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 |
|
|
512602 |
2lb5   |
17546 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
assign (resid 31 and name HA ) (resid 31 and (name HB2 or name HB1 )) 3.2 3.2 1.3 assign (resid 31 and name HA ) (resid 34 and name HB ) 3.1 1.3 1.3 assign (resid 31 and (name HB1 or name HB2 )) (resid 31 and (name HD2# or name HD1# )) 2.9 2.9 1.2 assign (resid 31 and (name HB2 or name HB1 )) (resid 31 and (name HD1# or name HD2# )) 2.1 2.1 0.9 assign (resid 31 and (name HB2 or name HB1 )) (resid 32 and (name HB1 or name HB2 )) 4.1 4.1 1.7 assign (resid 31 and (name HD1# or name HD2# )) (resid 195 and name HA ) 3.0 3.0 1.2 assign (resid 31 and (name HD1# or name HD2# )) (resid 198 and name HB# ) 2.2 2.2 0.9 assign (resid 31 and (name HD2# or name HD1# )) (resid 195 and name HA ) 3.0 3.0 1.2 assign (resid 31 and (name HD2# or name HD1# )) (resid 32 and name HN ) 2.9 2.9 1.2 assign (resid 32 and name HA ) (resid 32 and (name HB1 or name HB2 )) 2.6 2.6 1.0 assign (resid 32 and name HA ) (resid 32 and name HN ) 3.6 3.6 1.5 assign (resid 32 and name HA ) (resid 35 and (name HD1# or name HD2# )) 2.7 2.7 1.1 assign (resid 32 and (name HB1 or name HB2 )) (resid 35 and (name HD1# or name HD2# )) 3.9 3.9 1.6 assign (resid 32 and (name HB2 or name HB1 )) (resid 33 and name HA ) 3.9 3.9 1.6 assign (resid 32 and (name HB2 or name HB1 )) (resid 36 and (name HG1 or name HG2 )) 4.1 4.1 1.6 assign (resid 32 and name HN ) (resid 33 and (name HG1 or name HG2 )) 4.1 4.1 1.6 assign (resid 33 and name HA ) (resid 33 and (name HB1 or name HB2 )) 2.5 2.5 1.0 assign (resid 33 and (name HB1 or name HB2 )) (resid 34 and name HN ) 3.0 3.0 1.2 assign (resid 33 and (name HB2 or name HB1 )) (resid 34 and name HN ) 2.7 2.7 1.1 assign (resid 33 and (name HG1 or name HG2 )) (resid 33 and name HA ) 2.0 2.0 0.8 assign (resid 33 and (name HG1 or name HG2 )) (resid 33 and (name HB1 or name HB2 )) 2.3 2.3 0.9 assign (resid 33 and (name HG1 or name HG2 )) (resid 33 and name HN ) 2.8 2.8 1.1 assign (resid 33 and (name HG1 or name HG2 )) (resid 34 and name HA ) 4.6 4.6 1.8 assign (resid 33 and name HN ) (resid 34 and (name HG2# or name HD1# )) 3.8 3.8 1.5 assign (resid 33 and name HN ) (resid 35 and (name HD2# or name HD1# )) 4.6 4.6 1.9 assign (resid 34 and name HA ) (resid 37 and name HB# ) 2.8 2.8 1.1 assign (resid 35 and name HA ) (resid 38 and name HN ) 3.7 1.5 1.5 assign (resid 35 and (name HD1# or name HD2# )) (resid 35 and name HA ) 3.3 3.3 1.3 assign (resid 35 and (name HD1# or name HD2# )) (resid 35 and name HN ) 2.9 2.9 1.2 assign (resid 35 and (name HD2# or name HD1# )) (resid 194 and name HB# ) 2.5 2.5 1.0 assign (resid 35 and (name HD2# or name HD1# )) (resid 195 and (name HD1# or name HG2# )) 2.8 2.8 1.1 assign (resid 35 and (name HD2# or name HD1# )) (resid 35 and name HA ) 2.8 2.8 1.1 assign (resid 36 and name HA ) (resid 36 and (name HB1 or name HB2 )) 2.6 2.6 1.1 assign (resid 36 and name HA ) (resid 36 and (name HG1 or name HG2 )) 3.0 3.0 1.2 assign (resid 36 and (name HB1 or name HB2 )) (resid 36 and (name HD1 or name HD2 )) 3.0 3.0 1.2 assign (resid 36 and (name HB1 or name HB2 )) (resid 36 and (name HD2 or name HD1 )) 3.0 3.0 1.2 assign (resid 36 and (name HB1 or name HB2 )) (resid 38 and name HN ) 3.0 3.0 1.2 assign (resid 36 and (name HB1 or name HB2 )) (resid 39 and (name HG1# or name HG2# )) 3.0 3.0 1.2 assign (resid 36 and (name HD1 or name HD2 )) (resid 36 and (name HG1 or name HG2 )) 2.8 2.8 1.1 assign (resid 36 and name HN ) (resid 33 and name HA ) 2.8 1.1 1.1 assign (resid 36 and name HN ) (resid 36 and name HA ) 3.0 1.2 1.2 assign (resid 36 and name HN ) (resid 36 and (name HB1 or name HB2 )) 2.8 2.8 1.1 assign (resid 37 and name HA ) (resid 40 and (name HG1 or name HG2 )) 3.0 3.0 1.2 assign (resid 37 and name HB# ) (resid 40 and (name HG1 or name HG2 )) 3.8 3.8 1.5 assign (resid 38 and name HB ) (resid 38 and name HG2# ) 3.6 3.6 1.4 assign (resid 38 and name HG2# ) (resid 38 and name HN ) 4.4 4.4 1.8 assign (resid 39 and name HA ) (resid 39 and name HB ) 2.9 2.9 1.2 assign (resid 39 and name HA ) (resid 39 and (name HG2# or name HG1# )) 2.4 2.4 1.0 assign (resid 39 and name HA ) (resid 53 and name HN ) 3.8 1.5 1.5 assign (resid 39 and name HB ) (resid 39 and (name HG2# or name HG1# )) 2.8 2.8 1.1 assign (resid 39 and (name HG1# or name HG2# )) (resid 40 and (name HG1 or name HG2 )) 2.8 2.8 1.1 assign (resid 39 and name HN ) (resid 39 and name HA ) 3.6 1.4 1.4 assign (resid 39 and name HN ) (resid 40 and (name HG1 or name HG2 )) 3.9 3.9 1.5 assign (resid 40 and name HA ) (resid 40 and (name HG1 or name HG2 )) 2.6 2.6 1.0 assign (resid 42 and name HB ) (resid 39 and name HA ) 3.3 1.3 1.3 assign (resid 42 and name HB ) (resid 42 and (name HG1# or name HG2# )) 2.4 2.4 1.0 assign (resid 42 and (name HG1# or name HG2# )) (resid 39 and name HA ) 2.8 2.8 1.1 assign (resid 42 and (name HG1# or name HG2# )) (resid 42 and name HN ) 2.7 2.7 1.1 assign (resid 42 and (name HG1# or name HG2# )) (resid 43 and name HA ) 3.4 3.4 1.3 assign (resid 42 and name HN ) (resid 39 and name HA ) 4.5 1.8 1.8 assign (resid 42 and name HN ) (resid 51 and (name HG1# or name HG2# )) 3.9 3.9 1.6 assign (resid 43 and name HA ) (resid 44 and name HN ) 3.7 1.5 1.5 assign (resid 43 and name HA ) (resid 47 and name HN ) 3.3 1.3 1.3 assign (resid 43 and (name HG1 or name HG2 )) (resid 48 and name HG2# ) 2.1 2.1 0.9 assign (resid 43 and (name HG1 or name HG2 )) (resid 48 and name HN ) 3.7 3.7 1.5 assign (resid 43 and (name HG1 or name HG2 )) (resid 49 and (name HB1 or name HB2 )) 3.7 3.7 1.5 assign (resid 45 and name HA ) (resid 45 and (name HB1 or name HB2 )) 2.5 2.5 1.0 assign (resid 45 and name HA ) (resid 45 and (name HB2 or name HB1 )) 2.7 2.7 1.1 assign (resid 45 and name HA ) (resid 45 and name HN ) 2.8 2.8 1.1 assign (resid 45 and (name HD1 or name HD2 )) (resid 45 and name HA ) 2.6 2.6 1.1 assign (resid 45 and (name HE1 or name HE2 )) (resid 45 and (name HB2 or name HB1 )) 4.6 4.6 1.9 assign (resid 46 and name HA ) (resid 46 and (name HB1 or name HB2 )) 4.1 4.1 1.6 assign (resid 46 and name HA ) (resid 46 and (name HB2 or name HB1 )) 2.8 2.8 1.1 assign (resid 46 and (name HB1 or name HB2 )) (resid 46 and (name HD2# or name HD1# )) 3.2 3.2 1.3 assign (resid 46 and (name HB2 or name HB1 )) (resid 51 and name HB ) 3.8 3.8 1.5 assign (resid 46 and name HN ) (resid 45 and name HA ) 3.4 1.3 1.3 assign (resid 46 and name HN ) (resid 46 and name HA ) 3.3 1.3 1.3 assign (resid 46 and name HN ) (resid 46 and (name HB1 or name HB2 )) 4.4 4.4 1.8 assign (resid 46 and name HN ) (resid 46 and (name HB2 or name HB1 )) 4.6 4.6 1.8 assign (resid 46 and name HN ) (resid 47 and (name HA1 or name HA2 )) 4.2 4.2 1.7 assign (resid 47 and (name HA1 or name HA2 )) (resid 48 and name HN ) 3.5 3.5 1.4 assign (resid 48 and name HB ) (resid 51 and (name HG1# or name HG2# )) 2.4 2.4 1.0 assign (resid 49 and (name HB1 or name HB2 )) (resid 69 and (name HB1 or name HB2 )) 4.5 4.5 1.8 assign (resid 49 and (name HB2 or name HB1 )) (resid 170 and name HA ) 4.2 4.2 1.7 assign (resid 49 and (name HB2 or name HB1 )) (resid 70 and name HN ) 4.6 4.6 1.8 assign (resid 50 and name HA ) (resid 50 and (name HG1 or name HG2 )) 3.7 3.7 1.5 assign (resid 50 and name HA ) (resid 68 and name HB# ) 4.5 4.5 1.8 assign (resid 50 and name HA ) (resid 69 and (name HB1 or name HB2 )) 4.7 4.7 1.9 assign (resid 50 and name HA ) (resid 69 and (name HB2 or name HB1 )) 4.4 4.4 1.7 assign (resid 51 and name HA ) (resid 51 and name HB ) 4.3 4.3 1.7 assign (resid 51 and name HA ) (resid 51 and (name HG1# or name HG2# )) 2.8 2.8 1.1 assign (resid 51 and name HA ) (resid 52 and name HN ) 3.5 1.4 1.4 assign (resid 51 and name HB ) (resid 51 and (name HG1# or name HG2# )) 2.9 2.9 1.1 assign (resid 51 and name HB ) (resid 68 and name HB# ) 4.1 4.1 1.6 assign (resid 51 and (name HG1# or name HG2# )) (resid 166 and (name HD2# or name HD1# )) 2.2 2.2 0.9 assign (resid 51 and (name HG1# or name HG2# )) (resid 168 and (name HB2 or name HB1 )) 3.6 3.6 1.5 assign (resid 51 and (name HG1# or name HG2# )) (resid 52 and name HA ) 2.9 2.9 1.2 assign (resid 51 and (name HG1# or name HG2# )) (resid 52 and name HN ) 3.2 3.2 1.3 assign (resid 51 and (name HG1# or name HG2# )) (resid 68 and name HB# ) 2.1 2.1 0.8 assign (resid 52 and name HA ) (resid 52 and (name HB1 or name HB2 )) 4.7 4.7 1.9 assign (resid 52 and (name HB1 or name HB2 )) (resid 66 and name HB# ) 2.9 2.9 1.2 !added 0.5A to 2.4 2.4 1.0 assign (resid 53 and (name HG2# or name HG1# )) (resid 166 and (name HD1# or name HD2# )) 2.1 2.1 0.8 assign (resid 53 and (name HG2# or name HG1# )) (resid 65 and name HN ) 2.9 2.9 1.1 assign (resid 53 and name HN ) (resid 66 and name HB# ) 3.1 3.1 1.2 assign (resid 54 and name HA ) (resid 165 and (name HB1 or name HB2 )) 3.6 3.6 1.4 assign (resid 54 and name HA ) (resid 165 and (name HD1# or name HD2# )) 3.8 3.8 1.5 assign (resid 54 and name HA ) (resid 165 and (name HD2# or name HD1# )) 4.0 4.0 1.6 assign (resid 54 and name HA ) (resid 54 and (name HB1 or name HB2 )) 3.6 3.6 1.5 assign (resid 54 and name HA ) (resid 54 and (name HB2 or name HB1 )) 4.4 4.4 1.8 assign (resid 54 and (name HB1 or name HB2 )) (resid 167 and (name HG1# or name HG2# )) 4.0 4.0 1.6 assign (resid 54 and (name HB1 or name HB2 )) (resid 54 and name HN ) 4.4 4.4 1.8 assign (resid 54 and (name HB2 or name HB1 )) (resid 167 and (name HG1# or name HG2# )) 3.7 3.7 1.5 assign (resid 54 and (name HB2 or name HB1 )) (resid 54 and (name HD1 or name HD2 )) 4.7 4.7 1.9 assign (resid 54 and (name HB2 or name HB1 )) (resid 54 and name HN ) 4.4 4.4 1.7 assign (resid 54 and (name HE1 or name HE2 )) (resid 87 and (name HD1# or name HG2# )) 3.6 3.6 1.4 assign (resid 56 and name HA ) (resid 57 and (name HB1 or name HB2 )) 4.7 4.7 1.9 assign (resid 56 and name HA ) (resid 57 and (name HB2 or name HB1 )) 4.3 4.3 1.7 assign (resid 56 and name HA ) (resid 57 and name HN ) 4.1 1.6 1.6 assign (resid 57 and name HA ) (resid 57 and (name HB2 or name HB1 )) 3.8 3.8 1.5 assign (resid 57 and (name HB2 or name HB1 )) (resid 60 and (name HA2 or name HA1 )) 4.2 4.2 1.7 assign (resid 58 and name HA ) (resid 58 and (name HG1 or name HG2 )) 2.8 2.8 1.1 assign (resid 59 and name HA ) (resid 59 and (name HG1 or name HG2 )) 2.7 2.7 1.1 assign (resid 61 and name HA ) (resid 61 and (name HB1 or name HB2 )) 4.1 4.1 1.7 assign (resid 61 and name HA ) (resid 61 and (name HB2 or name HB1 )) 3.9 3.9 1.6 assign (resid 61 and (name HB1 or name HB2 )) (resid 62 and (name HA1 or name HA2 )) 4.2 4.2 1.7 assign (resid 61 and (name HB2 or name HB1 )) (resid 57 and (name HB2 or name HB1 )) 3.6 3.6 1.4 assign (resid 62 and (name HA2 or name HA1 )) (resid 62 and name HN ) 4.6 4.6 1.8 assign (resid 62 and (name HA2 or name HA1 )) (resid 63 and name HN ) 3.9 3.9 1.5 assign (resid 62 and name HN ) (resid 83 and name HA ) 3.4 1.4 1.4 assign (resid 63 and name HA ) (resid 63 and name HB ) 4.7 4.7 1.9 assign (resid 63 and name HA ) (resid 64 and name HN ) 3.3 1.3 1.3 assign (resid 63 and name HB ) (resid 63 and name HG2# ) 2.0 2.0 0.8 assign (resid 63 and name HB ) (resid 63 and name HN ) 4.2 4.2 1.7 assign (resid 63 and name HB ) (resid 65 and (name HG1# or name HG2# )) 3.2 3.2 1.3 assign (resid 63 and name HG2# ) (resid 63 and name HN ) 2.4 2.4 1.0 assign (resid 64 and name HA ) (resid 64 and (name HG1# or name HG2# )) 3.0 3.0 1.2 assign (resid 64 and name HA ) (resid 65 and (name HG2# or name HG1# )) 3.3 3.3 1.3 assign (resid 64 and name HB ) (resid 64 and (name HG1# or name HG2# )) 3.9 3.9 1.5 assign (resid 64 and (name HG1# or name HG2# )) (resid 79 and (name HA2 or name HA1 )) 3.9 3.9 1.5 assign (resid 65 and name HA ) (resid 65 and name HB ) 2.6 2.6 1.1 assign (resid 65 and name HA ) (resid 65 and (name HG1# or name HG2# )) 2.4 2.4 1.0 assign (resid 65 and name HA ) (resid 65 and (name HG2# or name HG1# )) 2.7 2.7 1.1 assign (resid 65 and name HB ) (resid 65 and (name HG1# or name HG2# )) 2.4 2.4 1.0 assign (resid 65 and name HB ) (resid 65 and (name HG2# or name HG1# )) 2.4 2.4 1.0 assign (resid 65 and (name HG2# or name HG1# )) (resid 65 and name HN ) 2.8 2.8 1.1 assign (resid 65 and (name HG2# or name HG1# )) (resid 66 and name HB# ) 2.7 2.7 1.1 assign (resid 65 and (name HG2# or name HG1# )) (resid 66 and name HN ) 2.9 2.9 1.2 assign (resid 65 and (name HG2# or name HG1# )) (resid 79 and (name HA2 or name HA1 )) 4.5 4.5 1.8 assign (resid 66 and name HA ) (resid 66 and name HB# ) 2.4 2.4 1.0 assign (resid 66 and name HA ) (resid 66 and name HN ) 3.2 3.2 1.3 assign (resid 66 and name HA ) (resid 67 and (name HB1 or name HB2 )) 4.5 4.5 1.8 assign (resid 66 and name HA ) (resid 67 and name HN ) 2.9 1.2 1.2 assign (resid 66 and name HA ) (resid 78 and (name HD2# or name HD1# )) 2.7 2.7 1.1 assign (resid 66 and name HB# ) (resid 66 and name HN ) 3.1 3.1 1.2 assign (resid 66 and name HN ) (resid 78 and (name HD2# or name HD1# )) 3.0 3.0 1.2 assign (resid 67 and name HA ) (resid 68 and name HN ) 3.7 1.5 1.5 assign (resid 68 and name HA ) (resid 68 and name HB# ) 2.5 2.5 1.0 assign (resid 68 and name HB# ) (resid 69 and name HA ) 3.2 3.2 1.3 assign (resid 68 and name HB# ) (resid 69 and name HN ) 3.0 3.0 1.2 assign (resid 69 and name HA ) (resid 69 and (name HB1 or name HB2 )) 4.0 4.0 1.6 assign (resid 69 and name HA ) (resid 69 and (name HB2 or name HB1 )) 3.5 3.5 1.4 assign (resid 69 and name HA ) (resid 69 and name HN ) 3.9 3.9 1.5 assign (resid 69 and name HA ) (resid 70 and (name HA1 or name HA2 )) 4.3 4.3 1.7 assign (resid 69 and name HA ) (resid 70 and (name HA2 or name HA1 )) 4.5 4.5 1.8 assign (resid 69 and name HA ) (resid 70 and name HN ) 3.2 1.3 1.3 assign (resid 69 and (name HB2 or name HB1 )) (resid 72 and (name HB1 or name HB2 )) 3.4 3.4 1.4 assign (resid 70 and (name HA1 or name HA2 )) (resid 70 and name HN ) 3.2 3.2 1.3 assign (resid 70 and (name HA2 or name HA1 )) (resid 70 and name HN ) 3.1 3.1 1.2 assign (resid 71 and name HN ) (resid 69 and name HA ) 4.0 1.6 1.6 assign (resid 71 and name HN ) (resid 70 and (name HA2 or name HA1 )) 4.2 4.2 1.7 assign (resid 71 and name HN ) (resid 72 and (name HB2 or name HB1 )) 3.9 3.9 1.6 !added 0.5A to 3.4 3.4 1.4 assign (resid 72 and name HA ) (resid 72 and (name HB1 or name HB2 )) 2.7 2.7 1.1 assign (resid 72 and name HA ) (resid 72 and (name HB2 or name HB1 )) 2.5 2.5 1.0 assign (resid 72 and name HA ) (resid 72 and (name HG1 or name HG2 )) 2.7 2.7 1.1 assign (resid 72 and name HA ) (resid 72 and (name HG2 or name HG1 )) 2.8 2.8 1.1 assign (resid 72 and name HA ) (resid 73 and name HN ) 3.3 1.3 1.3 assign (resid 72 and (name HB1 or name HB2 )) (resid 72 and (name HG1 or name HG2 )) 2.2 2.2 0.9 assign (resid 72 and (name HB1 or name HB2 )) (resid 72 and (name HG2 or name HG1 )) 2.2 2.2 0.9 assign (resid 72 and name HN ) (resid 72 and (name HB2 or name HB1 )) 4.3 4.3 1.7 assign (resid 73 and (name HD2 or name HD1 )) (resid 171 and name HB# ) 2.8 2.8 1.1 assign (resid 73 and (name HD2 or name HD1 )) (resid 172 and name HN ) 4.5 4.5 1.8 assign (resid 73 and (name HD2 or name HD1 )) (resid 73 and (name HB2 or name HB1 )) 2.0 2.0 0.8 assign (resid 73 and (name HD2 or name HD1 )) (resid 73 and (name HG1 or name HG2 )) 2.4 2.4 1.0 assign (resid 73 and (name HD2 or name HD1 )) (resid 73 and name HN ) 3.8 3.8 1.5 assign (resid 73 and (name HG1 or name HG2 )) (resid 73 and name HN ) 3.5 3.5 1.4 assign (resid 75 and name HA ) (resid 75 and (name HB2 or name HB1 )) 2.6 2.6 1.0 assign (resid 75 and name HA ) (resid 75 and (name HG2 or name HG1 )) 3.4 3.4 1.4 assign (resid 75 and (name HB1 or name HB2 )) (resid 75 and (name HG2 or name HG1 )) 3.0 3.0 1.2 assign (resid 75 and (name HB2 or name HB1 )) (resid 76 and name HN ) 3.5 3.5 1.4 assign (resid 75 and (name HD1 or name HD2 )) (resid 75 and (name HG2 or name HG1 )) 2.5 2.5 1.0 assign (resid 78 and name HA ) (resid 78 and (name HB1 or name HB2 )) 3.5 3.5 1.4 assign (resid 78 and name HA ) (resid 78 and (name HD1# or name HD2# )) 3.0 3.0 1.2 assign (resid 78 and name HA ) (resid 78 and (name HD2# or name HD1# )) 2.9 2.9 1.2 assign (resid 78 and name HA ) (resid 78 and name HN ) 4.5 4.5 1.8 assign (resid 78 and name HA ) (resid 79 and name HN ) 3.5 1.4 1.4 assign (resid 78 and (name HB1 or name HB2 )) (resid 78 and (name HD2# or name HD1# )) 2.1 2.1 0.8 assign (resid 78 and (name HB1 or name HB2 )) (resid 78 and name HN ) 4.4 4.4 1.8 assign (resid 78 and (name HB1 or name HB2 )) (resid 79 and (name HA2 or name HA1 )) 4.5 4.5 1.8 assign (resid 78 and (name HD2# or name HD1# )) (resid 78 and name HN ) 3.7 3.7 1.5 assign (resid 78 and (name HD2# or name HD1# )) (resid 79 and (name HA1 or name HA2 )) 3.9 3.9 1.6 assign (resid 78 and (name HD2# or name HD1# )) (resid 79 and (name HA2 or name HA1 )) 3.0 3.0 1.2 assign (resid 78 and (name HD2# or name HD1# )) (resid 79 and name HN ) 2.9 2.9 1.2 assign (resid 78 and name HG ) (resid 79 and (name HA1 or name HA2 )) 4.5 4.5 1.8 assign (resid 79 and (name HA1 or name HA2 )) (resid 79 and name HN ) 3.6 3.6 1.4 assign (resid 79 and (name HA2 or name HA1 )) (resid 79 and name HN ) 3.3 3.3 1.3 assign (resid 79 and (name HA2 or name HA1 )) (resid 80 and name HN ) 4.3 4.3 1.7 assign (resid 83 and name HA ) (resid 83 and (name HB1 or name HB2 )) 2.4 2.4 1.0 assign (resid 83 and name HA ) (resid 83 and (name HB2 or name HB1 )) 2.5 2.5 1.0 assign (resid 83 and (name HB1 or name HB2 )) (resid 84 and name HN ) 4.0 4.0 1.6 assign (resid 85 and (name HA1 or name HA2 )) (resid 85 and name HN ) 2.9 2.9 1.2 assign (resid 85 and (name HA1 or name HA2 )) (resid 86 and name HN ) 4.2 4.2 1.7 assign (resid 86 and name HA ) (resid 138 and name HAF# ) 3.0 3.0 1.2 assign (resid 86 and name HA ) (resid 83 and (name HG1 or name HG2 )) 3.6 3.6 1.5 assign (resid 86 and name HA ) (resid 86 and (name HB1 or name HB2 )) 3.7 3.7 1.5 assign (resid 86 and name HA ) (resid 86 and (name HB2 or name HB1 )) 3.5 3.5 1.4 assign (resid 86 and name HA ) (resid 86 and name HN ) 3.5 3.5 1.4 assign (resid 86 and (name HB1 or name HB2 )) (resid 87 and (name HG2# or name HD1# )) 3.7 3.7 1.5 assign (resid 86 and (name HB2 or name HB1 )) (resid 87 and (name HG2# or name HD1# )) 4.2 4.2 1.7 assign (resid 87 and name HA ) (resid 87 and (name HD1# or name HG2# )) 4.3 4.3 1.7 assign (resid 87 and name HA ) (resid 87 and (name HG2# or name HD1# )) 3.2 3.2 1.3 assign (resid 87 and name HB ) (resid 87 and (name HD1# or name HG2# )) 3.3 3.3 1.3 assign (resid 87 and name HB ) (resid 87 and (name HG2# or name HD1# )) 2.9 2.9 1.2 assign (resid 87 and (name HD1# or name HG2# )) (resid 165 and (name HD2# or name HD1# )) 4.1 4.1 1.7 assign (resid 87 and (name HD1# or name HG2# )) (resid 87 and (name HG11 or name HG12 )) 3.1 3.1 1.2 assign (resid 87 and (name HD1# or name HG2# )) (resid 87 and name HN ) 4.0 4.0 1.6 assign (resid 87 and (name HG11 or name HG12 )) (resid 87 and (name HG2# or name HD1# )) 3.3 3.3 1.3 assign (resid 87 and (name HG2# or name HD1# )) (resid 87 and name HN ) 3.6 3.6 1.4 assign (resid 87 and (name HG2# or name HD1# )) (resid 91 and name HN ) 4.2 4.2 1.7 assign (resid 87 and (name HG2# or name HD1# )) (resid 95 and (name HB2 or name HB1 )) 4.0 4.0 1.6 assign (resid 90 and name HA ) (resid 90 and (name HB1 or name HB2 )) 3.0 3.0 1.2 assign (resid 90 and name HA ) (resid 90 and (name HB2 or name HB1 )) 2.8 2.8 1.1 assign (resid 90 and (name HB2 or name HB1 )) (resid 91 and name HN ) 4.1 4.1 1.6 assign (resid 90 and (name HG2 or name HG1 )) (resid 91 and name HN ) 4.4 4.4 1.8 assign (resid 91 and name HA ) (resid 91 and name HB# ) 2.8 2.8 1.1 assign (resid 91 and name HA ) (resid 91 and name HN ) 3.2 3.2 1.3 assign (resid 91 and name HB# ) (resid 91 and name HN ) 3.1 3.1 1.3 assign (resid 91 and name HB# ) (resid 92 and name HN ) 3.5 3.5 1.4 assign (resid 94 and (name HD1# or name HD2# )) (resid 91 and name HA ) 3.2 3.2 1.3 assign (resid 94 and (name HD2# or name HD1# )) (resid 95 and (name HD1 or name HD2 )) 4.1 4.1 1.6 assign (resid 95 and name HA ) (resid 95 and (name HD1 or name HD2 )) 4.4 4.4 1.7 assign (resid 95 and (name HB1 or name HB2 )) (resid 153 and (name HG1# or name HG2# )) 4.4 4.4 1.8 assign (resid 95 and (name HB2 or name HB1 )) (resid 95 and (name HD1 or name HD2 )) 4.6 4.6 1.8 assign (resid 97 and name HA ) (resid 97 and (name HB1 or name HB2 )) 2.9 2.9 1.2 assign (resid 97 and name HA ) (resid 97 and (name HB2 or name HB1 )) 3.1 3.1 1.2 assign (resid 97 and name HA ) (resid 97 and (name HD1# or name HD2# )) 2.5 2.5 1.0 assign (resid 97 and (name HB1 or name HB2 )) (resid 97 and name HN ) 4.0 4.0 1.6 assign (resid 97 and (name HB2 or name HB1 )) (resid 97 and name HN ) 3.9 3.9 1.5 assign (resid 97 and (name HB2 or name HB1 )) (resid 98 and name HN ) 4.6 4.6 1.8 assign (resid 97 and (name HD1# or name HD2# )) (resid 97 and name HG ) 2.1 2.1 0.8 assign (resid 97 and name HG ) (resid 125 and name HN ) 3.5 1.4 1.4 assign (resid 97 and name HG ) (resid 97 and name HN ) 4.0 4.0 1.6 assign (resid 97 and name HN ) (resid 95 and name HA ) 3.8 1.5 1.5 assign (resid 98 and name HA ) (resid 98 and name HB# ) 3.3 3.3 1.3 assign (resid 98 and name HB# ) (resid 98 and name HN ) 3.6 3.6 1.5 assign (resid 99 and name HA ) (resid 95 and (name HB2 or name HB1 )) 2.9 2.9 1.2 assign (resid 99 and name HA ) (resid 99 and (name HG1 or name HG2 )) 3.7 3.7 1.5 assign (resid 99 and name HA ) (resid 99 and (name HG2 or name HG1 )) 3.3 3.3 1.3 assign (resid 99 and name HA ) (resid 99 and name HN ) 3.1 3.1 1.2 assign (resid 99 and name HE21 ) (resid 99 and (name HG2 or name HG1 )) 3.8 3.8 1.5 assign (resid 99 and (name HG2 or name HG1 )) (resid 95 and name HA ) 2.5 2.5 1.0 assign (resid 100 and name HA ) (resid 100 and name HB ) 2.7 2.7 1.1 assign (resid 102 and name HA ) (resid 103 and (name HD1# or name HG2# )) 4.6 4.6 1.8 assign (resid 102 and name HA ) (resid 151 and name HN ) 4.3 1.7 1.7 !added 1A to 3.3 1.3 1.3 assign (resid 102 and name HB ) (resid 102 and name HN ) 4.3 4.3 1.7 assign (resid 102 and name HB ) (resid 152 and (name HD2# or name HD1# )) 4.2 4.2 1.7 assign (resid 102 and (name HG1# or name HG2# )) (resid 102 and name HN ) 3.5 3.5 1.4 assign (resid 102 and (name HG1# or name HG2# )) (resid 103 and name HA ) 3.0 3.0 1.2 assign (resid 102 and (name HG1# or name HG2# )) (resid 103 and name HN ) 3.6 3.6 1.4 assign (resid 102 and (name HG1# or name HG2# )) (resid 104 and name HN ) 3.5 3.5 1.4 assign (resid 102 and (name HG1# or name HG2# )) (resid 152 and (name HD1# or name HD2# )) 2.3 2.3 0.9 !assign (resid 102 and name HN ) (resid 135 and (name HG1# or name HG2# )) 2.7 2.7 1.1 assign (resid 103 and name HA ) (resid 103 and (name HD1# or name HG2# )) 3.8 3.8 1.5 assign (resid 103 and name HA ) (resid 103 and (name HG11 or name HG12 )) 4.6 4.6 1.8 assign (resid 103 and name HA ) (resid 103 and (name HG2# or name HD1# )) 3.1 3.1 1.2 assign (resid 103 and name HA ) (resid 104 and (name HG1# or name HG2# )) 3.7 3.7 1.5 assign (resid 103 and name HA ) (resid 104 and name HN ) 3.4 1.4 1.4 assign (resid 103 and name HA ) (resid 143 and (name HD2# or name HD1# )) 4.3 4.3 1.7 assign (resid 103 and name HB ) (resid 103 and (name HD1# or name HG2# )) 2.8 2.8 1.1 assign (resid 103 and name HB ) (resid 103 and (name HG2# or name HD1# )) 2.6 2.6 1.1 assign (resid 103 and name HB ) (resid 151 and (name HB1 or name HB2 )) 4.4 4.4 1.8 assign (resid 103 and (name HD1# or name HG2# )) (resid 103 and (name HG11 or name HG12 )) 2.7 2.7 1.1 assign (resid 103 and (name HD1# or name HG2# )) (resid 103 and name HN ) 3.8 3.8 1.5 assign (resid 103 and (name HD1# or name HG2# )) (resid 135 and (name HG1# or name HG2# )) 1.8 1.8 0.7 assign (resid 103 and (name HD1# or name HG2# )) (resid 143 and (name HD2# or name HD1# )) 2.8 2.8 1.1 assign (resid 103 and (name HD1# or name HG2# )) (resid 176 and (name HE1 or name HE2 )) 3.5 3.5 1.4 assign (resid 103 and (name HG11 or name HG12 )) (resid 153 and (name HG1# or name HG2# )) 2.7 2.7 1.1 assign (resid 103 and (name HG12 or name HG11 )) (resid 103 and (name HG2# or name HD1# )) 2.6 2.6 1.1 assign (resid 103 and (name HG12 or name HG11 )) (resid 135 and (name HG1# or name HG2# )) 2.6 2.6 1.1 assign (resid 103 and (name HG12 or name HG11 )) (resid 152 and name HA ) 4.4 4.4 1.8 assign (resid 103 and (name HG2# or name HD1# )) (resid 104 and name HN ) 3.2 3.2 1.3 assign (resid 103 and (name HG2# or name HD1# )) (resid 135 and name HB ) 3.8 3.8 1.5 assign (resid 104 and name HA ) (resid 104 and name HB ) 3.6 3.6 1.4 assign (resid 104 and name HA ) (resid 104 and (name HG1# or name HG2# )) 3.2 3.2 1.3 assign (resid 104 and name HA ) (resid 104 and (name HG2# or name HG1# )) 3.5 3.5 1.4 assign (resid 104 and name HB ) (resid 104 and (name HG1# or name HG2# )) 2.8 2.8 1.1 assign (resid 104 and name HB ) (resid 104 and (name HG2# or name HG1# )) 2.9 2.9 1.2 assign (resid 104 and (name HG1# or name HG2# )) (resid 105 and name HN ) 3.8 3.8 1.5 assign (resid 104 and (name HG1# or name HG2# )) (resid 108 and name HB# ) 2.5 2.5 1.0 assign (resid 104 and (name HG2# or name HG1# )) (resid 104 and name HN ) 4.1 4.1 1.7 assign (resid 104 and (name HG2# or name HG1# )) (resid 105 and name HN ) 3.3 3.3 1.3 assign (resid 104 and (name HG2# or name HG1# )) (resid 106 and name HN ) 4.0 4.0 1.6 assign (resid 105 and name HA ) (resid 105 and name HN ) 3.2 3.2 1.3 assign (resid 105 and name HA ) (resid 108 and name HN ) 3.0 1.2 1.2 assign (resid 105 and name HA ) (resid 143 and (name HD2# or name HD1# )) 3.6 3.6 1.4 assign (resid 105 and (name HB1 or name HB2 )) (resid 149 and name HB# ) 3.6 3.6 1.5 assign (resid 105 and name HN ) (resid 107 and (name HG2 or name HG1 )) 3.1 3.1 1.2 assign (resid 105 and name HN ) (resid 108 and name HB# ) 3.3 3.3 1.3 assign (resid 106 and name HA ) (resid 107 and (name HG2 or name HG1 )) 3.7 3.7 1.5 assign (resid 106 and (name HG2# or name HG1# )) (resid 109 and name HA ) 3.7 3.7 1.5 assign (resid 107 and name HA ) (resid 107 and (name HG1 or name HG2 )) 2.6 2.6 1.1 assign (resid 107 and (name HG2 or name HG1 )) (resid 149 and name HB# ) 3.3 3.3 1.3 assign (resid 108 and name HA ) (resid 107 and (name HB1 or name HB2 )) 4.1 4.1 1.7 assign (resid 108 and name HA ) (resid 107 and (name HG1 or name HG2 )) 4.2 4.2 1.7 assign (resid 108 and name HA ) (resid 108 and name HB# ) 2.2 2.2 0.9 assign (resid 108 and name HA ) (resid 108 and name HN ) 2.9 1.2 1.2 assign (resid 108 and name HB# ) (resid 107 and (name HB1 or name HB2 )) 3.2 3.2 1.3 assign (resid 108 and name HB# ) (resid 108 and name HN ) 2.4 2.4 1.0 assign (resid 108 and name HB# ) (resid 110 and name HA ) 4.0 4.0 1.6 assign (resid 109 and name HA ) (resid 109 and (name HG1 or name HG2 )) 3.5 3.5 1.4 assign (resid 110 and name HA ) (resid 110 and name HN ) 3.9 1.5 1.5 assign (resid 110 and name HA ) (resid 111 and name HN ) 3.6 1.4 1.4 assign (resid 110 and name HA ) (resid 134 and name HA ) 3.9 1.6 1.6 assign (resid 111 and name HA ) (resid 112 and (name HB2 or name HB1 )) 4.6 4.6 1.8 assign (resid 111 and name HA ) (resid 112 and name HN ) 3.6 1.4 1.4 !assign (resid 111 and name HA ) (resid 113 and (name HG11 or name HG12 )) 3.8 3.8 1.5 assign (resid 111 and name HA ) (resid 135 and (name HG1# or name HG2# )) 3.9 3.9 1.6 assign (resid 112 and name HA ) (resid 112 and (name HB1 or name HB2 )) 3.7 3.7 1.5 assign (resid 112 and name HA ) (resid 112 and (name HB2 or name HB1 )) 4.0 4.0 1.6 assign (resid 113 and name HA ) (resid 113 and name HB ) 4.2 4.2 1.7 assign (resid 113 and name HA ) (resid 113 and (name HD1# or name HG2# )) 4.3 4.3 1.7 assign (resid 113 and name HA ) (resid 113 and (name HG2# or name HD1# )) 3.3 3.3 1.3 assign (resid 113 and name HA ) (resid 114 and name HN ) 4.0 1.6 1.6 assign (resid 113 and name HB ) (resid 113 and (name HD1# or name HG2# )) 3.1 3.1 1.2 assign (resid 113 and name HB ) (resid 113 and (name HG2# or name HD1# )) 2.9 2.9 1.2 !assign (resid 113 and name HB ) (resid 138 and (name HB1 or name HB2 )) 2.2 2.2 0.9 assign (resid 113 and (name HD1# or name HG2# )) (resid 113 and (name HG11 or name HG12 )) 3.0 3.0 1.2 assign (resid 113 and (name HD1# or name HG2# )) (resid 113 and (name HG12 or name HG11 )) 3.2 3.2 1.3 assign (resid 113 and (name HG2# or name HD1# )) (resid 136 and name HA ) 3.7 3.7 1.5 assign (resid 113 and (name HG2# or name HD1# )) (resid 137 and (name HB2 or name HB1 )) 4.1 4.1 1.6 assign (resid 114 and name HA ) (resid 114 and (name HB1 or name HB2 )) 3.5 3.5 1.4 assign (resid 123 and name HB# ) (resid 124 and (name HB2 or name HB1 )) 2.7 2.7 1.1 assign (resid 124 and name HA ) (resid 124 and (name HB2 or name HB1 )) 3.1 3.1 1.2 assign (resid 124 and name HA ) (resid 124 and (name HD1 or name HD2 )) 3.6 3.6 1.4 assign (resid 124 and (name HD1 or name HD2 )) (resid 126 and (name HD1 or name HD2 )) 4.1 4.1 1.6 assign (resid 124 and (name HD1 or name HD2 )) (resid 126 and (name HD2 or name HD1 )) 4.1 4.1 1.6 assign (resid 124 and (name HG1 or name HG2 )) (resid 126 and name HA ) 3.4 3.4 1.4 assign (resid 125 and name HA ) (resid 125 and name HB ) 2.5 2.5 1.0 assign (resid 125 and name HA ) (resid 125 and (name HG1# or name HG2# )) 3.3 3.3 1.3 assign (resid 125 and name HA ) (resid 125 and (name HG2# or name HG1# )) 3.1 3.1 1.2 assign (resid 125 and name HA ) (resid 126 and (name HD2 or name HD1 )) 3.1 3.1 1.2 assign (resid 125 and name HB ) (resid 125 and (name HG2# or name HG1# )) 2.4 2.4 1.0 assign (resid 125 and name HB ) (resid 128 and (name HA1 or name HA2 )) 4.1 4.1 1.6 assign (resid 125 and (name HG1# or name HG2# )) (resid 125 and name HN ) 3.5 3.5 1.4 assign (resid 125 and (name HG2# or name HG1# )) (resid 126 and (name HD1 or name HD2 )) 3.6 3.6 1.5 assign (resid 125 and (name HG2# or name HG1# )) (resid 126 and (name HD2 or name HD1 )) 2.9 2.9 1.2 assign (resid 125 and (name HG2# or name HG1# )) (resid 128 and (name HA1 or name HA2 )) 3.9 3.9 1.6 assign (resid 126 and name HA ) (resid 126 and (name HB1 or name HB2 )) 2.8 2.8 1.1 assign (resid 126 and name HA ) (resid 126 and (name HB2 or name HB1 )) 2.9 2.9 1.2 assign (resid 126 and (name HB1 or name HB2 )) (resid 126 and (name HD1 or name HD2 )) 3.5 3.5 1.4 assign (resid 126 and (name HB1 or name HB2 )) (resid 128 and (name HA1 or name HA2 )) 4.2 4.2 1.7 assign (resid 126 and (name HB2 or name HB1 )) (resid 128 and (name HA1 or name HA2 )) 4.2 4.2 1.7 assign (resid 126 and (name HD1 or name HD2 )) (resid 126 and (name HG1 or name HG2 )) 2.5 2.5 1.0 assign (resid 126 and (name HD2 or name HD1 )) (resid 126 and (name HG1 or name HG2 )) 2.5 2.5 1.0 assign (resid 127 and (name HB1 or name HB2 )) (resid 128 and (name HA1 or name HA2 )) 3.6 3.6 1.4 !assign (resid 127 and (name HB1 or name HB2 )) (resid 130 and (name HD1 or name HD2 )) 3.0 3.0 1.2 !assign (resid 128 and (name HA1 or name HA2 )) (resid 131 and name HN ) 4.2 4.2 1.7 assign (resid 129 and name HN ) (resid 130 and (name HD1 or name HD2 )) 4.4 4.4 1.8 assign (resid 130 and (name HB2 or name HB1 )) (resid 131 and name HN ) 4.2 4.2 1.7 assign (resid 130 and (name HD1 or name HD2 )) (resid 130 and (name HG1 or name HG2 )) 2.5 2.5 1.0 assign (resid 131 and (name HB1 or name HB2 )) (resid 131 and name HN ) 3.6 3.6 1.4 assign (resid 132 and name HA ) (resid 132 and (name HB1 or name HB2 )) 4.0 4.0 1.6 assign (resid 132 and name HA ) (resid 132 and (name HG1 or name HG2 )) 4.3 4.3 1.7 assign (resid 132 and name HA ) (resid 133 and name HN ) 4.1 1.6 1.6 assign (resid 132 and (name HB1 or name HB2 )) (resid 132 and (name HG1 or name HG2 )) 2.0 2.0 0.8 assign (resid 132 and name HE21 ) (resid 132 and (name HG1 or name HG2 )) 3.1 3.1 1.2 !assign (resid 132 and (name HG1 or name HG2 )) (resid 101 and name HN ) 3.3 3.3 1.3 assign (resid 132 and (name HG1 or name HG2 )) (resid 133 and name HN ) 3.9 3.9 1.5 !assign (resid 132 and (name HG2 or name HG1 )) (resid 130 and (name HD2 or name HD1 )) 3.5 3.5 1.4 assign (resid 133 and name HN ) (resid 134 and (name HB2 or name HB1 )) 4.2 4.2 1.7 assign (resid 134 and name HA ) (resid 134 and (name HB1 or name HB2 )) 3.9 3.9 1.6 assign (resid 134 and name HA ) (resid 134 and (name HB2 or name HB1 )) 4.6 4.6 1.8 assign (resid 134 and name HA ) (resid 135 and name HN ) 3.5 1.4 1.4 assign (resid 135 and name HA ) (resid 136 and name HN ) 3.5 1.4 1.4 assign (resid 135 and (name HG1# or name HG2# )) (resid 140 and name HA ) 4.1 4.1 1.7 assign (resid 136 and name HA ) (resid 137 and (name HD1 or name HD2 )) 3.3 3.3 1.3 assign (resid 136 and name HA ) (resid 137 and (name HD2 or name HD1 )) 3.3 3.3 1.3 assign (resid 136 and name HA ) (resid 137 and (name HG1 or name HG2 )) 3.5 3.5 1.4 assign (resid 137 and name HA ) (resid 137 and (name HB1 or name HB2 )) 2.8 2.8 1.1 assign (resid 137 and name HA ) (resid 137 and (name HB2 or name HB1 )) 2.6 2.6 1.0 assign (resid 137 and name HA ) (resid 137 and (name HG1 or name HG2 )) 3.0 3.0 1.2 assign (resid 137 and name HA ) (resid 140 and (name HG1# or name HG2# )) 2.9 2.9 1.2 assign (resid 137 and name HA ) (resid 140 and name HN ) 3.8 1.5 1.5 assign (resid 137 and name HA ) (resid 141 and name HN ) 4.2 1.7 1.7 assign (resid 137 and (name HB1 or name HB2 )) (resid 137 and (name HD1 or name HD2 )) 4.1 4.1 1.6 assign (resid 137 and (name HB1 or name HB2 )) (resid 137 and (name HD2 or name HD1 )) 4.3 4.3 1.7 assign (resid 137 and (name HD1 or name HD2 )) (resid 137 and (name HG1 or name HG2 )) 3.0 3.0 1.2 assign (resid 138 and name HAA# ) (resid 167 and (name HG1# or name HG2# )) 3.0 3.0 1.2 assign (resid 139 and name HA ) (resid 140 and (name HG1# or name HG2# )) 4.2 4.2 1.7 assign (resid 139 and name HA ) (resid 140 and name HN ) 4.0 1.6 1.6 assign (resid 139 and name HE1 ) (resid 106 and name HA ) 4.5 1.8 1.8 assign (resid 140 and name HA ) (resid 140 and name HB ) 3.5 3.5 1.4 assign (resid 140 and name HA ) (resid 140 and (name HG1# or name HG2# )) 2.5 2.5 1.0 assign (resid 140 and name HA ) (resid 143 and (name HB1 or name HB2 )) 4.2 4.2 1.7 assign (resid 140 and name HA ) (resid 143 and (name HD1# or name HD2# )) 4.2 4.2 1.7 assign (resid 140 and name HB ) (resid 140 and (name HG1# or name HG2# )) 2.7 2.7 1.1 assign (resid 140 and name HB ) (resid 140 and name HN ) 3.8 3.8 1.5 assign (resid 140 and (name HG1# or name HG2# )) (resid 140 and name HN ) 3.5 3.5 1.4 assign (resid 140 and (name HG1# or name HG2# )) (resid 141 and name HN ) 3.4 3.4 1.3 assign (resid 141 and (name HB1 or name HB2 )) (resid 141 and name HN ) 3.3 3.3 1.3 assign (resid 141 and (name HB1 or name HB2 )) (resid 144 and (name HB1 or name HB2 )) 4.5 4.5 1.8 assign (resid 141 and name HD2 ) (resid 142 and name HA ) 4.5 1.8 1.8 assign (resid 142 and name HA ) (resid 142 and (name HE1 or name HE2 )) 4.8 4.8 1.9 assign (resid 142 and name HA ) (resid 143 and name HN ) 3.9 1.6 1.6 assign (resid 142 and (name HE1 or name HE2 )) (resid 146 and name HE# ) 2.8 2.8 1.1 assign (resid 142 and name HN ) (resid 146 and name HE# ) 4.2 4.2 1.7 assign (resid 143 and name HA ) (resid 143 and (name HB1 or name HB2 )) 3.4 3.4 1.4 assign (resid 143 and name HA ) (resid 143 and (name HB2 or name HB1 )) 3.2 3.2 1.3 assign (resid 143 and name HA ) (resid 143 and (name HD1# or name HD2# )) 3.2 3.2 1.3 assign (resid 143 and name HA ) (resid 143 and (name HD2# or name HD1# )) 2.7 2.7 1.1 assign (resid 143 and name HA ) (resid 143 and name HG ) 3.6 3.6 1.4 assign (resid 143 and name HA ) (resid 143 and name HN ) 4.0 4.0 1.6 assign (resid 143 and name HA ) (resid 146 and name HE# ) 3.0 3.0 1.2 assign (resid 143 and (name HB1 or name HB2 )) (resid 143 and (name HD1# or name HD2# )) 3.7 3.7 1.5 assign (resid 143 and (name HB1 or name HB2 )) (resid 143 and (name HD2# or name HD1# )) 2.8 2.8 1.1 assign (resid 143 and (name HB2 or name HB1 )) (resid 143 and (name HD1# or name HD2# )) 3.3 3.3 1.3 assign (resid 143 and (name HB2 or name HB1 )) (resid 143 and (name HD2# or name HD1# )) 4.1 4.1 1.6 assign (resid 143 and (name HB2 or name HB1 )) (resid 144 and name HA ) 2.9 2.9 1.2 assign (resid 143 and (name HB2 or name HB1 )) (resid 144 and (name HB1 or name HB2 )) 3.4 3.4 1.3 assign (resid 143 and (name HD1# or name HD2# )) (resid 143 and name HG ) 3.6 3.6 1.4 assign (resid 143 and (name HD1# or name HD2# )) (resid 146 and name HE# ) 2.5 2.5 1.0 assign (resid 143 and (name HD1# or name HD2# )) (resid 151 and (name HB2 or name HB1 )) 4.4 4.4 1.8 assign (resid 143 and (name HD1# or name HD2# )) (resid 167 and (name HG2# or name HG1# )) 3.1 3.1 1.2 assign (resid 143 and (name HD2# or name HD1# )) (resid 143 and name HG ) 2.6 2.6 1.0 assign (resid 143 and (name HD2# or name HD1# )) (resid 143 and name HN ) 3.6 3.6 1.4 assign (resid 143 and (name HD2# or name HD1# )) (resid 146 and name HE# ) 2.4 2.4 0.9 assign (resid 143 and (name HD2# or name HD1# )) (resid 151 and (name HB2 or name HB1 )) 3.9 3.9 1.6 assign (resid 143 and (name HD2# or name HD1# )) (resid 169 and name HD2 ) 4.1 4.1 1.6 assign (resid 143 and name HN ) (resid 146 and name HE# ) 3.6 3.6 1.5 assign (resid 144 and name HA ) (resid 144 and (name HB1 or name HB2 )) 2.2 2.2 0.9 assign (resid 144 and name HA ) (resid 144 and (name HD1 or name HD2 )) 2.4 2.4 1.0 assign (resid 144 and name HA ) (resid 144 and (name HG1 or name HG2 )) 3.2 3.2 1.3 assign (resid 144 and name HA ) (resid 144 and (name HG2 or name HG1 )) 3.7 3.7 1.5 assign (resid 144 and name HA ) (resid 144 and name HN ) 3.0 3.0 1.2 assign (resid 144 and (name HB1 or name HB2 )) (resid 144 and (name HE1 or name HE2 )) 3.8 3.8 1.5 assign (resid 144 and (name HB1 or name HB2 )) (resid 144 and (name HG1 or name HG2 )) 2.6 2.6 1.1 assign (resid 144 and (name HB1 or name HB2 )) (resid 144 and name HN ) 3.2 3.2 1.3 assign (resid 144 and (name HB1 or name HB2 )) (resid 145 and name HA ) 3.0 3.0 1.2 assign (resid 144 and (name HB1 or name HB2 )) (resid 145 and name HN ) 3.5 3.5 1.4 assign (resid 144 and (name HD1 or name HD2 )) (resid 144 and (name HE1 or name HE2 )) 2.5 2.5 1.0 assign (resid 144 and (name HD1 or name HD2 )) (resid 144 and (name HG1 or name HG2 )) 2.3 2.3 0.9 assign (resid 144 and (name HD1 or name HD2 )) (resid 144 and name HN ) 4.2 4.2 1.7 assign (resid 144 and (name HE1 or name HE2 )) (resid 144 and (name HG1 or name HG2 )) 3.1 3.1 1.3 assign (resid 144 and (name HE1 or name HE2 )) (resid 144 and (name HG2 or name HG1 )) 3.5 3.5 1.4 assign (resid 144 and (name HG1 or name HG2 )) (resid 145 and name HA ) 4.0 4.0 1.6 assign (resid 145 and name HA ) (resid 146 and name HN ) 4.5 1.8 1.8 assign (resid 145 and name HN ) (resid 145 and name HA ) 3.5 1.4 1.4 assign (resid 145 and name HN ) (resid 145 and (name HB1 or name HB2 )) 4.1 4.1 1.6 assign (resid 146 and name HE# ) (resid 82 and (name HD1 or name HD2 )) 3.5 3.5 1.4 !added 1.0A to 2.5 2.5 1.0 ovl assign (resid 146 and name HE# ) (resid 82 and (name HE1 or name HE2 )) 3.1 3.1 1.2 assign (resid 147 and (name HA1 or name HA2 )) (resid 147 and name HN ) 3.4 3.4 1.4 assign (resid 147 and (name HA2 or name HA1 )) (resid 147 and name HN ) 3.3 3.3 1.3 assign (resid 147 and (name HA2 or name HA1 )) (resid 148 and name HN ) 4.3 4.3 1.7 assign (resid 148 and name HA ) (resid 148 and (name HG2# or name HG1# )) 3.4 3.4 1.4 assign (resid 148 and name HA ) (resid 149 and name HN ) 3.9 1.5 1.5 assign (resid 148 and name HA ) (resid 150 and name HN ) 4.3 1.7 1.7 assign (resid 148 and name HA ) (resid 170 and name HD2 ) 4.4 1.7 1.7 assign (resid 148 and name HA ) (resid 171 and name HA ) 2.3 0.9 0.9 assign (resid 149 and name HA ) (resid 149 and name HB# ) 2.4 2.4 1.0 assign (resid 149 and name HB# ) (resid 149 and name HN ) 3.0 3.0 1.2 assign (resid 149 and name HB# ) (resid 150 and name HN ) 3.4 3.4 1.4 assign (resid 149 and name HB# ) (resid 172 and name HN ) 4.0 4.0 1.6 assign (resid 151 and name HA ) (resid 151 and (name HB2 or name HB1 )) 4.6 4.6 1.8 assign (resid 151 and name HA ) (resid 152 and (name HD2# or name HD1# )) 4.1 4.1 1.7 assign (resid 151 and name HA ) (resid 152 and name HN ) 3.6 1.5 1.5 assign (resid 152 and name HA ) (resid 152 and (name HB2 or name HB1 )) 4.2 4.2 1.7 assign (resid 152 and name HA ) (resid 152 and (name HD1# or name HD2# )) 4.1 4.1 1.7 assign (resid 152 and name HA ) (resid 152 and (name HD2# or name HD1# )) 3.0 3.0 1.2 assign (resid 152 and name HA ) (resid 152 and (name HD2# or name HD1# )) 3.6 3.6 1.4 assign (resid 152 and name HA ) (resid 152 and name HG ) 4.1 4.1 1.6 assign (resid 152 and name HA ) (resid 153 and name HN ) 3.6 1.4 1.4 assign (resid 152 and name HA ) (resid 167 and (name HG1# or name HG2# )) 4.5 4.5 1.8 assign (resid 152 and (name HB1 or name HB2 )) (resid 152 and (name HD1# or name HD2# )) 3.0 3.0 1.2 assign (resid 152 and (name HB1 or name HB2 )) (resid 168 and name HA ) 4.2 4.2 1.7 assign (resid 152 and (name HB2 or name HB1 )) (resid 152 and (name HD2# or name HD1# )) 3.9 3.9 1.6 assign (resid 152 and (name HD1# or name HD2# )) (resid 152 and name HG ) 2.5 2.5 1.0 assign (resid 152 and (name HD1# or name HD2# )) (resid 152 and name HN ) 4.3 4.3 1.7 assign (resid 152 and (name HD1# or name HD2# )) (resid 168 and (name HB1 or name HB2 )) 3.9 3.9 1.6 assign (resid 152 and (name HD1# or name HD2# )) (resid 168 and (name HB2 or name HB1 )) 3.8 3.8 1.5 assign (resid 152 and (name HD1# or name HD2# )) (resid 168 and name HN ) 3.8 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or name HD1# )) 3.6 3.6 1.4 assign (resid 155 and (name HB1 or name HB2 )) (resid 155 and (name HG1 or name HG2 )) 3.3 3.3 1.3 !assign (resid 155 and (name HG1 or name HG2 )) (resid 100 and name HA ) 3.3 3.3 1.3 assign (resid 156 and (name HB1 or name HB2 )) (resid 156 and (name HD1# or name HD2# )) 3.2 3.2 1.3 assign (resid 156 and (name HB1 or name HB2 )) (resid 191 and name HB ) 4.0 4.0 1.6 assign (resid 157 and name HA ) (resid 157 and (name HB2 or name HB1 )) 3.0 3.0 1.2 assign (resid 157 and name HA ) (resid 157 and name HE# ) 2.9 2.9 1.1 assign (resid 157 and name HA ) (resid 157 and (name HG1 or name HG2 )) 3.6 3.6 1.5 assign (resid 157 and name HA ) (resid 157 and (name HG2 or name HG1 )) 3.2 3.2 1.3 assign (resid 157 and name HA ) (resid 157 and name HN ) 3.9 3.9 1.5 assign (resid 157 and name HA ) (resid 162 and name HA ) 3.6 1.4 1.4 assign (resid 157 and name HA ) (resid 163 and (name HB1 or name HB2 )) 3.9 3.9 1.6 assign (resid 157 and (name HB1 or name HB2 )) (resid 157 and name HN ) 4.3 4.3 1.7 assign (resid 157 and (name HB1 or name HB2 )) (resid 162 and name HA ) 3.9 3.9 1.5 assign (resid 157 and name HE# ) (resid 157 and (name HG1 or name HG2 )) 2.5 2.5 1.0 assign (resid 157 and name HE# ) (resid 157 and (name HG2 or name HG1 )) 2.3 2.3 0.9 assign (resid 157 and name HE# ) (resid 157 and name HN ) 3.2 3.2 1.3 assign (resid 157 and name HE# ) (resid 158 and name HN ) 3.0 3.0 1.2 assign (resid 157 and name HE# ) (resid 160 and name HA ) 2.3 2.3 0.9 assign (resid 157 and name HE# ) (resid 161 and name HA ) 3.2 3.2 1.3 assign (resid 157 and name HE# ) (resid 161 and name HN ) 3.1 3.1 1.2 assign (resid 157 and name HE# ) (resid 162 and name HA ) 3.2 3.2 1.3 assign (resid 158 and name HD2 ) (resid 196 and name HA ) 3.4 1.4 1.4 assign (resid 158 and name HE1 ) (resid 196 and name HA ) 3.7 1.5 1.5 assign (resid 160 and name HE21 ) (resid 161 and (name HG2 or name HG1 )) 4.1 4.1 1.6 assign (resid 161 and name HA ) (resid 161 and name HN ) 3.6 3.6 1.4 assign (resid 161 and (name HB1 or name HB2 )) (resid 161 and name HN ) 3.3 3.3 1.3 assign (resid 161 and (name HG1 or name HG2 )) (resid 161 and name HA ) 3.1 3.1 1.2 assign (resid 161 and (name HG1 or name HG2 )) (resid 161 and (name HB1 or name HB2 )) 2.0 2.0 0.8 assign (resid 161 and (name HG1 or name HG2 )) (resid 161 and name HN ) 3.3 3.3 1.3 assign (resid 161 and (name HG1 or name HG2 )) (resid 162 and name HN ) 3.6 3.6 1.4 assign (resid 161 and (name HG1 or name HG2 )) (resid 163 and name HZ2 ) 2.7 2.7 1.1 assign (resid 161 and (name HG2 or name HG1 )) (resid 161 and name HN ) 3.2 3.2 1.3 assign (resid 161 and (name HG2 or name HG1 )) (resid 162 and name HN ) 3.7 3.7 1.5 assign (resid 162 and name HN ) (resid 157 and name HE# ) 3.6 3.6 1.5 assign (resid 162 and name HN ) (resid 161 and name HA ) 3.0 1.2 1.2 assign (resid 162 and name HN ) (resid 161 and (name HB1 or name HB2 )) 3.7 3.7 1.5 assign (resid 166 and name HA ) (resid 166 and (name HD1# or name HD2# )) 3.1 3.1 1.2 assign (resid 166 and name HA ) (resid 166 and (name HD2# or name HD1# )) 3.7 3.7 1.5 assign (resid 166 and (name HB1 or name HB2 )) (resid 166 and (name HD1# or name HD2# )) 3.5 3.5 1.4 assign (resid 166 and (name HD1# or name HD2# )) (resid 166 and name HG ) 2.6 2.6 1.0 assign (resid 166 and (name HD1# or name HD2# )) (resid 167 and name HN ) 3.4 3.4 1.3 assign (resid 166 and (name HD2# or name HD1# )) (resid 166 and name HG ) 2.4 2.4 1.0 assign (resid 166 and (name HD2# or name HD1# )) (resid 167 and name HB ) 3.4 3.4 1.4 assign (resid 166 and (name HD2# or name HD1# )) (resid 167 and name HN ) 4.6 4.6 1.8 assign (resid 166 and (name HD2# or name HD1# )) (resid 168 and (name HB2 or name HB1 )) 4.4 4.4 1.7 assign (resid 167 and name HB ) (resid 167 and (name HG1# or name HG2# )) 2.8 2.8 1.1 assign (resid 167 and name HB ) (resid 167 and (name HG2# or name HG1# )) 2.9 2.9 1.1 assign (resid 167 and (name HG1# or name HG2# )) (resid 153 and (name HG2# or name HG1# )) 2.6 2.6 1.0 assign (resid 167 and (name HG1# or name HG2# )) (resid 168 and name HN ) 3.4 3.4 1.4 assign (resid 167 and (name HG2# or name HG1# )) (resid 153 and (name HG1# or name HG2# )) 2.4 2.4 1.0 assign (resid 167 and (name HG2# or name HG1# )) (resid 153 and (name HG2# or name HG1# )) 2.8 2.8 1.1 assign (resid 167 and (name HG2# or name HG1# )) (resid 168 and name HN ) 3.2 3.2 1.3 assign (resid 168 and name HA ) (resid 168 and (name HB2 or name HB1 )) 4.7 4.7 1.9 assign (resid 170 and name HA ) (resid 171 and name HB# ) 3.3 3.3 1.3 assign (resid 171 and name HB# ) (resid 171 and name HN ) 2.9 2.9 1.2 assign (resid 171 and name HB# ) (resid 172 and name HN ) 3.4 3.4 1.4 assign (resid 175 and name HA ) (resid 175 and (name HB1 or name HB2 )) 2.8 2.8 1.1 assign (resid 175 and name HA ) (resid 175 and (name HB2 or name HB1 )) 2.9 2.9 1.2 assign (resid 175 and name HA ) (resid 176 and name HN ) 2.6 1.0 1.0 assign (resid 175 and (name HB1 or name HB2 )) (resid 176 and name HN ) 3.9 3.9 1.5 assign (resid 175 and (name HB2 or name HB1 )) (resid 176 and name HN ) 3.7 3.7 1.5 assign (resid 176 and name HA ) (resid 176 and (name HB2 or name HB1 )) 3.8 3.8 1.5 assign (resid 176 and (name HB1 or name HB2 )) (resid 176 and (name HD1 or name HD2 )) 4.3 4.3 1.7 assign (resid 176 and (name HB2 or name HB1 )) (resid 176 and (name HD1 or name HD2 )) 4.5 4.5 1.8 assign (resid 178 and name HA ) (resid 178 and (name HB2 or name HB1 )) 2.4 2.4 1.0 assign (resid 183 and name HA ) (resid 183 and name HN ) 3.6 3.6 1.4 assign (resid 183 and name HB ) (resid 183 and name HN ) 3.9 3.9 1.5 assign (resid 183 and name HB ) (resid 184 and name HN ) 3.3 1.3 1.3 assign (resid 184 and (name HG2# or name HG1# )) (resid 183 and name HB ) 2.6 2.6 1.1 assign (resid 186 and name HA ) (resid 186 and (name HD1# or name HD2# )) 2.2 2.2 0.9 assign (resid 186 and name HA ) (resid 187 and name HN ) 2.9 1.1 1.1 assign (resid 186 and name HA ) (resid 189 and (name HB1 or name HB2 )) 3.4 3.4 1.4 assign (resid 186 and (name HB2 or name HB1 )) (resid 186 and (name HD1# or name HD2# )) 2.1 2.1 0.8 assign (resid 189 and name HA ) (resid 189 and (name HB1 or name HB2 )) 2.6 2.6 1.1 assign (resid 189 and name HA ) (resid 189 and (name HB2 or name HB1 )) 2.8 2.8 1.1 assign (resid 189 and (name HB2 or name HB1 )) (resid 190 and name HA ) 3.7 3.7 1.5 assign (resid 190 and name HA ) (resid 193 and name HB ) 3.1 1.2 1.2 assign (resid 190 and name HA ) (resid 193 and name HN ) 3.3 1.3 1.3 assign (resid 192 and name HA ) (resid 192 and name HN ) 3.5 1.4 1.4 assign (resid 192 and name HA ) (resid 193 and (name HD1# or name HG2# )) 3.6 3.6 1.4 assign (resid 192 and name HA ) (resid 194 and name HN ) 3.5 1.4 1.4 assign (resid 192 and name HA ) (resid 195 and (name HD1# or name HG2# )) 3.5 3.5 1.4 assign (resid 192 and name HA ) (resid 196 and name HN ) 4.3 1.7 1.7 assign (resid 193 and (name HD1# or name HG2# )) (resid 190 and name HA ) 2.4 2.4 1.0 assign (resid 193 and (name HD1# or name HG2# )) (resid 193 and name HA ) 2.7 2.7 1.1 assign (resid 193 and (name HD1# or name HG2# )) (resid 193 and name HN ) 3.3 3.3 1.3 assign (resid 193 and (name HD1# or name HG2# )) (resid 194 and name HN ) 2.7 2.7 1.1 assign (resid 194 and name HA ) (resid 195 and name HA ) 4.1 1.6 1.6 assign (resid 194 and name HB# ) (resid 194 and name HN ) 2.5 2.5 1.0 assign (resid 195 and name HA ) (resid 195 and (name HG2# or name HD1# )) 2.9 2.9 1.2 assign (resid 195 and name HA ) (resid 195 and name HN ) 3.4 3.4 1.4 assign (resid 195 and name HA ) (resid 196 and name HN ) 4.4 1.8 1.8 assign (resid 195 and name HA ) (resid 198 and name HB# ) 2.8 2.8 1.1 assign (resid 195 and name HA ) (resid 198 and name HN ) 3.8 1.5 1.5 assign (resid 195 and (name HD1# or name HG2# )) (resid 195 and name HA ) 3.4 3.4 1.3 assign (resid 195 and (name HD1# or name HG2# )) (resid 195 and (name HG11 or name HG12 )) 2.9 2.9 1.2 assign (resid 195 and (name HG11 or name HG12 )) (resid 195 and name HA ) 3.2 3.2 1.3 assign (resid 195 and (name HG11 or name HG12 )) (resid 196 and name HA ) 2.9 2.9 1.2 assign (resid 195 and (name HG12 or name HG11 )) (resid 195 and name HA ) 2.8 2.8 1.1 assign (resid 195 and (name HG12 or name HG11 )) (resid 195 and (name HG2# or name HD1# )) 3.9 3.9 1.5 assign (resid 195 and (name HG12 or name HG11 )) (resid 195 and name HN ) 4.5 4.5 1.8 assign (resid 196 and name HA ) (resid 196 and name HB# ) 2.5 2.5 1.0 assign (resid 198 and name HA ) (resid 198 and name HB# ) 2.0 2.0 0.8 assign (resid 198 and name HA ) (resid 201 and name HN ) 3.1 1.2 1.2 assign (resid 199 and (name HG1 or name HG2 )) (resid 200 and name HN ) 3.7 3.7 1.5 assign (resid 200 and name HA ) (resid 200 and (name HB1 or name HB2 )) 2.7 2.7 1.1 assign (resid 200 and (name HB1 or name HB2 )) (resid 200 and name HN ) 2.8 2.8 1.1 assign (resid 200 and (name HB1 or name HB2 )) (resid 201 and name HN ) 3.6 3.6 1.4 assign (resid 202 and (name HD1# or name HD2# )) (resid 198 and name HA ) 3.4 3.4 1.4
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