NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
1311 |
1ah1   |
cing | 1-original | 3 | XPLOR/CNS | distance | NOE | simple |
! NOE restraints for CTLA4ex structure calculations in XPLOR assign (resid 2 and name HB* ) (resid 24 and name HB* ) 2.3 0.5 1.1 assign (resid 3 and name HA ) (resid 3 and name HG* ) 2.0 0.2 1.0 assign (resid 3 and name HB ) (resid 3 and name HG* ) 2.1 0.3 1.0 assign (resid 3 and name HA ) (resid 23 and name HA ) 2.4 0.6 0.6 assign (resid 3 and name HG* ) (resid 23 and name HA ) 3.7 1.8 1.4 assign (resid 3 and name HG* ) (resid 23 and name HB* ) 2.6 0.8 1.1 assign (resid 3 and name HG* ) (resid 108 and name HA* ) 2.4 0.6 1.1 assign (resid 4 and name HB* ) (resid 22 and name HB* ) 2.5 0.7 1.1 assign (resid 4 and name HB* ) (resid 22 and name HG* ) 2.5 0.7 1.1 assign (resid 5 and name HA ) (resid 5 and name HG* ) 2.3 0.5 0.5 assign (resid 5 and name HA ) (resid 6 and name HD1 ) 2.3 0.5 0.6 assign (resid 5 and name HA ) (resid 6 and name HD2 ) 2.3 0.5 0.6 assign (resid 6 and name HA ) (resid 6 and name HB* ) 2.1 0.3 0.5 assign (resid 6 and name HB* ) (resid 6 and name HG* ) 2.5 0.7 0.6 assign (resid 6 and name HG* ) (resid 6 and name HD* ) 2.8 1.0 0.6 assign (resid 6 and name HG* ) (resid 113 and name HG2*) 2.6 0.8 1.1 assign (resid 7 and name HB* ) (resid 8 and name HB ) 3.0 1.2 1.3 assign (resid 7 and name HA ) (resid 113 and name HA ) 2.4 0.6 0.6 assign (resid 7 and name HA ) (resid 113 and name HG2*) 3.7 1.9 1.4 assign (resid 8 and name HA ) (resid 8 and name HB ) 2.5 0.7 0.6 assign (resid 8 and name HA ) (resid 8 and name HG* ) 2.0 0.2 1.0 assign (resid 8 and name HG* ) (resid 9 and name HA ) 2.4 0.6 1.1 assign (resid 8 and name HA ) (resid 113 and name HG2*) 2.9 1.1 1.2 assign (resid 8 and name HA ) (resid 114 and name HB* ) 2.8 1.0 0.8 assign (resid 8 and name HG1*) (resid 116 and name HD* ) 2.3 0.3 1.1 assign (resid 8 and name HG1*) (resid 116 and name HE* ) 2.1 0.3 1.0 assign (resid 8 and name HG2*) (resid 116 and name HD* ) 2.3 0.3 1.1 assign (resid 8 and name HG2*) (resid 116 and name HE* ) 2.1 0.3 1.0 assign (resid 9 and name HA ) (resid 9 and name HB ) 2.2 0.4 0.5 assign (resid 9 and name HA ) (resid 9 and name HG* ) 2.2 0.4 1.0 assign (resid 9 and name HG* ) (resid 19 and name HA ) 2.7 0.9 1.2 assign (resid 9 and name HG* ) (resid 19 and name HB1 ) 2.9 1.1 1.2 assign (resid 9 and name HG* ) (resid 19 and name HB2 ) 2.9 1.1 1.2 assign (resid 9 and name HG* ) (resid 19 and name HD* ) 2.3 0.5 1.1 assign (resid 9 and name HB ) (resid 113 and name HG2*) 2.2 0.4 1.1 assign (resid 9 and name HG* ) (resid 113 and name HB ) 2.9 1.1 1.2 assign (resid 9 and name HG* ) (resid 113 and name HG2*) 1.8 0.0 1.1 assign (resid 9 and name HG* ) (resid 115 and name HA ) 2.4 0.6 1.2 assign (resid 9 and name HG* ) (resid 115 and name HG1*) 2.1 0.3 1.0 assign (resid 9 and name HG* ) (resid 115 and name HG2*) 2.1 0.3 1.0 assign (resid 9 and name HG* ) (resid 115 and name HD1*) 2.7 0.9 1.1 assign (resid 10 and name HA ) (resid 10 and name HB* ) 1.9 0.1 0.5 assign (resid 10 and name HA ) (resid 10 and name HG ) 2.9 1.1 0.7 assign (resid 10 and name HA ) (resid 10 and name HD* ) 2.1 0.3 1.0 assign (resid 10 and name HB* ) (resid 10 and name HD* ) 1.9 0.1 1.0 assign (resid 10 and name HB* ) (resid 116 and name HD* ) 3.2 1.4 1.8 assign (resid 10 and name HD* ) (resid 116 and name HB1 ) 2.4 0.6 1.1 assign (resid 10 and name HD* ) (resid 116 and name HB2 ) 2.4 0.6 1.1 assign (resid 10 and name HD* ) (resid 116 and name HD* ) 2.5 0.7 1.2 assign (resid 10 and name HD* ) (resid 116 and name HE* ) 2.9 1.1 1.2 assign (resid 11 and name HB* ) (resid 15 and name HA2 ) 2.2 0.4 1.0 assign (resid 11 and name HA ) (resid 17 and name HA ) 2.7 0.9 0.7 assign (resid 11 and name HA ) (resid 17 and name HB* ) 2.5 0.7 1.1 assign (resid 11 and name HB* ) (resid 17 and name HB* ) 2.2 0.4 1.0 assign (resid 11 and name HB* ) (resid 84 and name HD* ) 2.4 0.6 1.1 assign (resid 11 and name HB* ) (resid 115 and name HG2*) 2.3 0.5 1.1 assign (resid 11 and name HB* ) (resid 115 and name HD1*) 3.1 1.3 1.3 assign (resid 12 and name HA ) (resid 12 and name HB* ) 2.0 0.2 0.5 assign (resid 14 and name HA ) (resid 14 and name HB* ) 2.1 0.3 0.5 assign (resid 14 and name HA ) (resid 14 and name HG* ) 2.4 0.6 0.6 assign (resid 14 and name HA ) (resid 14 and name HD* ) 2.5 0.7 0.6 assign (resid 14 and name HB* ) (resid 14 and name HG* ) 1.9 0.1 0.5 assign (resid 14 and name HB* ) (resid 14 and name HD* ) 2.2 0.4 0.6 assign (resid 14 and name HG* ) (resid 14 and name HD* ) 2.1 0.3 0.5 assign (resid 14 and name HA ) (resid 16 and name HD1*) 2.9 1.1 0.8 assign (resid 14 and name HD* ) (resid 16 and name HD1*) 2.7 0.9 0.7 assign (resid 16 and name HA ) (resid 16 and name HB ) 2.9 1.1 0.7 assign (resid 16 and name HA ) (resid 16 and name HG1*) 2.4 0.6 1.1 assign (resid 16 and name HA ) (resid 16 and name HG2*) 2.1 0.3 1.0 assign (resid 16 and name HA ) (resid 16 and name HD1*) 2.1 0.3 1.0 assign (resid 16 and name HB ) (resid 16 and name HG1*) 2.5 0.7 1.1 assign (resid 16 and name HB ) (resid 16 and name HD1*) 2.2 0.4 1.1 assign (resid 16 and name HG2*) (resid 80 and name HA ) 3.6 1.8 1.4 assign (resid 16 and name HG2*) (resid 82 and name HG* ) 2.6 0.8 1.1 assign (resid 16 and name HG1*) (resid 82 and name HA ) 3.0 1.2 1.3 assign (resid 16 and name HD1*) (resid 82 and name HB* ) 2.2 0.4 1.1 assign (resid 16 and name HG1*) (resid 82 and name HG* ) 2.7 0.9 1.2 assign (resid 16 and name HD1*) (resid 82 and name HG* ) 2.1 0.3 1.0 assign (resid 17 and name HB* ) (resid 81 and name HB ) 2.6 0.8 1.1 assign (resid 17 and name HB* ) (resid 81 and name HD1*) 2.4 0.6 1.1 assign (resid 17 and name HB* ) (resid 115 and name HG1*) 1.9 0.1 1.0 assign (resid 17 and name HB* ) (resid 115 and name HG2*) 2.2 0.4 1.0 assign (resid 17 and name HB* ) (resid 115 and name HD1*) 2.1 0.3 1.0 assign (resid 18 and name HA ) (resid 18 and name HB* ) 2.8 1.0 0.7 assign (resid 18 and name HA ) (resid 80 and name HA ) 2.1 0.3 0.6 assign (resid 18 and name HB* ) (resid 80 and name HA ) 2.8 1.0 0.7 assign (resid 18 and name HG2*) (resid 80 and name HA ) 3.4 1.6 0.9 assign (resid 19 and name HA ) (resid 19 and name HB* ) 2.2 0.4 0.6 assign (resid 19 and name HB* ) (resid 19 and name HD* ) 2.1 0.3 0.5 assign (resid 19 and name HD* ) (resid 21 and name HB* ) 3.2 1.4 0.8 assign (resid 19 and name HE* ) (resid 21 and name HB* ) 3.2 1.4 0.8 assign (resid 19 and name HZ ) (resid 36 and name HG* ) 3.2 1.2 1.3 assign (resid 19 and name HE* ) (resid 79 and name HD* ) 2.5 0.7 1.1 assign (resid 19 and name HZ ) (resid 79 and name HD* ) 3.0 1.2 1.2 assign (resid 19 and name HD* ) (resid 113 and name HG2*) 3.7 1.9 1.4 assign (resid 19 and name HB* ) (resid 113 and name HG2*) 3.7 1.9 1.4 assign (resid 19 and name HE* ) (resid 115 and name HD1*) 3.7 1.9 1.4 assign (resid 19 and name HZ ) (resid 115 and name HD1*) 2.8 1.0 1.2 assign (resid 20 and name HA ) (resid 20 and name HB ) 2.3 0.5 0.6 assign (resid 20 and name HA ) (resid 20 and name HG* ) 2.1 0.3 1.1 assign (resid 20 and name HB ) (resid 20 and name HG* ) 1.8 0.0 1.1 assign (resid 20 and name HG1*) (resid 76 and name HA ) 3.0 1.2 1.3 assign (resid 20 and name HG1*) (resid 76 and name HB* ) 2.6 0.8 1.2 assign (resid 20 and name HG1*) (resid 76 and name HG* ) 2.4 0.6 1.1 assign (resid 20 and name HG2*) (resid 78 and name HA ) 2.6 0.8 1.1 assign (resid 20 and name HG2*) (resid 78 and name HB* ) 2.9 1.1 1.2 assign (resid 21 and name HB* ) (resid 77 and name HG* ) 2.8 1.0 1.2 assign (resid 22 and name HA ) (resid 22 and name HB* ) 2.6 0.8 0.6 assign (resid 22 and name HA ) (resid 22 and name HG* ) 2.5 0.7 0.6 assign (resid 22 and name HA ) (resid 76 and name HA ) 2.1 0.3 0.5 assign (resid 22 and name HB* ) (resid 76 and name HA ) 2.4 0.6 0.6 assign (resid 23 and name HA ) (resid 23 and name HB1 ) 2.6 0.8 0.6 assign (resid 23 and name HA ) (resid 23 and name HB2 ) 2.6 0.8 0.6 assign (resid 23 and name HB* ) (resid 23 and name HD* ) 2.6 0.8 0.6 assign (resid 23 and name HD* ) (resid 25 and name HB* ) 2.9 1.1 0.8 assign (resid 23 and name HE* ) (resid 25 and name HB* ) 3.0 1.2 0.8 assign (resid 23 and name HD* ) (resid 32 and name HG* ) 2.7 0.9 1.2 assign (resid 23 and name HE* ) (resid 75 and name HA ) 3.2 1.4 1.8 assign (resid 23 and name HB* ) (resid 77 and name HG* ) 2.5 0.7 1.2 assign (resid 23 and name HD* ) (resid 77 and name HG1*) 2.4 0.6 1.2 assign (resid 23 and name HE* ) (resid 77 and name HG* ) 2.5 0.7 1.1 assign (resid 23 and name HB* ) (resid 96 and name HG* ) 2.5 0.7 1.1 assign (resid 23 and name HD* ) (resid 96 and name HG1*) 2.5 0.7 1.1 assign (resid 23 and name HD* ) (resid 96 and name HG2*) 2.5 0.7 1.1 assign (resid 23 and name HE* ) (resid 98 and name HD* ) 2.6 0.8 1.2 assign (resid 25 and name HA ) (resid 25 and name HB* ) 2.3 0.5 0.6 assign (resid 25 and name HA ) (resid 26 and name HD* ) 2.2 0.4 0.5 assign (resid 25 and name HB* ) (resid 26 and name HD* ) 2.4 0.6 0.5 assign (resid 26 and name HA ) (resid 26 and name HB* ) 1.9 0.1 0.5 assign (resid 26 and name HB* ) (resid 26 and name HG* ) 2.0 0.2 0.5 assign (resid 26 and name HG* ) (resid 26 and name HD* ) 2.5 0.7 0.6 assign (resid 28 and name HA ) (resid 28 and name HB* ) 2.1 0.3 0.5 assign (resid 28 and name HA ) (resid 28 and name HG* ) 2.5 0.7 0.6 assign (resid 28 and name HB* ) (resid 28 and name HG* ) 1.9 0.1 0.5 assign (resid 28 and name HG* ) (resid 28 and name HE* ) 2.8 1.0 0.6 assign (resid 29 and name HB* ) (resid 32 and name HG* ) 2.3 0.5 1.1 assign (resid 29 and name HB* ) (resid 98 and name HB* ) 3.0 1.2 1.4 assign (resid 29 and name HB* ) (resid 98 and name HD* ) 2.4 0.6 1.1 assign (resid 30 and name HA ) (resid 30 and name HB ) 2.0 0.2 0.5 assign (resid 30 and name HA ) (resid 30 and name HG2*) 2.1 0.3 1.0 assign (resid 30 and name HG2*) (resid 31 and name HG2*) 3.0 1.2 1.3 assign (resid 30 and name HG2*) (resid 53 and name HB* ) 3.2 1.4 1.3 assign (resid 30 and name HG2*) (resid 53 and name HE* ) 2.5 0.7 1.1 assign (resid 31 and name HA ) (resid 31 and name HB* ) 2.4 0.6 0.6 assign (resid 31 and name HA ) (resid 31 and name HG* ) 2.9 1.1 0.7 assign (resid 31 and name HB* ) (resid 51 and name HG2*) 2.5 0.7 1.1 assign (resid 31 and name HG* ) (resid 51 and name HG2*) 2.8 1.0 1.2 assign (resid 31 and name HA ) (resid 53 and name HA ) 2.4 0.6 0.7 assign (resid 32 and name HA ) (resid 32 and name HG* ) 2.1 0.3 1.0 assign (resid 32 and name HB ) (resid 32 and name HG* ) 2.4 0.6 1.0 assign (resid 32 and name HG* ) (resid 34 and name HG* ) 1.9 0.1 1.0 assign (resid 32 and name HG* ) (resid 77 and name HG* ) 2.1 0.3 1.1 assign (resid 32 and name HG* ) (resid 96 and name HG* ) 1.9 0.1 1.0 assign (resid 32 and name HA ) (resid 98 and name HA ) 2.3 0.5 0.6 assign (resid 32 and name HG* ) (resid 98 and name HA ) 2.6 0.8 1.2 assign (resid 33 and name HA ) (resid 33 and name HG* ) 2.6 0.8 0.6 assign (resid 33 and name HB* ) (resid 33 and name HD* ) 2.5 0.7 0.6 assign (resid 33 and name HA ) (resid 51 and name HA ) 2.1 0.3 0.5 assign (resid 33 and name HA ) (resid 51 and name HG2*) 2.5 0.7 1.1 assign (resid 33 and name HG* ) (resid 51 and name HG2*) 2.9 1.1 1.2 assign (resid 33 and name HD* ) (resid 51 and name HG2*) 3.1 1.3 1.3 assign (resid 33 and name HG* ) (resid 99 and name HE* ) 2.8 1.0 1.3 assign (resid 33 and name HD* ) (resid 99 and name HE* ) 2.8 1.0 1.3 assign (resid 33 and name HB* ) (resid 100 and name HD* ) 2.5 0.7 0.7 assign (resid 34 and name HA ) (resid 34 and name HB ) 2.7 0.9 0.7 assign (resid 34 and name HA ) (resid 34 and name HG* ) 2.2 0.4 1.0 assign (resid 34 and name HB ) (resid 34 and name HG* ) 1.9 0.1 1.0 assign (resid 34 and name HG* ) (resid 52 and name HD* ) 2.5 0.7 1.1 assign (resid 34 and name HG* ) (resid 60 and name HE* ) 2.8 1.0 1.3 assign (resid 34 and name HG* ) (resid 72 and name HB* ) 2.6 0.8 1.1 assign (resid 34 and name HG* ) (resid 77 and name HB ) 2.3 0.5 1.1 assign (resid 34 and name HG* ) (resid 79 and name HD* ) 1.8 0.0 1.1 assign (resid 34 and name HA ) (resid 96 and name HA ) 2.1 0.3 0.5 assign (resid 34 and name HA ) (resid 96 and name HG* ) 2.7 0.9 1.2 assign (resid 34 and name HG* ) (resid 96 and name HA ) 2.7 0.9 1.1 assign (resid 34 and name HG* ) (resid 96 and name HG* ) 2.5 0.7 1.1 assign (resid 35 and name HA ) (resid 35 and name HB ) 2.9 1.1 0.7 assign (resid 35 and name HA ) (resid 35 and name HG2*) 2.2 0.4 1.1 assign (resid 35 and name HB ) (resid 37 and name HD1*) 2.7 0.9 1.2 assign (resid 35 and name HG2*) (resid 37 and name HG ) 2.7 0.9 1.2 assign (resid 35 and name HG2*) (resid 37 and name HD1*) 2.1 0.3 1.0 assign (resid 35 and name HG2*) (resid 46 and name HB* ) 2.8 1.0 1.2 assign (resid 35 and name HG2*) (resid 46 and name HG* ) 2.3 0.5 1.1 assign (resid 35 and name HA ) (resid 49 and name HA ) 2.0 0.2 0.5 assign (resid 35 and name HA ) (resid 49 and name HB* ) 2.3 0.5 0.6 assign (resid 35 and name HG2*) (resid 49 and name HA ) 3.1 1.3 1.3 assign (resid 35 and name HG2*) (resid 49 and name HB* ) 2.4 0.6 1.1 assign (resid 35 and name HB ) (resid 95 and name HB* ) 2.8 1.0 0.6 assign (resid 35 and name HB ) (resid 95 and name HD* ) 2.2 0.4 0.6 assign (resid 36 and name HA ) (resid 36 and name HB ) 3.2 1.4 0.8 assign (resid 36 and name HA ) (resid 36 and name HG* ) 2.0 0.2 1.0 assign (resid 36 and name HB ) (resid 36 and name HG* ) 2.1 0.3 1.0 assign (resid 36 and name HA ) (resid 37 and name HD* ) 3.2 1.4 1.3 assign (resid 36 and name HG* ) (resid 79 and name HG* ) 2.4 0.6 1.1 assign (resid 36 and name HG* ) (resid 92 and name HB* ) 3.0 1.2 1.3 assign (resid 36 and name HG* ) (resid 92 and name HD* ) 2.5 0.7 1.2 assign (resid 36 and name HG* ) (resid 92 and name HE* ) 2.9 1.1 1.2 assign (resid 36 and name HA ) (resid 94 and name HA ) 2.6 0.8 0.7 assign (resid 36 and name HG* ) (resid 94 and name HA ) 3.2 1.4 1.3 assign (resid 37 and name HA ) (resid 37 and name HB* ) 2.3 0.5 0.6 assign (resid 37 and name HA ) (resid 37 and name HG ) 2.9 1.1 0.7 assign (resid 37 and name HA ) (resid 37 and name HD2*) 2.1 0.3 1.0 assign (resid 37 and name HB* ) (resid 37 and name HD* ) 1.9 0.1 1.0 assign (resid 37 and name HA ) (resid 46 and name HA ) 2.3 0.5 0.6 assign (resid 37 and name HD2*) (resid 46 and name HA ) 1.9 0.1 1.0 assign (resid 37 and name HD2*) (resid 46 and name HG1 ) 2.3 0.5 1.1 assign (resid 37 and name HD2*) (resid 46 and name HG2 ) 2.3 0.5 1.1 assign (resid 37 and name HA ) (resid 47 and name HG1*) 3.4 1.6 1.3 assign (resid 37 and name HD1*) (resid 93 and name HG1*) 2.5 0.7 1.1 assign (resid 37 and name HD1*) (resid 95 and name HB* ) 3.4 1.6 1.3 assign (resid 38 and name HA ) (resid 92 and name HA ) 2.6 0.8 0.6 assign (resid 38 and name HD* ) (resid 92 and name HE* ) 3.2 1.4 0.8 assign (resid 39 and name HA ) (resid 39 and name HB* ) 2.4 0.6 0.6 assign (resid 39 and name HA ) (resid 44 and name HG* ) 2.6 0.8 1.2 assign (resid 39 and name HB1 ) (resid 44 and name HG* ) 2.7 0.9 1.2 assign (resid 39 and name HB2 ) (resid 44 and name HG* ) 2.7 0.9 1.2 assign (resid 39 and name HB* ) (resid 91 and name HD* ) 2.6 0.8 1.2 assign (resid 39 and name HB* ) (resid 93 and name HD1*) 2.3 0.5 1.1 assign (resid 41 and name HA ) (resid 41 and name HB1 ) 2.3 0.5 0.5 assign (resid 41 and name HA ) (resid 41 and name HB2 ) 2.3 0.5 0.5 assign (resid 42 and name HA ) (resid 42 and name HB* ) 2.3 0.5 0.5 assign (resid 43 and name HA ) (resid 43 and name HB* ) 2.2 0.4 0.5 assign (resid 43 and name HA ) (resid 43 and name HG* ) 2.6 0.8 0.6 assign (resid 43 and name HB* ) (resid 43 and name HG* ) 2.2 0.4 0.5 assign (resid 44 and name HA ) (resid 44 and name HB ) 2.7 0.9 0.6 assign (resid 44 and name HA ) (resid 44 and name HG* ) 2.1 0.3 1.0 assign (resid 44 and name HB ) (resid 44 and name HG* ) 1.6 0.2 1.3 assign (resid 45 and name HA ) (resid 45 and name HB ) 2.1 0.3 0.5 assign (resid 45 and name HA ) (resid 45 and name HG2*) 2.0 0.2 1.0 assign (resid 46 and name HA ) (resid 46 and name HG* ) 2.8 1.0 0.7 assign (resid 47 and name HA ) (resid 47 and name HB ) 2.8 1.0 0.7 assign (resid 47 and name HA ) (resid 47 and name HG* ) 2.0 0.2 1.0 assign (resid 47 and name HB ) (resid 47 and name HG* ) 1.9 0.1 1.0 assign (resid 47 and name HG* ) (resid 48 and name HB* ) 2.8 1.0 1.2 assign (resid 47 and name HG* ) (resid 63 and name HB* ) 2.6 0.8 1.2 assign (resid 47 and name HG* ) (resid 92 and name HE* ) 2.0 0.2 1.0 assign (resid 47 and name HG* ) (resid 92 and name HD* ) 2.7 0.9 1.2 assign (resid 48 and name HB* ) (resid 60 and name HD* ) 3.2 1.2 0.8 assign (resid 50 and name HB* ) (resid 60 and name HD* ) 3.2 1.4 1.3 assign (resid 50 and name HB* ) (resid 60 and name HE* ) 3.2 1.4 1.3 assign (resid 51 and name HA ) (resid 51 and name HB ) 2.5 0.7 0.6 assign (resid 51 and name HA ) (resid 51 and name HG2*) 2.0 0.2 1.0 assign (resid 51 and name HB ) (resid 53 and name HE* ) 2.8 1.0 0.7 assign (resid 51 and name HG2*) (resid 53 and name HE* ) 2.6 0.8 0.6 assign (resid 52 and name HA ) (resid 52 and name HB* ) 2.8 1.0 0.7 assign (resid 52 and name HB1 ) (resid 52 and name HD* ) 2.3 0.5 0.6 assign (resid 52 and name HB2 ) (resid 52 and name HD* ) 2.3 0.5 0.6 assign (resid 52 and name HB* ) (resid 54 and name HE* ) 2.9 1.1 1.3 assign (resid 52 and name HD* ) (resid 54 and name HA ) 2.5 0.7 0.7 assign (resid 52 and name HD* ) (resid 54 and name HE* ) 3.0 1.2 1.2 assign (resid 53 and name HG* ) (resid 53 and name HE* ) 2.2 0.4 1.1 assign (resid 54 and name HA ) (resid 54 and name HB* ) 2.4 0.6 0.6 assign (resid 54 and name HA ) (resid 54 and name HG* ) 2.5 0.7 0.7 assign (resid 54 and name HA ) (resid 54 and name HE* ) 2.8 1.0 1.2 assign (resid 54 and name HB* ) (resid 54 and name HG* ) 2.0 0.2 0.5 assign (resid 54 and name HG* ) (resid 54 and name HE* ) 2.3 0.5 1.0 assign (resid 56 and name HA ) (resid 56 and name HB* ) 2.1 0.3 0.5 assign (resid 57 and name HA ) (resid 57 and name HB* ) 2.1 0.3 0.5 assign (resid 57 and name HA ) (resid 57 and name HG* ) 2.4 0.6 0.5 assign (resid 57 and name HB* ) (resid 57 and name HG* ) 2.4 0.6 0.5 assign (resid 58 and name HA ) (resid 58 and name HD* ) 2.1 0.3 1.1 assign (resid 58 and name HB* ) (resid 58 and name HD* ) 2.0 0.2 1.2 assign (resid 58 and name HD* ) (resid 60 and name HE* ) 3.4 1.6 1.3 assign (resid 59 and name HA ) (resid 59 and name HB ) 2.8 1.0 0.6 assign (resid 59 and name HA ) (resid 59 and name HG2*) 2.1 0.3 1.0 assign (resid 60 and name HA ) (resid 60 and name HB* ) 2.7 0.9 0.6 assign (resid 60 and name HA ) (resid 60 and name HD* ) 2.9 1.1 0.7 assign (resid 60 and name HB1 ) (resid 60 and name HD* ) 2.8 1.0 0.7 assign (resid 60 and name HB2 ) (resid 60 and name HD* ) 2.8 1.0 0.7 assign (resid 60 and name HD* ) (resid 69 and name HA ) 3.4 1.6 0.9 assign (resid 60 and name HE* ) (resid 79 and name HD* ) 2.6 0.8 1.1 assign (resid 60 and name HZ ) (resid 79 and name HD* ) 2.4 0.6 1.1 assign (resid 63 and name HA ) (resid 63 and name HB* ) 2.2 0.4 0.5 assign (resid 64 and name HA ) (resid 64 and name HB* ) 2.2 0.4 0.5 assign (resid 67 and name HA ) (resid 67 and name HB ) 2.5 0.7 0.6 assign (resid 67 and name HA ) (resid 67 and name HG2*) 2.1 0.3 1.1 assign (resid 67 and name HA ) (resid 67 and name HD1*) 2.8 1.0 1.2 assign (resid 67 and name HB ) (resid 67 and name HG1*) 2.6 0.8 1.1 assign (resid 67 and name HB ) (resid 67 and name HD1*) 2.2 0.4 1.1 assign (resid 68 and name HA ) (resid 81 and name HA ) 2.8 1.4 0.7 assign (resid 68 and name HB* ) (resid 79 and name HD* ) 3.1 1.3 1.3 assign (resid 69 and name HA ) (resid 69 and name HG2*) 2.6 0.8 1.1 assign (resid 71 and name HA ) (resid 71 and name HB ) 2.2 0.4 0.6 assign (resid 71 and name HA ) (resid 71 and name HG2*) 2.0 0.2 1.1 assign (resid 71 and name HG2*) (resid 78 and name HB* ) 2.5 0.7 1.1 assign (resid 72 and name HA ) (resid 72 and name HB* ) 2.6 0.8 0.6 assign (resid 72 and name HA ) (resid 77 and name HA ) 2.1 0.3 0.5 assign (resid 72 and name HA ) (resid 77 and name HB ) 2.9 1.1 0.7 assign (resid 72 and name HA ) (resid 77 and name HG* ) 2.8 1.0 1.2 assign (resid 72 and name HB* ) (resid 77 and name HG* ) 3.0 1.2 1.2 assign (resid 73 and name HA ) (resid 73 and name HB* ) 2.0 0.2 0.5 assign (resid 75 and name HA ) (resid 75 and name HB* ) 2.1 0.3 0.5 assign (resid 76 and name HA ) (resid 76 and name HB* ) 2.2 0.4 0.6 assign (resid 77 and name HA ) (resid 77 and name HB ) 2.5 0.7 0.6 assign (resid 77 and name HA ) (resid 77 and name HG* ) 2.2 0.4 1.0 assign (resid 77 and name HB ) (resid 77 and name HG* ) 1.9 0.1 0.5 assign (resid 77 and name HG* ) (resid 79 and name HG ) 2.2 0.4 1.0 assign (resid 77 and name HG* ) (resid 79 and name HD* ) 2.4 0.6 1.1 assign (resid 77 and name HG* ) (resid 96 and name HG* ) 2.2 0.4 1.1 assign (resid 78 and name HA ) (resid 78 and name HB* ) 2.9 1.1 0.7 assign (resid 79 and name HA ) (resid 79 and name HB* ) 2.7 0.9 0.7 assign (resid 79 and name HA ) (resid 79 and name HG ) 2.6 0.8 0.7 assign (resid 79 and name HA ) (resid 79 and name HD* ) 1.9 0.1 1.0 assign (resid 79 and name HB* ) (resid 79 and name HD* ) 2.6 0.8 1.1 assign (resid 79 and name HG ) (resid 79 and name HD* ) 2.0 0.2 1.0 assign (resid 80 and name HA ) (resid 80 and name HB ) 2.6 0.8 0.6 assign (resid 80 and name HA ) (resid 80 and name HG2*) 2.2 0.4 1.1 assign (resid 80 and name HG2*) (resid 82 and name HG* ) 2.4 0.6 1.0 assign (resid 81 and name HA ) (resid 81 and name HB ) 3.2 1.4 0.8 assign (resid 81 and name HA ) (resid 81 and name HG2*) 2.3 0.5 1.1 assign (resid 81 and name HB ) (resid 81 and name HG1*) 2.3 0.5 1.0 assign (resid 81 and name HB ) (resid 81 and name HD1*) 2.4 0.6 1.1 assign (resid 81 and name HG2*) (resid 81 and name HD1*) 2.1 0.3 1.0 assign (resid 81 and name HG2*) (resid 84 and name HD* ) 2.6 0.8 1.2 assign (resid 81 and name HD1*) (resid 92 and name HD* ) 2.1 0.3 1.1 assign (resid 81 and name HD1*) (resid 92 and name HE* ) 2.7 0.9 1.2 assign (resid 81 and name HG2*) (resid 115 and name HD1*) 3.0 1.2 1.3 assign (resid 81 and name HD1*) (resid 115 and name HB ) 3.0 1.2 1.3 assign (resid 81 and name HD1*) (resid 115 and name HD1*) 2.3 0.5 1.0 assign (resid 82 and name HA ) (resid 82 and name HB* ) 2.0 0.2 0.5 assign (resid 82 and name HA ) (resid 82 and name HG* ) 2.5 0.7 0.6 assign (resid 82 and name HB* ) (resid 82 and name HG* ) 1.5 0.3 0.9 assign (resid 84 and name HA ) (resid 84 and name HB* ) 2.4 0.6 0.6 assign (resid 84 and name HA ) (resid 84 and name HD* ) 2.1 0.3 1.0 assign (resid 84 and name HB* ) (resid 84 and name HD* ) 1.9 0.1 1.0 assign (resid 84 and name HD* ) (resid 88 and name HB* ) 2.3 0.5 1.1 assign (resid 84 and name HD* ) (resid 115 and name HB ) 2.9 1.1 1.3 assign (resid 84 and name HD* ) (resid 115 and name HG2*) 2.1 0.3 1.0 assign (resid 85 and name HA ) (resid 85 and name HB* ) 2.5 0.7 0.7 assign (resid 85 and name HA ) (resid 85 and name HG* ) 2.0 0.2 0.5 assign (resid 85 and name HA ) (resid 85 and name HD* ) 3.0 1.2 0.8 assign (resid 85 and name HB* ) (resid 85 and name HG* ) 1.9 0.1 0.5 assign (resid 85 and name HB* ) (resid 85 and name HD* ) 2.9 1.1 0.7 assign (resid 85 and name HG* ) (resid 85 and name HD* ) 2.3 0.5 0.5 assign (resid 85 and name HB* ) (resid 87 and name HB* ) 2.4 0.6 0.6 assign (resid 86 and name HB* ) (resid 87 and name HB* ) 3.1 1.3 1.2 assign (resid 87 and name HA ) (resid 87 and name HB* ) 1.9 0.1 0.5 assign (resid 87 and name HB* ) (resid 87 and name HE* ) 3.1 1.3 1.3 assign (resid 87 and name HG* ) (resid 87 and name HE* ) 3.0 1.2 1.3 assign (resid 88 and name HA ) (resid 88 and name HB* ) 1.9 0.1 0.5 assign (resid 89 and name HA ) (resid 89 and name HB ) 2.0 0.2 0.5 assign (resid 89 and name HA ) (resid 89 and name HG2*) 2.0 0.2 1.0 assign (resid 89 and name HG2*) (resid 116 and name HA ) 2.2 0.4 1.0 assign (resid 89 and name HG2*) (resid 116 and name HB* ) 3.2 1.4 1.3 assign (resid 89 and name HG2*) (resid 116 and name HD* ) 2.5 0.7 1.1 assign (resid 89 and name HG2*) (resid 116 and name HE* ) 3.2 1.4 1.3 assign (resid 91 and name HA ) (resid 91 and name HB* ) 2.5 0.7 0.7 assign (resid 91 and name HA ) (resid 91 and name HG ) 3.0 1.2 0.7 assign (resid 91 and name HA ) (resid 91 and name HD* ) 1.9 0.1 1.0 assign (resid 91 and name HB* ) (resid 91 and name HD* ) 2.7 0.9 1.1 assign (resid 91 and name HG ) (resid 93 and name HD1*) 2.4 0.6 1.1 assign (resid 91 and name HD1*) (resid 112 and name HA* ) 2.0 0.2 1.0 assign (resid 91 and name HD2*) (resid 112 and name HA* ) 2.0 0.2 1.0 assign (resid 91 and name HD* ) (resid 114 and name HB* ) 2.9 1.1 1.2 assign (resid 91 and name HD* ) (resid 114 and name HG* ) 3.1 1.3 1.3 assign (resid 92 and name HA ) (resid 92 and name HB* ) 2.9 1.1 0.7 assign (resid 92 and name HA ) (resid 92 and name HD* ) 3.0 1.2 0.8 assign (resid 92 and name HB* ) (resid 92 and name HD* ) 2.8 1.0 0.6 assign (resid 92 and name HD* ) (resid 115 and name HB ) 1.8 0.0 3.2 assign (resid 92 and name HD* ) (resid 115 and name HD1*) 2.9 1.1 1.2 assign (resid 92 and name HE* ) (resid 115 and name HB ) 3.0 1.2 0.8 assign (resid 92 and name HE* ) (resid 115 and name HD1*) 3.2 1.4 1.3 assign (resid 93 and name HA ) (resid 93 and name HG1*) 2.4 0.6 1.1 assign (resid 93 and name HA ) (resid 93 and name HG2*) 2.3 0.5 1.1 assign (resid 93 and name HA ) (resid 93 and name HD1*) 2.5 0.7 1.1 assign (resid 93 and name HB ) (resid 93 and name HG1*) 2.4 0.6 1.1 assign (resid 93 and name HB ) (resid 93 and name HD1*) 2.0 0.2 1.0 assign (resid 93 and name HG2*) (resid 95 and name HD* ) 2.8 1.0 1.3 assign (resid 93 and name HA ) (resid 112 and name HA1 ) 2.2 0.4 0.6 assign (resid 93 and name HA ) (resid 112 and name HA2 ) 2.2 0.4 0.6 assign (resid 93 and name HD1*) (resid 112 and name HA* ) 2.8 1.0 1.3 assign (resid 95 and name HA ) (resid 95 and name HB* ) 3.0 1.2 0.8 assign (resid 95 and name HA ) (resid 95 and name HG* ) 2.7 0.9 0.7 assign (resid 95 and name HA ) (resid 95 and name HD* ) 2.3 0.5 0.6 assign (resid 95 and name HA ) (resid 109 and name HA ) 2.2 0.4 0.5 assign (resid 95 and name HA ) (resid 109 and name HD1*) 3.4 1.6 1.3 assign (resid 95 and name HA ) (resid 109 and name HG2*) 3.0 1.2 1.2 assign (resid 95 and name HB* ) (resid 109 and name HG2*) 2.3 0.5 1.1 assign (resid 95 and name HD* ) (resid 109 and name HG2*) 2.6 0.8 1.2 assign (resid 95 and name HD* ) (resid 109 and name HD1*) 3.4 1.6 1.3 assign (resid 95 and name HE* ) (resid 109 and name HD1*) 2.6 0.8 1.2 assign (resid 96 and name HA ) (resid 96 and name HG* ) 2.0 0.2 0.9 assign (resid 96 and name HB ) (resid 96 and name HG* ) 2.1 0.3 1.0 assign (resid 96 and name HG* ) (resid 98 and name HD* ) 2.4 0.6 1.1 assign (resid 96 and name HG* ) (resid 109 and name HA ) 2.7 0.9 1.1 assign (resid 97 and name HB* ) (resid 99 and name HA ) 2.8 1.0 0.7 assign (resid 97 and name HG* ) (resid 99 and name HE* ) 3.1 1.3 1.3 assign (resid 98 and name HA ) (resid 98 and name HB* ) 2.3 0.5 0.5 assign (resid 98 and name HA ) (resid 98 and name HD* ) 2.3 0.5 1.1 assign (resid 98 and name HB* ) (resid 98 and name HD* ) 2.3 0.5 1.1 assign (resid 98 and name HG ) (resid 98 and name HD* ) 2.1 0.3 1.1 assign (resid 98 and name HB* ) (resid 104 and name HE* ) 3.0 1.2 0.7 assign (resid 98 and name HD* ) (resid 104 and name HE* ) 3.0 1.2 1.2 assign (resid 98 and name HD* ) (resid 106 and name HD* ) 1.8 0.0 1.1 assign (resid 99 and name HA ) (resid 99 and name HB* ) 2.6 0.8 0.6 assign (resid 99 and name HA ) (resid 99 and name HG* ) 3.0 1.2 0.7 assign (resid 99 and name HA ) (resid 99 and name HE* ) 2.7 0.9 1.1 assign (resid 99 and name HG* ) (resid 99 and name HE* ) 2.4 0.6 1.1 assign (resid 99 and name HA ) (resid 104 and name HD* ) 2.8 1.0 0.7 assign (resid 99 and name HE* ) (resid 104 and name HD* ) 2.9 1.1 1.2 assign (resid 99 and name HE* ) (resid 104 and name HE* ) 2.2 0.4 1.0 assign (resid 100 and name HA ) (resid 100 and name HB* ) 2.1 0.3 0.5 assign (resid 100 and name HA ) (resid 100 and name HD* ) 2.9 1.1 0.7 assign (resid 100 and name HB1 ) (resid 100 and name HD* ) 2.6 0.8 0.6 assign (resid 100 and name HB2 ) (resid 100 and name HD* ) 2.6 0.8 0.6 assign (resid 103 and name HA ) (resid 103 and name HB* ) 2.4 0.6 0.6 assign (resid 103 and name HA ) (resid 103 and name HG* ) 2.2 0.4 0.6 assign (resid 103 and name HG* ) (resid 103 and name HD* ) 2.4 0.6 0.6 assign (resid 104 and name HA ) (resid 104 and name HB* ) 3.0 1.2 0.7 assign (resid 104 and name HA ) (resid 104 and name HD* ) 2.3 0.5 0.6 assign (resid 104 and name HB1 ) (resid 104 and name HD* ) 2.4 0.6 0.6 assign (resid 104 and name HB2 ) (resid 104 and name HD* ) 2.4 0.6 0.6 assign (resid 105 and name HA ) (resid 105 and name HB1 ) 2.5 0.7 0.6 assign (resid 105 and name HA ) (resid 105 and name HB2 ) 2.5 0.7 0.6 assign (resid 105 and name HA ) (resid 105 and name HD* ) 2.7 0.9 0.7 assign (resid 105 and name HB* ) (resid 105 and name HD* ) 2.5 0.7 0.6 assign (resid 105 and name HB* ) (resid 106 and name HD* ) 3.0 1.2 1.2 assign (resid 105 and name HD* ) (resid 106 and name HD* ) 2.8 1.0 1.2 assign (resid 106 and name HA ) (resid 106 and name HB* ) 2.6 0.8 0.6 assign (resid 106 and name HA ) (resid 106 and name HD* ) 2.2 0.4 1.1 assign (resid 106 and name HB* ) (resid 106 and name HG ) 2.1 0.3 0.5 assign (resid 106 and name HB* ) (resid 106 and name HD* ) 2.2 0.4 1.0 assign (resid 109 and name HA ) (resid 109 and name HB ) 2.9 1.1 0.7 assign (resid 109 and name HA ) (resid 109 and name HG1*) 3.1 1.3 1.2 assign (resid 109 and name HA ) (resid 109 and name HG2*) 2.3 0.5 1.0 assign (resid 109 and name HA ) (resid 109 and name HD1*) 2.4 0.6 1.0 assign (resid 109 and name HB ) (resid 109 and name HG1*) 2.0 0.2 1.0 assign (resid 109 and name HB ) (resid 109 and name HD1*) 2.2 0.4 1.0 assign (resid 111 and name HA ) (resid 111 and name HB* ) 2.0 0.2 0.5 assign (resid 113 and name HA ) (resid 113 and name HB ) 2.7 0.9 0.6 assign (resid 113 and name HA ) (resid 113 and name HG2*) 2.1 0.3 1.0 assign (resid 113 and name HG2*) (resid 115 and name HA ) 2.7 0.9 1.2 assign (resid 113 and name HG2*) (resid 115 and name HG1*) 3.3 1.5 1.3 assign (resid 113 and name HG2*) (resid 115 and name HD1*) 3.3 1.5 1.3 assign (resid 114 and name HA ) (resid 114 and name HB* ) 2.1 0.3 0.5 assign (resid 114 and name HA ) (resid 114 and name HG* ) 2.9 1.1 0.7 assign (resid 114 and name HB* ) (resid 114 and name HG* ) 2.2 0.4 0.6 assign (resid 114 and name HB* ) (resid 116 and name HE* ) 2.7 0.9 0.6 assign (resid 114 and name HG* ) (resid 116 and name HE* ) 2.6 0.8 0.6 assign (resid 115 and name HA ) (resid 115 and name HB ) 3.1 1.3 0.7 assign (resid 115 and name HA ) (resid 115 and name HG1*) 2.6 0.8 1.1 assign (resid 115 and name HA ) (resid 115 and name HG2*) 2.3 0.5 1.0 assign (resid 115 and name HB ) (resid 115 and name HG1*) 2.8 1.0 1.2 assign (resid 115 and name HB ) (resid 115 and name HD1*) 2.2 0.4 1.1 assign (resid 115 and name HG2*) (resid 115 and name HD1*) 2.1 0.3 1.0 assign (resid 116 and name HA ) (resid 116 and name HB* ) 2.5 0.7 0.6 assign (resid 116 and name HA ) (resid 116 and name HD* ) 2.4 0.6 0.5 assign (resid 116 and name HB* ) (resid 116 and name HD* ) 2.2 0.4 0.6 assign (resid 116 and name HB* ) (resid 118 and name HD1*) 2.9 1.1 1.2 assign (resid 117 and name HA ) (resid 117 and name HB ) 3.3 1.5 0.9 assign (resid 117 and name HA ) (resid 117 and name HG* ) 1.9 0.1 1.0 assign (resid 117 and name HB ) (resid 117 and name HG* ) 2.1 0.3 1.0 assign (resid 117 and name HG* ) (resid 118 and name HB ) 2.5 0.7 1.1 assign (resid 118 and name HA ) (resid 118 and name HB ) 2.4 0.6 0.6 assign (resid 118 and name HA ) (resid 118 and name HG1*) 2.8 1.0 1.2 assign (resid 118 and name HA ) (resid 118 and name HG2*) 2.2 0.4 1.0 assign (resid 118 and name HA ) (resid 118 and name HD1*) 2.4 0.6 1.1 assign (resid 118 and name HB ) (resid 118 and name HG1*) 2.2 0.4 1.0 assign (resid 118 and name HB ) (resid 118 and name HD1*) 2.2 0.4 1.1 ! assign (resid 2 and name HA ) (resid 3 and name HN ) 2.2 0.4 0.6 assign (resid 3 and name HN ) (resid 3 and name HB ) 2.7 0.9 0.6 assign (resid 3 and name HN ) (resid 3 and name HG* ) 2.9 1.1 1.2 assign (resid 3 and name HA ) (resid 4 and name HN ) 2.2 0.4 0.5 assign (resid 3 and name HG* ) (resid 4 and name HN ) 2.7 0.9 1.2 assign (resid 4 and name HN ) (resid 4 and name HB* ) 2.3 0.5 1.1 assign (resid 4 and name HA ) (resid 5 and name HN ) 2.1 0.3 0.5 assign (resid 4 and name HB* ) (resid 5 and name HN ) 2.4 0.6 1.2 assign (resid 3 and name HG* ) (resid 109 and name HN ) 3.2 1.4 1.3 assign (resid 4 and name HN ) (resid 22 and name HB* ) 3.4 1.6 0.9 assign (resid 4 and name HB* ) (resid 22 and name HN ) 2.9 1.1 1.2 assign (resid 4 and name HN ) (resid 23 and name HA ) 3.1 1.3 0.8 assign (resid 5 and name HN ) (resid 5 and name HB* ) 2.8 1.0 0.6 assign (resid 5 and name HN ) (resid 5 and name HG* ) 2.6 0.8 0.6 assign (resid 5 and name HG* ) (resid 5 and name HE2*) 3.2 1.4 0.8 assign (resid 5 and name HB* ) (resid 112 and name HN ) 3.5 1.7 0.8 assign (resid 5 and name HG* ) (resid 112 and name HN ) 3.1 1.3 0.8 assign (resid 6 and name HA ) (resid 8 and name HN ) 3.1 1.3 0.7 assign (resid 6 and name HB* ) (resid 8 and name HN ) 2.9 1.1 0.7 assign (resid 7 and name HN ) (resid 7 and name HB* ) 3.1 1.3 1.3 assign (resid 7 and name HN ) (resid 8 and name HN ) 3.0 1.2 0.8 assign (resid 7 and name HB* ) (resid 8 and name HN ) 2.4 0.6 1.1 assign (resid 7 and name HA ) (resid 114 and name HN ) 3.1 1.3 0.8 assign (resid 8 and name HN ) (resid 8 and name HB ) 2.3 0.5 0.6 assign (resid 8 and name HN ) (resid 8 and name HB ) 2.4 0.6 0.6 assign (resid 8 and name HN ) (resid 8 and name HG* ) 2.5 0.7 1.1 assign (resid 8 and name HG* ) (resid 9 and name HN ) 2.3 0.5 1.1 assign (resid 8 and name HN ) (resid 9 and name HN ) 3.3 1.5 0.8 assign (resid 8 and name HA ) (resid 9 and name HN ) 2.3 0.5 0.5 assign (resid 8 and name HA ) (resid 114 and name HN ) 2.8 1.0 0.7 assign (resid 9 and name HN ) (resid 9 and name HB ) 2.5 0.7 0.6 assign (resid 9 and name HA ) (resid 10 and name HN ) 2.1 0.3 0.6 assign (resid 9 and name HB ) (resid 10 and name HN ) 3.8 2.0 1.0 assign (resid 9 and name HG1*) (resid 10 and name HN ) 2.6 0.8 1.2 assign (resid 9 and name HG2*) (resid 10 and name HN ) 2.8 1.0 1.2 assign (resid 9 and name HN ) (resid 114 and name HN ) 3.4 1.2 0.8 assign (resid 9 and name HN ) (resid 115 and name HA ) 2.7 0.9 0.7 assign (resid 9 and name HN ) (resid 113 and name HG2*) 2.7 0.9 1.2 assign (resid 9 and name HN ) (resid 116 and name HN ) 3.2 1.4 0.9 assign (resid 10 and name HN ) (resid 10 and name HB* ) 2.3 0.5 0.6 assign (resid 10 and name HN ) (resid 10 and name HG ) 2.9 1.1 0.7 assign (resid 10 and name HA ) (resid 11 and name HN ) 2.2 0.4 0.5 assign (resid 10 and name HB* ) (resid 11 and name HN ) 2.9 1.1 0.7 assign (resid 10 and name HD* ) (resid 11 and name HN ) 2.9 1.1 1.2 assign (resid 11 and name HN ) (resid 11 and name HB* ) 2.4 0.6 1.1 assign (resid 11 and name HA ) (resid 12 and name HN ) 2.2 0.4 0.6 assign (resid 11 and name HB* ) (resid 12 and name HN ) 2.7 0.9 1.2 assign (resid 11 and name HB* ) (resid 16 and name HN ) 3.2 1.4 1.3 assign (resid 11 and name HN ) (resid 116 and name HB* ) 3.2 1.4 0.8 assign (resid 11 and name HN ) (resid 115 and name HG2*) 3.2 1.4 1.3 assign (resid 11 and name HN ) (resid 116 and name HN ) 3.1 1.3 0.7 assign (resid 12 and name HN ) (resid 12 and name HB* ) 2.6 0.8 0.6 assign (resid 12 and name HN ) (resid 16 and name HN ) 3.2 1.4 0.8 assign (resid 12 and name HN ) (resid 17 and name HA ) 3.4 1.6 0.8 assign (resid 14 and name HA ) (resid 15 and name HN ) 2.8 1.0 0.7 assign (resid 15 and name HN ) (resid 15 and name HA* ) 2.4 0.6 0.6 assign (resid 15 and name HN ) (resid 16 and name HN ) 2.6 0.8 0.6 assign (resid 15 and name HA1 ) (resid 16 and name HN ) 3.1 1.3 0.8 assign (resid 15 and name HA2 ) (resid 16 and name HN ) 3.1 1.3 0.8 assign (resid 15 and name HA1 ) (resid 84 and name HN ) 2.9 1.1 0.8 assign (resid 16 and name HN ) (resid 16 and name HB ) 2.6 0.8 0.6 assign (resid 16 and name HN ) (resid 16 and name HG2*) 3.0 1.2 1.2 assign (resid 16 and name HN ) (resid 16 and name HG1*) 2.9 1.1 1.3 assign (resid 16 and name HN ) (resid 16 and name HD1*) 3.0 1.2 1.2 assign (resid 16 and name HN ) (resid 17 and name HN ) 3.2 1.4 0.8 assign (resid 16 and name HA ) (resid 17 and name HN ) 2.3 0.5 0.6 assign (resid 16 and name HG2*) (resid 17 and name HN ) 2.6 0.8 1.2 assign (resid 17 and name HN ) (resid 17 and name HB* ) 2.8 1.0 0.7 assign (resid 17 and name HA ) (resid 18 and name HN ) 2.2 0.4 0.5 assign (resid 17 and name HB* ) (resid 18 and name HN ) 2.6 0.8 0.6 assign (resid 17 and name HN ) (resid 80 and name HG2*) 3.0 1.2 1.3 assign (resid 17 and name HN ) (resid 81 and name HN ) 2.9 1.1 0.7 assign (resid 17 and name HN ) (resid 81 and name HD1*) 3.4 1.6 1.4 assign (resid 18 and name HN ) (resid 18 and name HB* ) 3.0 1.2 0.7 assign (resid 18 and name HA ) (resid 19 and name HN ) 2.2 0.4 0.6 assign (resid 18 and name HB* ) (resid 19 and name HN ) 3.0 1.2 0.7 assign (resid 18 and name HA ) (resid 81 and name HN ) 3.3 1.5 0.8 assign (resid 19 and name HN ) (resid 19 and name HD* ) 3.4 1.6 0.9 assign (resid 19 and name HB1 ) (resid 20 and name HN ) 3.1 1.3 0.7 assign (resid 19 and name HB2 ) (resid 20 and name HN ) 3.1 1.3 0.7 assign (resid 19 and name HN ) (resid 79 and name HN ) 3.0 1.2 0.7 assign (resid 19 and name HE* ) (resid 94 and name HN ) 3.3 1.5 0.9 assign (resid 20 and name HN ) (resid 20 and name HB ) 2.5 0.7 0.6 assign (resid 20 and name HN ) (resid 20 and name HG* ) 2.6 0.8 1.2 assign (resid 20 and name HA ) (resid 21 and name HN ) 2.2 0.4 0.5 assign (resid 20 and name HG* ) (resid 21 and name HN ) 2.5 0.7 1.1 assign (resid 20 and name HG* ) (resid 76 and name HE21) 3.3 1.5 1.3 assign (resid 20 and name HG* ) (resid 76 and name HE22) 3.1 1.3 1.3 assign (resid 20 and name HG* ) (resid 77 and name HN ) 3.0 1.2 1.2 assign (resid 20 and name HG* ) (resid 78 and name HN ) 2.6 0.8 1.2 assign (resid 21 and name HN ) (resid 21 and name HB* ) 2.9 1.1 0.7 assign (resid 21 and name HA ) (resid 22 and name HN ) 2.2 0.4 0.5 assign (resid 21 and name HN ) (resid 77 and name HN ) 2.9 1.1 0.7 assign (resid 22 and name HN ) (resid 22 and name HB* ) 2.8 1.0 0.7 assign (resid 22 and name HA ) (resid 23 and name HN ) 2.2 0.4 0.5 assign (resid 22 and name HB* ) (resid 23 and name HN ) 3.0 1.2 0.7 assign (resid 22 and name HG* ) (resid 23 and name HN ) 3.0 1.2 0.7 assign (resid 22 and name HA ) (resid 77 and name HN ) 3.3 1.5 0.8 assign (resid 22 and name HB* ) (resid 77 and name HN ) 3.3 1.5 0.8 assign (resid 23 and name HN ) (resid 23 and name HD* ) 2.7 0.9 1.2 assign (resid 23 and name HN ) (resid 24 and name HN ) 3.3 1.5 0.9 assign (resid 23 and name HA ) (resid 24 and name HN ) 2.3 0.5 0.6 assign (resid 23 and name HB* ) (resid 24 and name HN ) 2.4 0.6 0.6 assign (resid 23 and name HD* ) (resid 24 and name HN ) 3.2 1.4 0.9 assign (resid 23 and name HE* ) (resid 24 and name HN ) 3.9 2.1 1.0 assign (resid 23 and name HD* ) (resid 25 and name HN ) 3.1 1.3 0.8 assign (resid 23 and name HN ) (resid 75 and name HB* ) 2.9 1.1 0.7 assign (resid 23 and name HN ) (resid 76 and name HA ) 3.4 1.6 0.9 assign (resid 24 and name HN ) (resid 24 and name HB* ) 2.2 0.4 1.1 assign (resid 24 and name HA ) (resid 25 and name HN ) 2.0 0.2 0.6 assign (resid 24 and name HB* ) (resid 25 and name HN ) 2.9 1.1 1.3 assign (resid 25 and name HN ) (resid 25 and name HB* ) 2.6 0.8 0.7 assign (resid 27 and name HN ) (resid 27 and name HA* ) 2.9 1.1 0.7 assign (resid 28 and name HA ) (resid 29 and name HN ) 2.3 0.5 0.6 assign (resid 29 and name HN ) (resid 29 and name HB* ) 2.4 0.6 1.0 assign (resid 29 and name HA ) (resid 30 and name HN ) 2.4 0.6 0.6 assign (resid 29 and name HB* ) (resid 30 and name HN ) 3.0 1.2 1.2 assign (resid 29 and name HB* ) (resid 31 and name HN ) 3.3 1.5 1.2 assign (resid 30 and name HN ) (resid 30 and name HG2*) 3.2 1.4 1.3 assign (resid 30 and name HN ) (resid 31 and name HN ) 2.6 0.8 0.6 assign (resid 31 and name HN ) (resid 31 and name HG* ) 3.0 1.2 1.2 assign (resid 31 and name HA ) (resid 32 and name HN ) 2.3 0.5 0.6 assign (resid 31 and name HB* ) (resid 99 and name HN ) 3.3 1.5 0.8 assign (resid 31 and name HB* ) (resid 100 and name HN ) 2.9 1.1 0.7 assign (resid 32 and name HN ) (resid 32 and name HB ) 2.8 1.0 0.8 assign (resid 32 and name HN ) (resid 32 and name HG* ) 3.4 1.6 1.3 assign (resid 32 and name HA ) (resid 33 and name HN ) 2.4 0.6 0.6 assign (resid 32 and name HG* ) (resid 33 and name HN ) 2.6 0.8 0.7 assign (resid 32 and name HN ) (resid 52 and name HN ) 3.3 1.5 0.9 assign (resid 33 and name HD* ) (resid 33 and name HE ) 3.0 1.2 0.7 assign (resid 33 and name HA ) (resid 34 and name HN ) 2.4 0.6 0.6 assign (resid 33 and name HG* ) (resid 34 and name HN ) 3.1 1.3 0.8 assign (resid 33 and name HG* ) (resid 50 and name HN ) 3.5 1.7 0.9 assign (resid 33 and name HN ) (resid 97 and name HN ) 3.1 1.3 0.8 assign (resid 33 and name HB* ) (resid 97 and name HN ) 2.5 0.7 0.6 assign (resid 33 and name HN ) (resid 99 and name HN ) 3.7 1.9 0.9 assign (resid 33 and name HB* ) (resid 100 and name HN ) 3.0 1.2 0.8 assign (resid 34 and name HN ) (resid 34 and name HB ) 2.8 1.0 0.8 assign (resid 34 and name HN ) (resid 34 and name HG* ) 2.8 1.0 1.2 assign (resid 34 and name HA ) (resid 35 and 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(resid 37 and name HN ) 3.0 1.2 1.2 assign (resid 36 and name HN ) (resid 48 and name HN ) 3.2 0.7 0.8 assign (resid 36 and name HB ) (resid 48 and name HN ) 2.8 1.0 0.7 assign (resid 36 and name HN ) (resid 49 and name HA ) 3.3 1.5 0.8 assign (resid 36 and name HG* ) (resid 95 and name HN ) 3.1 1.3 1.3 assign (resid 37 and name HN ) (resid 37 and name HB* ) 2.5 0.7 0.7 assign (resid 37 and name HN ) (resid 37 and name HD* ) 3.0 1.2 1.2 assign (resid 37 and name HA ) (resid 38 and name HN ) 2.4 0.6 0.6 assign (resid 37 and name HB* ) (resid 38 and name HN ) 3.2 1.4 0.8 assign (resid 37 and name HD2*) (resid 38 and name HN ) 2.6 0.8 1.1 assign (resid 37 and name HD2*) (resid 46 and name HN ) 3.0 1.2 1.2 assign (resid 37 and name HA ) (resid 47 and name HN ) 3.1 1.3 0.8 assign (resid 37 and name HD* ) (resid 47 and name HN ) 3.4 1.6 1.4 assign (resid 37 and name HN ) (resid 93 and name HN ) 3.1 1.3 0.8 assign (resid 37 and name HN ) (resid 93 and name HG1*) 3.2 1.4 1.3 assign (resid 38 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name HA ) (resid 52 and name HN ) 2.5 0.7 0.6 assign (resid 51 and name HG2*) (resid 52 and name HN ) 3.5 1.7 1.3 assign (resid 52 and name HN ) (resid 52 and name HB* ) 3.2 1.4 0.7 assign (resid 52 and name HN ) (resid 52 and name HD* ) 3.2 1.4 0.8 assign (resid 56 and name HA ) (resid 57 and name HN ) 2.4 0.6 0.6 assign (resid 56 and name HB* ) (resid 57 and name HN ) 2.2 0.4 0.6 assign (resid 57 and name HN ) (resid 57 and name HB* ) 2.5 0.7 0.6 assign (resid 57 and name HA ) (resid 58 and name HN ) 2.4 0.6 0.6 assign (resid 57 and name HB* ) (resid 58 and name HN ) 3.1 1.3 0.8 assign (resid 58 and name HN ) (resid 58 and name HG ) 3.0 1.2 0.8 assign (resid 58 and name HA ) (resid 59 and name HN ) 2.1 0.3 0.6 assign (resid 59 and name HN ) (resid 59 and name HB ) 2.6 0.8 0.6 assign (resid 59 and name HN ) (resid 59 and name HG2*) 3.0 1.2 1.3 assign (resid 62 and name HA ) (resid 63 and name HN ) 2.4 0.6 0.6 assign (resid 62 and name HA ) (resid 64 and name HN ) 3.2 1.4 0.8 assign 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name HN ) 2.5 0.7 0.6 assign (resid 109 and name HN ) (resid 109 and name HB ) 2.7 0.9 0.6 assign (resid 109 and name HN ) (resid 109 and name HG1*) 2.8 1.0 1.2 assign (resid 109 and name HN ) (resid 109 and name HG2*) 2.8 1.0 1.2 assign (resid 109 and name HN ) (resid 109 and name HD1*) 3.1 1.3 1.3 assign (resid 109 and name HA ) (resid 110 and name HN ) 2.4 0.6 0.6 assign (resid 109 and name HG2*) (resid 110 and name HN ) 3.0 1.2 1.3 assign (resid 110 and name HN ) (resid 110 and name HA* ) 2.2 0.4 0.6 assign (resid 110 and name HA* ) (resid 111 and name HN ) 2.3 0.5 0.6 assign (resid 110 and name HA* ) (resid 112 and name HN ) 2.8 1.0 0.6 assign (resid 111 and name HN ) (resid 111 and name HA ) 2.2 0.4 0.6 assign (resid 111 and name HN ) (resid 111 and name HB* ) 2.5 0.7 0.6 assign (resid 111 and name HB* ) (resid 111 and name HD2*) 2.6 0.8 0.6 assign (resid 111 and name HN ) (resid 112 and name HN ) 2.9 1.1 0.7 assign (resid 111 and name HB* ) (resid 112 and name HN ) 3.0 1.2 0.8 assign (resid 112 and name HN ) (resid 112 and name HA* ) 2.6 0.8 0.6 assign (resid 112 and name HN ) (resid 113 and name HN ) 3.6 1.8 0.9 assign (resid 112 and name HA* ) (resid 113 and name HN ) 2.5 0.7 0.7 assign (resid 113 and name HN ) (resid 113 and name HB ) 2.7 0.9 0.6 assign (resid 113 and name HA ) (resid 114 and name HN ) 2.3 0.5 0.6 assign (resid 113 and name HG2*) (resid 114 and name HN ) 3.0 1.2 1.2 assign (resid 114 and name HN ) (resid 114 and name HB* ) 2.3 0.5 0.6 assign (resid 114 and name HN ) (resid 114 and name HG* ) 3.3 1.5 0.8 assign (resid 114 and name HG* ) (resid 114 and name HE2*) 3.4 1.6 0.9 assign (resid 114 and name HA ) (resid 115 and name HN ) 2.3 0.5 0.6 assign (resid 114 and name HG* ) (resid 115 and name HN ) 2.7 0.9 0.7 assign (resid 115 and name HN ) (resid 115 and name HG2*) 2.9 1.1 1.3 assign (resid 115 and name HA ) (resid 116 and name HN ) 2.2 0.4 0.5 assign (resid 115 and name HG2*) (resid 116 and name HN ) 2.6 0.8 0.6 assign (resid 116 and name HN ) (resid 116 and name HB* ) 2.7 0.9 0.6 assign (resid 116 and name HN ) (resid 116 and name HD* ) 3.1 1.3 0.7 ! ! carbohydrate on ASN 111 - residues numbered 132-135 ! assign (resid 132 and name H8* ) (resid 93 and name HG2*) 2.8 1.0 0.7 assign (resid 132 and name H8* ) (resid 93 and name HG1*) 2.8 1.0 0.7 assign (resid 132 and name H8* ) (resid 109 and name HB ) 2.8 1.0 0.7 assign (resid 132 and name H8* ) (resid 109 and name HG1*) 2.8 1.0 0.7 assign (resid 132 and name H8* ) (resid 109 and name HD1*) 2.8 1.0 1.2 assign (resid 132 and name H8* ) (resid 111 and name HA ) 3.4 1.6 0.9 assign (resid 132 and name H1 ) (resid 111 and name HD22) 3.0 1.2 0.8 assign (resid 132 and name H2 ) (resid 111 and name HD22) 2.6 0.8 0.7 assign (resid 132 and name H1 ) (resid 111 and name HA ) 3.0 0.0 9.9 assign (resid 132 and name H5 ) (resid 132 and name H6* ) 2.3 0.5 0.5 assign (resid 132 and name HN2 ) (resid 132 and name H1 ) 2.6 0.8 0.7 assign (resid 132 and name HN2 ) (resid 132 and name H2 ) 2.5 0.7 0.6 assign (resid 132 and name HN2 ) (resid 132 and name H3 ) 2.5 0.7 0.6 assign (resid 132 and name H4 ) (resid 133 and name H1 ) 2.3 0.5 0.6 assign (resid 132 and name H6* ) (resid 133 and name H1 ) 2.3 0.5 0.6 assign (resid 132 and name H6* ) (resid 133 and name H8* ) 2.6 0.8 0.7 assign (resid 133 and name H5 ) (resid 133 and name H6* ) 2.2 0.4 0.6 assign (resid 133 and name H8* ) (resid 133 and name H3 ) 3.2 1.4 0.8 assign (resid 133 and name H8* ) (resid 134 and name H1 ) 3.4 1.6 0.9 assign (resid 133 and name H8* ) (resid 134 and name H2 ) 2.8 1.0 0.7 assign (resid 133 and name H4 ) (resid 135 and name H1 ) 2.1 0.3 0.5 assign (resid 133 and name H4 ) (resid 135 and name H2 ) 2.3 0.5 0.6 assign (resid 133 and name H6* ) (resid 135 and name H1 ) 2.7 0.9 0.7 assign (resid 134 and name H4 ) (resid 134 and name H6* ) 2.4 0.6 0.6 ! ! carbohydrate on ASN 78 - residues numbered 136-139 ! assign (resid 78 and name HD22) (resid 136 and name H1 ) 2.8 1.0 0.7 assign (resid 78 and name HD22) (resid 136 and name H2 ) 2.4 0.6 0.6 assign (resid 78 and name HD22) (resid 136 and name H4 ) 3.6 1.8 0.9 assign (resid 136 and name H1 ) (resid 18 and name HB* ) 3.0 1.2 1.0 assign (resid 136 and name H8* ) (resid 18 and name HB* ) 3.0 1.2 1.0 assign (resid 136 and name H8* ) (resid 20 and name HG2*) 3.0 1.2 1.0 assign (resid 136 and name HN2 ) (resid 18 and name HB* ) 3.0 1.2 1.0 assign (resid 137 and name HN2 ) (resid 18 and name HB* ) 3.0 1.2 1.0 assign (resid 137 and name H8* ) (resid 18 and name HB* ) 3.0 1.2 1.0 assign (resid 137 and name H8* ) (resid 16 and name HG2*) 3.0 1.2 1.0 assign (resid 137 and name H8* ) (resid 80 and name HG2*) 3.0 1.2 1.0 assign (resid 71 and name HG2*) (resid 138 and name H3 ) 3.4 1.6 0.8 assign (resid 71 and name HG2*) (resid 138 and name H4 ) 2.4 0.6 0.6 assign (resid 71 and name HG2*) (resid 138 and name H5 ) 2.6 0.8 0.7 assign (resid 136 and name H4 ) (resid 137 and name H1 ) 2.3 0.5 0.6 assign (resid 136 and name H6* ) (resid 138 and name H1 ) 2.0 0.2 0.5 assign (resid 137 and name H5 ) (resid 137 and name H6* ) 2.4 0.6 0.6 assign (resid 137 and name H4 ) (resid 139 and name H1 ) 1.9 0.1 0.5 assign (resid 139 and name H5 ) (resid 139 and name H61 ) 2.1 0.3 0.6 assign (resid 139 and name H5 ) (resid 139 and name H62 ) 2.0 0.2 0.5
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