name HA )(resid 16 and name HG2 ) 1.8 0.0 2.75 assign (resid 16 and name HB* )(resid 16 and name HE2* ) 1.8 0.0 3.04 assign (resid 16 and name HG1 )(resid 16 and name HE2* ) 1.8 0.0 2.14 assign (resid 16 and name HG2 )(resid 16 and name HE2* ) 1.8 0.0 2.01 assign (resid 16 and name HN )(resid 16 and name HB* ) 1.8 0.0 1.63 assign (resid 16 and name HN )(resid 16 and name HG1 ) 1.8 0.0 3.19 assign (resid 17 and name HA )(resid 17 and name HD1 ) 1.8 0.0 2.95 assign (resid 17 and name HA )(resid 17 and name HE1 ) 1.8 0.0 4.04 assign (resid 17 and name HA )(resid 17 and name HE3 ) 1.8 0.0 3.84 assign (resid 17 and name HB* )(resid 17 and name HD1 ) 1.8 0.0 1.95 assign (resid 17 and name HB* )(resid 17 and name HE1 ) 1.8 0.0 3.25 assign (resid 17 and name HN )(resid 17 and name HD1 ) 1.8 0.0 2.45 assign (resid 18 and name HN )(resid 18 and name HB* ) 1.8 0.0 1.74 assign (resid 19 and name HN )(resid 19 and name HD21 ) 1.8 0.0 3.29 assign (resid 19 and name HN )(resid 19 and name HD2* ) 1.8 0.0 2.53 assign (resid 20 and name HN )(resid 20 and name HB1 ) 1.8 0.0 2.35 assign (resid 20 and name HN )(resid 20 and name HB2 ) 1.8 0.0 1.98 assign (resid 20 and name HN )(resid 20 and name HD* ) 1.8 0.0 2.45 assign (resid 21 and name HA )(resid 21 and name HD2 ) 1.8 0.0 3.28 assign (resid 21 and name HN )(resid 21 and name HB* ) 1.8 0.0 2.06 assign (resid 21 and name HN )(resid 21 and name HE1 ) 1.8 0.0 4.25 assign (resid 21 and name HN )(resid 21 and name HG* ) 1.8 0.0 3.19 assign (resid 22 and name HN )(resid 22 and name HB* ) 1.8 0.0 1.57 assign (resid 23 and name HN )(resid 23 and name HB1 ) 1.8 0.0 2.14 assign (resid 23 and name HN )(resid 23 and name HB* ) 1.8 0.0 1.6 assign (resid 23 and name HN )(resid 23 and name HB2 ) 1.8 0.0 2.14 assign (resid 24 and name HA )(resid 24 and name HG1* ) 1.8 0.0 2.05 assign (resid 24 and name HA )(resid 24 and name HG2* ) 1.8 0.0 1.93 assign (resid 24 and name HN )(resid 24 and name HB ) 1.8 0.0 1.81 assign (resid 24 and name HN )(resid 24 and name HG1* ) 1.8 0.0 3 assign (resid 24 and name HN )(resid 24 and name HG2* ) 1.8 0.0 1.48 assign (resid 25 and name HA )(resid 25 and name HD1* ) 1.8 0.0 2.18 assign (resid 25 and name HA )(resid 25 and name HG12 ) 1.8 0.0 2.64 assign (resid 25 and name HA )(resid 25 and name HG2* ) 1.8 0.0 1.86 assign (resid 25 and name HG2* )(resid 25 and name HG11 ) 1.8 0.0 1.97 assign (resid 25 and name HG2* )(resid 25 and name HG12 ) 1.8 0.0 2.25 assign (resid 25 and name HN )(resid 25 and name HB ) 1.8 0.0 2.34 assign (resid 25 and name HN )(resid 25 and name HD1* ) 1.8 0.0 2.61 assign (resid 25 and name HN )(resid 25 and name HG11 ) 1.8 0.0 2.8 assign (resid 25 and name HN )(resid 25 and name HG12 ) 1.8 0.0 2.27 assign (resid 25 and name HN )(resid 25 and name HG2* ) 1.8 0.0 2.5 assign (resid 26 and name HA )(resid 26 and name HE2* ) 1.8 0.0 3.61 assign (resid 26 and name HG* )(resid 26 and name HE2* ) 1.8 0.0 1.63 assign (resid 26 and name HN )(resid 26 and name HB* ) 1.8 0.0 2.06 assign (resid 26 and name HN )(resid 26 and name HG1 ) 1.8 0.0 3.21 assign (resid 26 and name HN )(resid 26 and name HG* ) 1.8 0.0 2.6 assign (resid 26 and name HN )(resid 26 and name HG2 ) 1.8 0.0 3.21 assign (resid 27 and name HA )(resid 27 and name HD1* ) 1.8 0.0 2.89 assign (resid 27 and name HA )(resid 27 and name HD2* ) 1.8 0.0 2.43 assign (resid 27 and name HB1 )(resid 27 and name HD1* ) 1.8 0.0 1.8 assign (resid 27 and name HB2 )(resid 27 and name HD1* ) 1.8 0.0 1.97 assign (resid 27 and name HB2 )(resid 27 and name HD2* ) 1.8 0.0 2.55 assign (resid 27 and name HN )(resid 27 and name HD1* ) 1.8 0.0 2.83 assign (resid 27 and name HN )(resid 27 and name HG ) 1.8 0.0 2.36 assign (resid 28 and name HA )(resid 28 and name HE1 ) 1.8 0.0 3.61 assign (resid 28 and name HN )(resid 28 and name HD1 ) 1.8 0.0 4.06 assign (resid 29 and name HN )(resid 29 and name HB* ) 1.8 0.0 1.27 assign (resid 30 and name HA )(resid 30 and name HD21 ) 1.8 0.0 3.39 assign (resid 30 and name HN )(resid 30 and name HB* ) 1.8 0.0 1.86 assign (resid 30 and name HN )(resid 30 and name HD21 ) 1.8 0.0 3.21 assign (resid 31 and name HA )(resid 31 and name HG2* ) 1.8 0.0 1.31 assign (resid 31 and name HN )(resid 31 and name HG2* ) 1.8 0.0 3.3 assign (resid 32 and name HA )(resid 32 and name HD2 ) 1.8 0.0 3.66 assign (resid 32 and name HB* )(resid 32 and name HD2 ) 1.8 0.0 2.17 assign (resid 32 and name HN )(resid 32 and name HB* ) 1.8 0.0 1.32 assign (resid 33 and name HA )(resid 33 and name HG* ) 1.8 0.0 1.94 assign (resid 33 and name HN )(resid 33 and name HB* ) 1.8 0.0 1.72 assign (resid 33 and name HN )(resid 33 and name HG* ) 1.8 0.0 2.48 assign (resid 35 and name HA )(resid 35 and name HD1* ) 1.8 0.0 2.64 assign (resid 35 and name HN )(resid 35 and name HB ) 1.8 0.0 1.53 assign (resid 35 and name HN )(resid 35 and name HD1* ) 1.8 0.0 2.3 assign (resid 35 and name HN )(resid 35 and name HG11 ) 1.8 0.0 2.85 assign (resid 35 and name HN )(resid 35 and name HG1* ) 1.8 0.0 1.97 assign (resid 35 and name HN )(resid 35 and name HG12 ) 1.8 0.0 2.85 assign (resid 35 and name HN )(resid 35 and name HG2* ) 1.8 0.0 2.68 assign (resid 36 and name HN )(resid 36 and name HB* ) 1.8 0.0 1.79 assign (resid 37 and name HB* )(resid 37 and name HE2* ) 1.8 0.0 3.02 assign (resid 37 and name HN )(resid 37 and name HG* ) 1.8 0.0 3.06 assign (resid 38 and name HA )(resid 38 and name HG* ) 1.8 0.0 1.9 assign (resid 38 and name HN )(resid 38 and name HG* ) 1.8 0.0 1.41 assign (resid 40 and name HA )(resid 40 and name HD* ) 1.8 0.0 2.63 assign (resid 40 and name HB1 )(resid 40 and name HD1* ) 1.8 0.0 2.66 assign (resid 40 and name HB1 )(resid 40 and name HD2* ) 1.8 0.0 2.66 assign (resid 41 and name HA )(resid 41 and name HD1* ) 1.8 0.0 3.28 assign (resid 41 and name HA )(resid 41 and name HD2* ) 1.8 0.0 1.75 assign (resid 41 and name HB1 )(resid 41 and name HD1* ) 1.8 0.0 2.4 assign (resid 41 and name HB1 )(resid 41 and name HD2* ) 1.8 0.0 1.61 assign (resid 41 and name HB2 )(resid 41 and name HD1* ) 1.8 0.0 1.87 assign (resid 41 and name HN )(resid 41 and name HB2 ) 1.8 0.0 2.23 assign (resid 41 and name HN )(resid 41 and name HD1* ) 1.8 0.0 2.94 assign (resid 41 and name HN )(resid 41 and name HD2* ) 1.8 0.0 2.81 assign (resid 44 and name HN )(resid 44 and name HB1 ) 1.8 0.0 2.42 assign (resid 44 and name HN )(resid 44 and name HB* ) 1.8 0.0 1.91 assign (resid 44 and name HN )(resid 44 and name HB2 ) 1.8 0.0 2.42 assign (resid 44 and name HN )(resid 44 and name HG1 ) 1.8 0.0 2.94 assign (resid 44 and name HN )(resid 44 and name HG* ) 1.8 0.0 2.29 assign (resid 44 and name HN )(resid 44 and name HG2 ) 1.8 0.0 2.94 assign (resid 45 and name HA )(resid 45 and name HG2* ) 1.8 0.0 1.65 assign (resid 45 and name HN )(resid 45 and name HG2* ) 1.8 0.0 1.78 assign (resid 47 and name HA )(resid 47 and name HD1* ) 1.8 0.0 2.84 assign (resid 47 and name HA )(resid 47 and name HG2* ) 1.8 0.0 1.93 assign (resid 47 and name HB )(resid 47 and name HD1* ) 1.8 0.0 1.97 assign (resid 47 and name HG2* )(resid 47 and name HG1* ) 1.8 0.0 1.94 assign (resid 47 and name HN )(resid 47 and name HB ) 1.8 0.0 2.49 assign (resid 47 and name HN )(resid 47 and name HD1* ) 1.8 0.0 2.83 assign (resid 47 and name HN )(resid 47 and name HG1* ) 1.8 0.0 2.39 assign (resid 47 and name HN )(resid 47 and name HG2* ) 1.8 0.0 2.36 assign (resid 48 and name HA )(resid 48 and name HD1* ) 1.8 0.0 2.57 assign (resid 48 and name HA )(resid 48 and name HG11 ) 1.8 0.0 1.87 assign (resid 48 and name HA )(resid 48 and name HG12 ) 1.8 0.0 2.12 assign (resid 48 and name HG2* )(resid 48 and name HD1* ) 1.8 0.0 1.45 assign (resid 48 and name HG2* )(resid 48 and name HG12 ) 1.8 0.0 2.33 assign (resid 48 and name HN )(resid 48 and name HD1* ) 1.8 0.0 4.2 assign (resid 48 and name HN )(resid 48 and name HG2* ) 1.8 0.0 1.84 assign (resid 49 and name HA )(resid 49 and name HD1 ) 1.8 0.0 3.16 assign (resid 49 and name HA )(resid 49 and name HD* ) 1.8 0.0 2.53 assign (resid 49 and name HA )(resid 49 and name HD2 ) 1.8 0.0 3.16 assign (resid 49 and name HA )(resid 49 and name HE* ) 1.8 0.0 3.13 assign (resid 49 and name HB* )(resid 49 and name HD* ) 1.8 0.0 1.82 assign (resid 49 and name HB* )(resid 49 and name HE* ) 1.8 0.0 2.81 assign (resid 49 and name HG* )(resid 49 and name HE* ) 1.8 0.0 1.87 assign (resid 49 and name HN )(resid 49 and name HD1 ) 1.8 0.0 3.77 assign (resid 49 and name HN )(resid 49 and name HD* ) 1.8 0.0 3.03 assign (resid 49 and name HN )(resid 49 and name HD2 ) 1.8 0.0 3.77 assign (resid 49 and name HN )(resid 49 and name HG1 ) 1.8 0.0 3.51 assign (resid 49 and name HN )(resid 49 and name HG2 ) 1.8 0.0 3.51 assign (resid 50 and name HA )(resid 50 and name HD* ) 1.8 0.0 3.21 assign (resid 50 and name HN )(resid 50 and name HD* ) 1.8 0.0 2.12 assign (resid 50 and name HN )(resid 50 and name HE* ) 1.8 0.0 3.42 assign (resid 51 and name HA )(resid 51 and name HG2* ) 1.8 0.0 2.14 assign (resid 51 and name HN )(resid 51 and name HB ) 1.8 0.0 2.22 assign (resid 51 and name HN )(resid 51 and name HG2* ) 1.8 0.0 2.93 assign (resid 52 and name HA )(resid 52 and name HD1* ) 1.8 0.0 3.5 assign (resid 52 and name HA )(resid 52 and name HG2* ) 1.8 0.0 1.49 assign (resid 52 and name HG2* )(resid 52 and name HG11 ) 1.8 0.0 2.52 assign (resid 52 and name HG2* )(resid 52 and name HG12 ) 1.8 0.0 2.69 assign (resid 52 and name HN )(resid 52 and name HB ) 1.8 0.0 2.04 assign (resid 52 and name HN )(resid 52 and name HD1* ) 1.8 0.0 2.85 assign (resid 52 and name HN )(resid 52 and name HG12 ) 1.8 0.0 2.56 assign (resid 53 and name HA )(resid 53 and name HE3 ) 1.8 0.0 2.81 assign (resid 53 and name HB1 )(resid 53 and name HE3 ) 1.8 0.0 2.75 assign (resid 53 and name HB2 )(resid 53 and name HD1 ) 1.8 0.0 2.31 assign (resid 53 and name HB2 )(resid 53 and name HE1 ) 1.8 0.0 3.57 assign (resid 53 and name HN )(resid 53 and name HB1 ) 1.8 0.0 2.45 assign (resid 53 and name HN )(resid 53 and name HB2 ) 1.8 0.0 2.12 assign (resid 53 and name HN )(resid 53 and name HD1 ) 1.8 0.0 2.46 assign (resid 53 and name HN )(resid 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(resid 55 and name HA )(resid 55 and name HD2* ) 1.8 0.0 3.11 assign (resid 55 and name HB* )(resid 55 and name HD2* ) 1.8 0.0 1.68 assign (resid 55 and name HN )(resid 55 and name HD21 ) 1.8 0.0 3.93 assign (resid 55 and name HN )(resid 55 and name HD2* ) 1.8 0.0 3.18 assign (resid 56 and name HN )(resid 56 and name HB* ) 1.8 0.0 1.21 assign (resid 57 and name HA )(resid 57 and name HG* ) 1.8 0.0 1.52 assign (resid 57 and name HN )(resid 57 and name HA ) 1.8 0.0 1.13 assign (resid 57 and name HN )(resid 57 and name HG* ) 1.8 0.0 1.58 assign (resid 58 and name HA )(resid 58 and name HD1* ) 1.8 0.0 2.6 assign (resid 58 and name HA )(resid 58 and name HD2* ) 1.8 0.0 1.43 assign (resid 58 and name HB* )(resid 58 and name HD1* ) 1.8 0.0 1.42 assign (resid 58 and name HB* )(resid 58 and name HD2* ) 1.8 0.0 1.4 assign (resid 58 and name HN )(resid 58 and name HB* ) 1.8 0.0 1.2 assign (resid 58 and name HN )(resid 58 and name HD1* ) 1.8 0.0 2.75 assign (resid 58 and name HN )(resid 58 and name HD2* ) 1.8 0.0 3.16 assign (resid 58 and name HN )(resid 58 and name HG ) 1.8 0.0 2.46 assign (resid 60 and name HA )(resid 60 and name HD1* ) 1.8 0.0 2.55 assign (resid 60 and name HA )(resid 60 and name HD2* ) 1.8 0.0 1.4 assign (resid 60 and name HB1 )(resid 60 and name HD1* ) 1.8 0.0 2.17 assign (resid 60 and name HB1 )(resid 60 and name HD2* ) 1.8 0.0 1.95 assign (resid 60 and name HB2 )(resid 60 and name HD1* ) 1.8 0.0 1.79 assign (resid 60 and name HB2 )(resid 60 and name HD2* ) 1.8 0.0 2.12 assign (resid 60 and name HN )(resid 60 and name HB1 ) 1.8 0.0 2.24 assign (resid 60 and name HN )(resid 60 and name HD1* ) 1.8 0.0 2.52 assign (resid 60 and name HN )(resid 60 and name HD2* ) 1.8 0.0 1.83 assign (resid 60 and name HN )(resid 60 and name HG ) 1.8 0.0 1.23 assign (resid 61 and name HA )(resid 61 and name HD1* ) 1.8 0.0 1.73 assign (resid 61 and name HA )(resid 61 and name HD2* ) 1.8 0.0 2.84 assign (resid 61 and name HA )(resid 61 and name HG ) 1.8 0.0 2.25 assign (resid 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name HB2 )(resid 68 and name HD2* ) 1.8 0.0 1.85 assign (resid 68 and name HN )(resid 68 and name HB1 ) 1.8 0.0 1.94 assign (resid 68 and name HN )(resid 68 and name HB2 ) 1.8 0.0 1.98 assign (resid 68 and name HN )(resid 68 and name HD2* ) 1.8 0.0 3.09 assign (resid 69 and name HA )(resid 69 and name HD1* ) 1.8 0.0 2.64 assign (resid 69 and name HA )(resid 69 and name HD2* ) 1.8 0.0 2.09 assign (resid 69 and name HA )(resid 69 and name HG ) 1.8 0.0 2.35 assign (resid 69 and name HB1 )(resid 69 and name HD1* ) 1.8 0.0 1.9 assign (resid 69 and name HB1 )(resid 69 and name HD2* ) 1.8 0.0 2.27 assign (resid 69 and name HB2 )(resid 69 and name HD1* ) 1.8 0.0 1.65 assign (resid 69 and name HB2 )(resid 69 and name HD2* ) 1.8 0.0 1.96 assign (resid 69 and name HN )(resid 69 and name HB1 ) 1.8 0.0 2.25 assign (resid 69 and name HN )(resid 69 and name HD1* ) 1.8 0.0 1.96 assign (resid 69 and name HN )(resid 69 and name HD2* ) 1.8 0.0 3.02 assign (resid 69 and name HN )(resid 69 and name HG ) 1.8 0.0 2.16 assign (resid 70 and name HA )(resid 70 and name HD1 ) 1.8 0.0 3.67 assign (resid 70 and name HA )(resid 70 and name HD* ) 1.8 0.0 2.85 assign (resid 70 and name HA )(resid 70 and name HD2 ) 1.8 0.0 3.67 assign (resid 70 and name HA )(resid 70 and name HG2 ) 1.8 0.0 2.55 assign (resid 70 and name HB* )(resid 70 and name HD1 ) 1.8 0.0 2.07 assign (resid 70 and name HB* )(resid 70 and name HD2 ) 1.8 0.0 2.07 assign (resid 70 and name HB* )(resid 70 and name HE ) 1.8 0.0 2.95 assign (resid 70 and name HN )(resid 70 and name HB* ) 1.8 0.0 1.84 assign (resid 70 and name HN )(resid 70 and name HD* ) 1.8 0.0 3.59 assign (resid 70 and name HN )(resid 70 and name HG1 ) 1.8 0.0 2.46 assign (resid 70 and name HN )(resid 70 and name HG2 ) 1.8 0.0 2.75 assign (resid 72 and name HA )(resid 72 and name HG1* ) 1.8 0.0 1.92 assign (resid 72 and name HA )(resid 72 and name HG2* ) 1.8 0.0 2.37 assign (resid 72 and name HN )(resid 72 and name HG1* ) 1.8 0.0 1.82 assign (resid 72 and name HN 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assign (resid 80 and name HB1 )(resid 80 and name HD* ) 1.8 0.0 2.55 assign (resid 80 and name HB2 )(resid 80 and name HD* ) 1.8 0.0 2.55 assign (resid 80 and name HN )(resid 80 and name HG* ) 1.8 0.0 3.01 assign (resid 81 and name HA )(resid 81 and name HD* ) 1.8 0.0 2.3 assign (resid 81 and name HN )(resid 81 and name HD* ) 1.8 0.0 2.61 assign (resid 82 and name HA )(resid 82 and name HE21 ) 1.8 0.0 3.96 assign (resid 82 and name HB* )(resid 82 and name HE21 ) 1.8 0.0 2.93 assign (resid 82 and name HB* )(resid 82 and name HE22 ) 1.8 0.0 2.43 assign (resid 82 and name HN )(resid 82 and name HG* ) 1.8 0.0 2.43 assign (resid 83 and name HA )(resid 83 and name HG1* ) 1.8 0.0 2.07 assign (resid 83 and name HA )(resid 83 and name HG2* ) 1.8 0.0 2.42 assign (resid 83 and name HN )(resid 83 and name HG2* ) 1.8 0.0 2.96 assign (resid 84 and name HA )(resid 84 and name HG2 ) 1.8 0.0 2.62 assign (resid 84 and name HB1 )(resid 84 and name HE21 ) 1.8 0.0 2.72 assign (resid 84 and name HB2 )(resid 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(resid 87 and name HG* )(resid 87 and name HN ) 1.8 0.0 2.46 assign (resid 87 and name HN )(resid 87 and name HB* ) 1.8 0.0 2.07 assign (resid 88 and name HA )(resid 88 and name HD21 ) 1.8 0.0 2.62 assign (resid 88 and name HA )(resid 88 and name HD22 ) 1.8 0.0 3.06 assign (resid 88 and name HN )(resid 88 and name HB1 ) 1.8 0.0 2.15 assign (resid 88 and name HN )(resid 88 and name HB2 ) 1.8 0.0 2.4 assign (resid 88 and name HN )(resid 88 and name HD21 ) 1.8 0.0 3.69 assign (resid 89 and name HN )(resid 89 and name HB* ) 1.8 0.0 1.63 assign (resid 90 and name HN )(resid 90 and name HB* ) 1.8 0.0 1.89 assign (resid 91 and name HA )(resid 91 and name HD1* ) 1.8 0.0 2.55 assign (resid 91 and name HA )(resid 91 and name HG11 ) 1.8 0.0 2.51 assign (resid 91 and name HA )(resid 91 and name HG12 ) 1.8 0.0 2.49 assign (resid 91 and name HA )(resid 91 and name HG2* ) 1.8 0.0 1.96 assign (resid 91 and name HB )(resid 91 and name HD1* ) 1.8 0.0 1.98 assign (resid 91 and name HG2* )(resid 91 and name HG11 ) 1.8 0.0 2.07 assign (resid 91 and name HG2* )(resid 91 and name HG12 ) 1.8 0.0 1.89 assign (resid 91 and name HN )(resid 91 and name HB ) 1.8 0.0 1.69 assign (resid 91 and name HN )(resid 91 and name HD1* ) 1.8 0.0 3.45 assign (resid 91 and name HN )(resid 91 and name HG11 ) 1.8 0.0 2.19 assign (resid 91 and name HN )(resid 91 and name HG12 ) 1.8 0.0 3.06 assign (resid 91 and name HN )(resid 91 and name HG2* ) 1.8 0.0 2.92 assign (resid 92 and name HA )(resid 92 and name HG* ) 1.8 0.0 1.98 assign (resid 92 and name HB2 )(resid 92 and name HG* ) 1.8 0.0 1.31 assign (resid 92 and name HN )(resid 92 and name HG* ) 1.8 0.0 2.31 assign (resid 93 and name HA )(resid 93 and name HD* ) 1.8 0.0 2.95 assign (resid 93 and name HA )(resid 93 and name HG1 ) 1.8 0.0 2.6 assign (resid 93 and name HA )(resid 93 and name HG2 ) 1.8 0.0 2.6 assign (resid 93 and name HN )(resid 93 and name HB* ) 1.8 0.0 1.38 assign (resid 93 and name HN )(resid 93 and name HG1 ) 1.8 0.0 3.33 assign (resid 93 and name HN )(resid 93 and name HG* ) 1.8 0.0 2.69 assign (resid 93 and name HN )(resid 93 and name HG2 ) 1.8 0.0 3.33 assign (resid 94 and name HA )(resid 94 and name HD* ) 1.8 0.0 1.64 assign (resid 94 and name HN )(resid 94 and name HB1 ) 1.8 0.0 2.35 assign (resid 94 and name HN )(resid 94 and name HB2 ) 1.8 0.0 1.63 assign (resid 94 and name HN )(resid 94 and name HD1* ) 1.8 0.0 3.12 assign (resid 94 and name HN )(resid 94 and name HD* ) 1.8 0.0 2.39 assign (resid 94 and name HN )(resid 94 and name HD2* ) 1.8 0.0 3.12 assign (resid 96 and name HN )(resid 96 and name HB* ) 1.8 0.0 1.29 assign (resid 98 and name HA )(resid 98 and name HD1* ) 1.8 0.0 2.08 assign (resid 98 and name HG2* )(resid 98 and name HD1* ) 1.8 0.0 1.15 assign (resid 98 and name HG2* )(resid 98 and name HG1* ) 1.8 0.0 1.89 assign (resid 98 and name HN )(resid 98 and name HB ) 1.8 0.0 2.43 assign (resid 98 and name HN )(resid 98 and name HD1* ) 1.8 0.0 2.27 assign (resid 98 and name HN )(resid 98 and name HG1* ) 1.8 0.0 1.94 assign (resid 98 and name HN )(resid 98 and name HG2* ) 1.8 0.0 2.23 assign (resid 99 and name HA )(resid 99 and name HG* ) 1.8 0.0 2.14 assign (resid 99 and name HN )(resid 99 and name HB* ) 1.8 0.0 1.76 assign (resid 99 and name HN )(resid 99 and name HG* ) 1.8 0.0 3.6 assign (resid 100 and name HA )(resid 100 and name HG1* ) 1.8 0.0 1.82 assign (resid 100 and name HA )(resid 100 and name HG2* ) 1.8 0.0 1.94 assign (resid 100 and name HN )(resid 100 and name HB ) 1.8 0.0 2.29 assign (resid 100 and name HN )(resid 100 and name HG1* ) 1.8 0.0 2.64 assign (resid 100 and name HN )(resid 100 and name HG2* ) 1.8 0.0 1.65 assign (resid 102 and name HA )(resid 102 and name HD1* ) 1.8 0.0 2.04 assign (resid 102 and name HA )(resid 102 and name HD2* ) 1.8 0.0 2.2 assign (resid 102 and name HB* )(resid 102 and name HD1* ) 1.8 0.0 1.36 assign (resid 102 and name HB* )(resid 102 and name HD2* ) 1.8 0.0 1.37 assign (resid 102 and name HN )(resid 102 and name HB* ) 1.8 0.0 1.62 assign (resid 102 and name HN )(resid 102 and name HD1* ) 1.8 0.0 2.68 assign (resid 102 and name HN )(resid 102 and name HD2* ) 1.8 0.0 2.91 assign (resid 103 and name HA )(resid 103 and name HG1 ) 1.8 0.0 2.51 assign (resid 103 and name HA )(resid 103 and name HG2 ) 1.8 0.0 2.51 assign (resid 103 and name HN )(resid 103 and name HB* ) 1.8 0.0 1.63 assign (resid 103 and name HN )(resid 103 and name HG1 ) 1.8 0.0 3.74 assign (resid 103 and name HN )(resid 103 and name HG* ) 1.8 0.0 2.96 assign (resid 103 and name HN )(resid 103 and name HG2 ) 1.8 0.0 3.74 assign (resid 105 and name HN )(resid 105 and name HB* ) 1.8 0.0 1.84 remarks other sequential assign (resid 87 and name HB* )(resid 88 and name HB2 ) 1.8 0.0 3.44 assign (resid 87 and name HG* )(resid 88 and name HB1 ) 1.8 0.0 3.50
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