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 |
|
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15500 |
1yfb   |
6478 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! S5 assign(segid A and resid 5 and name HN )(segid A and resid 6 and name HN ) 3.2 0.0 5.0 ! ! T6 assign(segid A and resid 6 and name HN )(segid A and resid 5 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 6 and name HN )(segid A and resid 6 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 6 and name HN )(segid A and resid 6 and name HB ) 0.0 0.0 3.2 ! assign(segid A and resid 6 and name HN )(segid A and resid 6 and name HG2+ ) 0.0 0.0 4.8 ! assign(segid A and resid 6 and name HN )(segid A and resid 7 and name HN ) 0.0 0.0 2.7 ! ! G7 assign(segid A and resid 7 and name HN )(segid A and resid 6 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 7 and name HN )(segid A and resid 7 and name HA1 ) 0.0 0.0 3.2 ! assign(segid A and resid 7 and name HN )(segid A and resid 7 and name HA2 ) 0.0 0.0 3.2 ! assign(segid A and resid 7 and name HN )(segid A and resid 6 and name HB ) 2.7 0.0 1.3 ! assign(segid A and resid 7 and name HN )(segid A and resid 8 and name HN ) 2.7 0.0 1.3 ! ! I8 assign(segid A and resid 8 and name HN )(segid A and resid 7 and name HA+ ) 0.0 0.0 3.5 ! assign(segid A and resid 8 and name HN )(segid A and resid 8 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 8 and name HN )(segid A and resid 8 and name HB ) 0.0 0.0 2.7 ! assign(segid A and resid 8 and name HN )(segid A and resid 9 and name HN ) 3.2 0.0 5.0 ! ! V9 assign(segid A and resid 9 and name HN )(segid A and resid 8 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 9 and name HN )(segid A and resid 9 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 9 and name HN )(segid A and resid 8 and name HB ) 0.0 0.0 4.0 ! assign(segid A and resid 9 and name HN )(segid A and resid 8 and name HG2+ ) 0.0 0.0 4.0 ! assign(segid A and resid 9 and name HN )(segid A and resid 9 and name HB ) 0.0 0.0 2.7 ! assign(segid A and resid 9 and name HN )(segid A and resid 9 and name HG2+ ) 0.0 0.0 3.5 ! assign(segid A and resid 9 and name HG2+ )(segid A and resid 8 and name HA ) 0.0 0.0 5.6 ! assign(segid A and resid 9 and name HG1+ )(segid A and resid 9 and name HA ) 0.0 0.0 3.5 ! assign(segid A and resid 9 and name HG2+ )(segid A and resid 9 and name HA ) 0.0 0.0 3.5 ! ! R10 assign(segid A and resid 10 and name HN )(segid A and resid 9 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 10 and name HN )(segid A and resid 10 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 10 and name HN )(segid A and resid 9 and name HB ) 0.0 0.0 4.0 ! assign(segid A and resid 10 and name HN )(segid A and resid 9 and name HG1+ ) 0.0 0.0 4.0 ! assign(segid A and resid 10 and name HN )(segid A and resid 9 and name HG2+ ) 0.0 0.0 4.8 ! assign(segid A and resid 10 and name HN )(segid A and resid 10 and name HB1 ) 0.0 0.0 3.2 ! assign(segid A and resid 10 and name HN )(segid A and resid 10 and name HB2 ) 0.0 0.0 4.0 ! assign(segid A and resid 10 and name HN )(segid A and resid 10 and name HB+ ) 0.0 0.0 4.8 ! assign(segid A and resid 10 and name HN )(segid A and resid 11 and name HN ) 3.2 0.0 5.0 ! ! K11 assign(segid A and resid 11 and name HN )(segid A and resid 10 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 11 and name HN )(segid A and resid 11 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 11 and name HN )(segid A and resid 11 and name HB+ ) 0.0 0.0 4.0 ! assign(segid A and resid 11 and name HN )(segid A and resid 12 and name HN ) 3.2 0.0 5.0 ! ! V12 assign(segid A and resid 12 and name HN )(segid A and resid 11 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 12 and name HN )(segid A and resid 12 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 12 and name HN )(segid A and resid 11 and name HB+ ) 0.0 0.0 4.0 ! assign(segid A and resid 12 and name HN )(segid A and resid 12 and name HB ) 0.0 0.0 3.2 ! assign(segid A and resid 12 and name HN )(segid A and resid 12 and name HG2+ ) 0.0 0.0 4.0 ! assign(segid A and resid 12 and name HN )(segid A and resid 13 and name HN ) 3.2 0.0 5.0 ! ! D13 assign(segid A and resid 13 and name HN )(segid A and resid 12 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 13 and name HN )(segid A and resid 13 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 13 and name HN )(segid A and resid 12 and name HG1+ ) 0.0 0.0 4.8 ! assign(segid A and resid 13 and name HN )(segid A and resid 13 and name HB1 ) 0.0 0.0 3.2 ! assign(segid A and resid 13 and name HN )(segid A and resid 13 and name HB2 ) 0.0 0.0 4.0 ! assign(segid A and resid 13 and name HN )(segid A and resid 14 and name HN ) 3.2 0.0 5.0 ! ! E14 assign(segid A and resid 14 and name HN )(segid A and resid 13 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 14 and name HN )(segid A and resid 14 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 14 and name HN )(segid A and resid 13 and name HB1 ) 0.0 0.0 3.2 ! assign(segid A and resid 14 and name HN )(segid A and resid 13 and name HB2 ) 0.0 0.0 2.7 ! assign(segid A and resid 14 and name HN )(segid A and resid 14 and name HB+ ) 0.0 0.0 4.0 ! assign(segid A and resid 14 and name HN )(segid A and resid 15 and name HN ) 0.0 0.0 3.2 ! ! L15 assign(segid A and resid 15 and name HN )(segid A and resid 14 and name HA ) 3.2 0.0 5.0 ! assign(segid A and resid 15 and name HN )(segid A and resid 15 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 15 and name HN )(segid A and resid 14 and name HB+ ) 0.0 0.0 4.8 ! assign(segid A and resid 15 and name HN )(segid A and resid 15 and name HB1 ) 0.0 0.0 3.2 ! assign(segid A and resid 15 and name HN )(segid A and resid 15 and name HB2 ) 0.0 0.0 4.0 ! assign(segid A and resid 15 and name HN )(segid A and resid 17 and name HD+ ) 0.0 0.0 4.8 ! assign(segid A and resid 15 and name HN )(segid A and resid 16 and name HN ) 0.0 0.0 2.7 ! ! G16 assign(segid A and resid 16 and name HN )(segid A and resid 15 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 16 and name HN )(segid A and resid 16 and name HA2 ) 0.0 0.0 2.7 ! assign(segid A and resid 16 and name HN )(segid A and resid 16 and name HA1 ) 2.7 0.0 5.0 ! assign(segid A and resid 16 and name HN )(segid A and resid 12 and name HG1+ ) 0.0 0.0 4.8 ! assign(segid A and resid 16 and name HN )(segid A and resid 17 and name HN ) 0.0 0.0 2.7 ! ! R17 assign(segid A and resid 17 and name HN )(segid A and resid 16 and name HA1 ) 3.2 0.0 5.0 ! assign(segid A and resid 17 and name HN )(segid A and resid 16 and name HA2 ) 0.0 0.0 2.7 ! assign(segid A and resid 17 and name HN )(segid A and resid 17 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 17 and name HN )(segid A and resid 15 and name HB1 ) 0.0 0.0 2.7 ! assign(segid A and resid 17 and name HN )(segid A and resid 15 and name HD++ ) 0.0 0.0 5.5 ! assign(segid A and resid 17 and name HN )(segid A and resid 17 and name HB1 ) 0.0 0.0 3.2 ! assign(segid A and resid 17 and name HN )(segid A and resid 17 and name HB2 ) 0.0 0.0 4.0 ! assign(segid A and resid 17 and name HN )(segid A and resid 17 and name HE ) 0.0 0.0 4.0 ! assign(segid A and resid 17 and name HN )(segid A and resid 18 and name HN ) 3.2 0.0 5.0 ! assign(segid A and resid 17 and name HA )(segid A and resid 17 and name HB1 ) 0.0 0.0 3.2 ! assign(segid A and resid 17 and name HA )(segid A and resid 17 and name HB2 ) 0.0 0.0 2.7 ! ! V18 assign(segid A and resid 18 and name HN )(segid A and resid 17 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 18 and name HN )(segid A and resid 18 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 18 and name HN )(segid A and resid 17 and name HB1 ) 0.0 0.0 4.0 ! assign(segid A and resid 18 and name HN )(segid A and resid 17 and name HB2 ) 0.0 0.0 5.0 ! assign(segid A and resid 18 and name HN )(segid A and resid 18 and name HB ) 3.2 0.0 5.0 ! assign(segid A and resid 18 and name HN )(segid A and resid 18 and name HG1+ ) 0.0 0.0 3.5 ! assign(segid A and resid 18 and name HN )(segid A and resid 18 and name HG2+ ) 0.0 0.0 3.5 ! assign(segid A and resid 18 and name HN )(segid A and resid 19 and name HN ) 3.2 0.0 5.0 ! ! V19 assign(segid A and resid 19 and name HN )(segid A and resid 18 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 19 and name HN )(segid A and resid 19 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 19 and name HN )(segid A and resid 19 and name HB ) 0.0 0.0 2.7 ! assign(segid A and resid 19 and name HN )(segid A and resid 19 and name HG2+ ) 0.0 0.0 3.5 ! assign(segid A and resid 18 and name HN )(segid A and resid 19 and name HN ) 3.2 0.0 5.0 ! assign(segid A and resid 19 and name HG1+ )(segid A and resid 19 and name HA ) 0.0 0.0 3.5 ! assign(segid A and resid 19 and name HG2+ )(segid A and resid 19 and name HA ) 0.0 0.0 3.5 ! ! I20 assign(segid A and resid 20 and name HN )(segid A and resid 20 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 20 and name HN )(segid A and resid 19 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 20 and name HN )(segid A and resid 19 and name HG1+ ) 0.0 0.0 4.0 ! assign(segid A and resid 20 and name HN )(segid A and resid 20 and name HB ) 0.0 0.0 3.2 ! assign(segid A and resid 20 and name HN )(segid A and resid 20 and name HG11 ) 0.0 0.0 4.0 ! assign(segid A and resid 20 and name HN )(segid A and resid 20 and name HG12 ) 0.0 0.0 4.0 ! assign(segid A and resid 20 and name HN )(segid A and resid 21 and name HD1 ) 3.2 0.0 5.0 ! assign(segid A and resid 20 and name HN )(segid A and resid 21 and name HD2 ) 3.2 0.0 5.0 ! ! P21 assign(segid A and resid 21 and name HD+ )(segid A and resid 20 and name HG2+ ) 0.0 0.0 4.3 ! assign(segid A and resid 21 and name HD+ )(segid A and resid 20 and name HD1+ ) 0.0 0.0 6.6 ! ! I22 assign(segid A and resid 22 and name HN )(segid A and resid 21 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 22 and name HN )(segid A and resid 22 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 22 and name HN )(segid A and resid 21 and name HB1 ) 0.0 0.0 4.0 ! assign(segid A and resid 22 and name HN )(segid A and resid 22 and name HB ) 0.0 0.0 2.7 ! assign(segid A and resid 22 and name HN )(segid A and resid 22 and name HG2+ ) 0.0 0.0 3.5 ! assign(segid A and resid 22 and name HN )(segid A and resid 23 and name HN ) 2.7 0.0 1.3 ! assign(segid A and resid 22 and name HA )(segid A and resid 22 and name HB ) 0.0 0.0 2.7 ! assign(segid A and resid 22 and name HA )(segid A and resid 22 and name HG1+ ) 0.0 0.0 3.5 ! assign(segid A and resid 22 and name HA )(segid A and resid 22 and name HD1+ ) 0.0 0.0 4.0 ! assign(segid A and resid 22 and name HA )(segid A and resid 25 and name HB1 ) 0.0 0.0 4.0 ! assign(segid A and resid 22 and name HA )(segid A and resid 25 and name HB2 ) 0.0 0.0 3.2 ! assign(segid A and resid 22 and name HA )(segid A and resid 25 and name HG+ ) 0.0 0.0 4.8 ! ! E23 assign(segid A and resid 23 and name HN )(segid A and resid 21 and name HA ) 0.0 0.0 4.0 ! assign(segid A and resid 23 and name HN )(segid A and resid 22 and name HA ) 3.2 0.0 5.0 ! assign(segid A and resid 23 and name HN )(segid A and resid 23 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 23 and name HN )(segid A and resid 24 and name HN ) 0.0 0.0 2.7 ! assign(segid A and resid 23 and name HN )(segid A and resid 25 and name HN ) 0.0 0.0 4.0 ! assign(segid A and resid 23 and name HA )(segid A and resid 22 and name HG2+ ) 0.0 0.0 4.8 ! assign(segid A and resid 23 and name HA )(segid A and resid 26 and name HB+ ) 0.0 0.0 4.0 ! ! L24 assign(segid A and resid 24 and name HN )(segid A and resid 22 and name HA ) 0.0 0.0 4.0 ! assign(segid A and resid 24 and name HN )(segid A and resid 23 and name HA ) 3.2 0.0 5.0 ! assign(segid A and resid 24 and name HN )(segid A and resid 24 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 24 and name HN )(segid A and resid 21 and name HB1 ) 0.0 0.0 5.0 ! assign(segid A and resid 24 and name HN )(segid A and resid 21 and name HB2 ) 0.0 0.0 3.2 ! assign(segid A and resid 24 and name HN )(segid A and resid 23 and name HB+ ) 0.0 0.0 4.0 ! assign(segid A and resid 24 and name HN )(segid A and resid 23 and name HG+ ) 0.0 0.0 4.8 ! assign(segid A and resid 24 and name HN )(segid A and resid 24 and name HB1 ) 0.0 0.0 3.2 ! assign(segid A and resid 24 and name HN )(segid A and resid 24 and name HB2 ) 0.0 0.0 2.7 ! !assign(segid A and resid 24 and name HN )(segid A and resid 24 and name HG ) 0.0 0.0 3.2 ! assign(segid A and resid 24 and name HN )(segid A and resid 25 and name HN ) 0.0 0.0 2.7 ! ! R25 assign(segid A and resid 25 and name HN )(segid A and resid 22 and name HA ) 0.0 0.0 4.0 ! assign(segid A and resid 25 and name HN )(segid A and resid 24 and name HA ) 3.2 0.0 5.0 ! assign(segid A and resid 25 and name HN )(segid A and resid 25 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 25 and name HN )(segid A and resid 20 and name HG2+ ) 0.0 0.0 4.8 ! assign(segid A and resid 25 and name HN )(segid A and resid 24 and name HB1 ) 0.0 0.0 4.0 ! assign(segid A and resid 25 and name HN )(segid A and resid 24 and name HB2 ) 0.0 0.0 4.0 ! assign(segid A and resid 25 and name HN )(segid A and resid 25 and name HB1 ) 0.0 0.0 4.0 ! assign(segid A and resid 25 and name HN )(segid A and resid 25 and name HB2 ) 0.0 0.0 3.2 ! assign(segid A and resid 25 and name HN )(segid A and resid 23 and name HN ) 0.0 0.0 4.0 ! assign(segid A and resid 25 and name HN )(segid A and resid 26 and name HN ) 0.0 0.0 2.7 ! !assign(segid A and resid 25 and name HD2 )(segid A and resid 20 and name HG2+ ) 0.0 0.0 4.0 ! assign(segid A and resid 25 and name HA )(segid A and resid 25 and name HB1 ) 0.0 0.0 2.7 ! assign(segid A and resid 25 and name HA )(segid A and resid 25 and name HB2 ) 0.0 0.0 3.2 ! assign(segid A and resid 25 and name HA )(segid A and resid 28 and name HB+ ) 0.0 0.0 3.5 ! ! R26 assign(segid A and resid 26 and name HN )(segid A and resid 22 and name HA ) 0.0 0.0 4.0 ! assign(segid A and resid 26 and name HN )(segid A and resid 23 and name HA ) 0.0 0.0 4.0 ! assign(segid A and resid 26 and name HN )(segid A and resid 25 and name HA ) 3.2 0.0 5.0 ! assign(segid A and resid 26 and name HN )(segid A and resid 26 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 26 and name HN )(segid A and resid 22 and name HG2+ ) 0.0 0.0 4.8 ! assign(segid A and resid 26 and name HN )(segid A and resid 25 and name HB1 ) 0.0 0.0 4.0 ! assign(segid A and resid 26 and name HN )(segid A and resid 25 and name HB2 ) 0.0 0.0 3.2 ! assign(segid A and resid 26 and name HN )(segid A and resid 26 and name HB+ ) 0.0 0.0 3.5 ! assign(segid A and resid 26 and name HN )(segid A and resid 24 and name HN ) 0.0 0.0 4.0 ! assign(segid A and resid 26 and name HN )(segid A and resid 27 and name HN ) 0.0 0.0 2.7 ! ! T27 assign(segid A and resid 27 and name HN )(segid A and resid 24 and name HA ) 0.0 0.0 4.0 ! assign(segid A and resid 27 and name HN )(segid A and resid 26 and name HA ) 3.2 0.0 5.0 ! assign(segid A and resid 27 and name HN )(segid A and resid 27 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 27 and name HN )(segid A and resid 26 and name HB+ ) 0.0 0.0 3.5 ! assign(segid A and resid 27 and name HN )(segid A and resid 26 and name HG+ ) 0.0 0.0 4.8 ! assign(segid A and resid 27 and name HN )(segid A and resid 27 and name HB ) 0.0 0.0 3.2 ! assign(segid A and resid 27 and name HN )(segid A and resid 27 and name HG2+ ) 0.0 0.0 4.0 ! assign(segid A and resid 27 and name HN )(segid A and resid 28 and name HN ) 0.0 0.0 2.7 ! ! L28 assign(segid A and resid 28 and name HN )(segid A and resid 25 and name HA ) 0.0 0.0 4.0 ! assign(segid A and resid 28 and name HN )(segid A and resid 27 and name HA ) 3.2 0.0 5.0 ! assign(segid A and resid 28 and name HN )(segid A and resid 28 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 28 and name HN )(segid A and resid 27 and name HG2+ ) 0.0 0.0 4.8 ! assign(segid A and resid 28 and name HN )(segid A and resid 28 and name HB1 ) 0.0 0.0 2.7 ! assign(segid A and resid 28 and name HN )(segid A and resid 28 and name HB2 ) 0.0 0.0 2.7 ! assign(segid A and resid 28 and name HN )(segid A and resid 29 and name HN ) 0.0 0.0 2.7 ! ! G29 assign(segid A and resid 29 and name HN )(segid A and resid 26 and name HA ) 0.0 0.0 4.0 ! assign(segid A and resid 29 and name HN )(segid A and resid 28 and name HA ) 3.2 0.0 5.0 ! assign(segid A and resid 29 and name HN )(segid A and resid 29 and name HA1 ) 2.7 0.0 5.0 ! assign(segid A and resid 29 and name HN )(segid A and resid 29 and name HA2 ) 0.0 0.0 2.7 ! assign(segid A and resid 29 and name HN )(segid A and resid 28 and name HB+ ) 0.0 0.0 4.0 ! assign(segid A and resid 29 and name HN )(segid A and resid 30 and name HN ) 0.0 0.0 2.7 ! ! I30 assign(segid A and resid 30 and name HN )(segid A and resid 29 and name HA1 ) 2.7 0.0 5.0 ! assign(segid A and resid 30 and name HN )(segid A and resid 29 and name HA2 ) 0.0 0.0 2.7 ! assign(segid A and resid 30 and name HN )(segid A and resid 30 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 30 and name HN )(segid A and resid 30 and name HB ) 0.0 0.0 2.7 ! ! A31 assign(segid A and resid 31 and name HN )(segid A and resid 30 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 31 and name HN )(segid A and resid 31 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 31 and name HN )(segid A and resid 30 and name HB ) 0.0 0.0 4.0 ! assign(segid A and resid 31 and name HN )(segid A and resid 31 and name HB+ ) 0.0 0.0 3.5 ! assign(segid A and resid 31 and name HN )(segid A and resid 34 and name HB1 ) 0.0 0.0 4.0 ! assign(segid A and resid 31 and name HN )(segid A and resid 34 and name HB2 ) 0.0 0.0 3.2 ! assign(segid A and resid 31 and name HN )(segid A and resid 32 and name HN ) 3.2 0.0 5.0 ! assign(segid A and resid 31 and name HB+ )(segid A and resid 34 and name HB2 ) 0.0 0.0 4.0 ! ! E32 assign(segid A and resid 32 and name HN )(segid A and resid 31 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 32 and name HN )(segid A and resid 32 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 32 and name HN )(segid A and resid 31 and name HB+ ) 0.0 0.0 3.5 ! assign(segid A and resid 32 and name HN )(segid A and resid 32 and name HB1 ) 0.0 0.0 2.7 ! assign(segid A and resid 32 and name HN )(segid A and resid 32 and name HB2 ) 0.0 0.0 2.7 ! assign(segid A and resid 32 and name HN )(segid A and resid 33 and name HN ) 3.2 0.0 5.0 ! ! K33 assign(segid A and resid 33 and name HN )(segid A and resid 32 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 33 and name HN )(segid A and resid 33 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 33 and name HN )(segid A and resid 33 and name HB1 ) 0.0 0.0 4.0 ! assign(segid A and resid 33 and name HN )(segid A and resid 33 and name HB2 ) 0.0 0.0 3.2 ! assign(segid A and resid 33 and name HN )(segid A and resid 34 and name HN ) 0.0 0.0 3.2 ! ! D34 assign(segid A and resid 34 and name HN )(segid A and resid 32 and name HA ) 0.0 0.0 4.0 ! assign(segid A and resid 34 and name HN )(segid A and resid 33 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 34 and name HN )(segid A and resid 34 and name HA ) 0.0 0.0 3.2 ! assign(segid A and resid 34 and name HN )(segid A and resid 31 and name HB+ ) 0.0 0.0 4.8 ! assign(segid A and resid 34 and name HN )(segid A and resid 33 and name HB1 ) 0.0 0.0 3.2 ! assign(segid A and resid 34 and name HN )(segid A and resid 33 and name HB2 ) 0.0 0.0 5.0 ! assign(segid A and resid 34 and name HN )(segid A and resid 34 and name HB1 ) 0.0 0.0 3.2 ! assign(segid A and resid 34 and name HN )(segid A and resid 34 and name HB2 ) 0.0 0.0 4.0 ! assign(segid A and resid 34 and name HN )(segid A and resid 35 and name HN ) 3.2 0.0 5.0 ! ! A35 assign(segid A and resid 35 and name HN )(segid A and resid 34 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 35 and name HN )(segid A and resid 35 and name HA ) 0.0 0.0 3.2 ! assign(segid A and resid 35 and name HN )(segid A and resid 34 and name HB1 ) 0.0 0.0 4.0 ! assign(segid A and resid 35 and name HN )(segid A and resid 34 and name HB2 ) 0.0 0.0 2.7 ! assign(segid A and resid 35 and name HN )(segid A and resid 35 and name HB+ ) 0.0 0.0 3.5 ! assign(segid A and resid 35 and name HN )(segid A and resid 36 and name HN ) 3.2 0.0 5.0 ! ! L36 assign(segid A and resid 36 and name HN )(segid A and resid 35 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 36 and name HN )(segid A and resid 36 and name HA ) 0.0 0.0 3.2 ! assign(segid A and resid 36 and name HN )(segid A and resid 35 and name HB+ ) 0.0 0.0 4.0 ! assign(segid A and resid 36 and name HN )(segid A and resid 36 and name HB1 ) 0.0 0.0 4.0 ! assign(segid A and resid 36 and name HN )(segid A and resid 36 and name HB2 ) 0.0 0.0 3.2 ! assign(segid A and resid 36 and name HN )(segid A and resid 37 and name HN ) 3.2 0.0 5.0 ! ! E37 assign(segid A and resid 37 and name HN )(segid A and resid 36 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 37 and name HN )(segid A and resid 37 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 37 and name HN )(segid A and resid 48 and name HN ) 0.0 0.0 3.2 ! assign(segid A and resid 37 and name HN )(segid A and resid 49 and name HA ) 0.0 0.0 4.0 ! assign(segid A and resid 37 and name HN )(segid A and resid 50 and name HN ) 0.0 0.0 5.0 ! assign(segid A and resid 37 and name HN )(segid A and resid 36 and name HB1 ) 0.0 0.0 4.0 ! assign(segid A and resid 37 and name HN )(segid A and resid 36 and name HB2 ) 0.0 0.0 4.0 ! assign(segid A and resid 37 and name HN )(segid A and resid 37 and name HB1 ) 0.0 0.0 3.2 ! assign(segid A and resid 37 and name HN )(segid A and resid 37 and name HB2 ) 0.0 0.0 4.0 ! assign(segid A and resid 37 and name HN )(segid A and resid 50 and name HB1 ) 2.7 0.0 5.0 ! assign(segid A and resid 37 and name HN )(segid A and resid 50 and name HB2 ) 2.7 0.0 2.3 ! assign(segid A and resid 37 and name HN )(segid A and resid 38 and name HN ) 3.2 0.0 5.0 ! ! I38 assign(segid A and resid 38 and name HN )(segid A and resid 37 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 38 and name HN )(segid A and resid 38 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 38 and name HN )(segid A and resid 37 and name HB1 ) 0.0 0.0 5.0 ! assign(segid A and resid 38 and name HN )(segid A and resid 37 and name HB2 ) 0.0 0.0 4.0 ! assign(segid A and resid 38 and name HN )(segid A and resid 38 and name HB ) 0.0 0.0 2.7 ! assign(segid A and resid 38 and name HN )(segid A and resid 39 and name HN ) 3.2 0.0 5.0 ! ! Y39 assign(segid A and resid 39 and name HN )(segid A and resid 38 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 39 and name HN )(segid A and resid 39 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 39 and name HN )(segid A and resid 40 and name HN ) 3.2 0.0 5.0 ! !assign(segid A and resid 39 and name HD1 )(segid A and resid 37 and name HB2 ) 0.0 0.0 3.2 ! assign(segid A and resid 39 and name HE1 )(segid A and resid 37 and name HB1 ) 0.0 0.0 4.0 ! assign(segid A and resid 39 and name HE1 )(segid A and resid 37 and name HB2 ) 0.0 0.0 3.2 ! assign(segid A and resid 39 and name HE1 )(segid A and resid 48 and name HB+ ) 0.0 0.0 5.8 ! assign(segid A and resid 39 and name HE1 )(segid A and resid 48 and name HG1 ) 0.0 0.0 3.2 ! assign(segid A and resid 39 and name HE1 )(segid A and resid 48 and name HG2 ) 0.0 0.0 3.2 ! assign(segid A and resid 39 and name HE1 )(segid A and resid 48 and name HD+ ) 0.0 0.0 5.8 ! assign(segid A and resid 39 and name HD2 )(segid A and resid 46 and name HB ) 0.0 0.0 5.0 ! assign(segid A and resid 39 and name HE2 )(segid A and resid 46 and name HB ) 0.0 0.0 5.0 ! assign(segid A and resid 39 and name HD2 )(segid A and resid 46 and name HG2+ ) 0.0 0.0 5.0 ! assign(segid A and resid 39 and name HE2 )(segid A and resid 46 and name HG2+ ) 0.0 0.0 5.0 ! assign(segid A and resid 39 and name HD1 )(segid A and resid 39 and name HB2 ) 0.0 0.0 2.7 ! assign(segid A and resid 39 and name HD2 )(segid A and resid 39 and name HB1 ) 0.0 0.0 2.7 ! assign(segid A and resid 39 and name HD1 )(segid A and resid 38 and name HA ) 0.0 0.0 4.0 ! assign(segid A and resid 39 and name HD2 )(segid A and resid 40 and name HN ) 0.0 0.0 4.0 ! !assign(segid A and resid 39 and name HE2 )(segid A and resid 41 and name HB+ ) 0.0 0.0 4.8 ! ! V40 assign(segid A and resid 40 and name HN )(segid A and resid 39 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 40 and name HN )(segid A and resid 40 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 40 and name HN )(segid A and resid 39 and name HB+ ) 0.0 0.0 3.5 ! assign(segid A and resid 40 and name HN )(segid A and resid 40 and name HB ) 0.0 0.0 3.2 ! assign(segid A and resid 40 and name HN )(segid A and resid 41 and name HN ) 3.2 0.0 5.0 ! assign(segid A and resid 40 and name HG2+ )(segid A and resid 45 and name HA ) 0.0 0.0 4.0 ! ! D41 assign(segid A and resid 41 and name HN )(segid A and resid 40 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 41 and name HN )(segid A and resid 41 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 41 and name HN )(segid A and resid 40 and name HB ) 0.0 0.0 4.0 ! assign(segid A and resid 41 and name HA )(segid A and resid 40 and name HG1+ ) 0.0 0.0 4.0 ! assign(segid A and resid 41 and name HN )(segid A and resid 41 and name HB+ ) 0.0 0.0 4.0 ! assign(segid A and resid 41 and name HN )(segid A and resid 44 and name HN ) 0.0 0.0 4.0 ! assign(segid A and resid 41 and name HN )(segid A and resid 45 and name HA ) 0.0 0.0 4.0 ! assign(segid A and resid 41 and name HN )(segid A and resid 42 and name HN ) 3.2 0.0 5.0 ! assign(segid A and resid 41 and name HA )(segid A and resid 40 and name HB ) 0.0 0.0 4.0 ! assign(segid A and resid 41 and name HA )(segid A and resid 40 and name HG1+ ) 0.0 0.0 4.0 ! ! D42 assign(segid A and resid 42 and name HN )(segid A and resid 41 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 42 and name HN )(segid A and resid 42 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 42 and name HN )(segid A and resid 41 and name HB+ ) 0.0 0.0 4.0 ! assign(segid A and resid 42 and name HN )(segid A and resid 42 and name HB1 ) 0.0 0.0 3.2 ! assign(segid A and resid 42 and name HN )(segid A and resid 42 and name HB2 ) 0.0 0.0 3.2 ! !E43 assign(segid A and resid 43 and name HN )(segid A and resid 42 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 43 and name HN )(segid A and resid 43 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 43 and name HN )(segid A and resid 42 and name HB1 ) 0.0 0.0 5.0 ! assign(segid A and resid 43 and name HN )(segid A and resid 42 and name HB2 ) 0.0 0.0 4.0 ! assign(segid A and resid 43 and name HN )(segid A and resid 43 and name HB+ ) 0.0 0.0 4.0 ! assign(segid A and resid 43 and name HN )(segid A and resid 44 and name HN ) 0.0 0.0 2.7 ! !K44 assign(segid A and resid 44 and name HN )(segid A and resid 43 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 44 and name HN )(segid A and resid 44 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 44 and name HN )(segid A and resid 45 and name HN ) 3.2 0.0 5.0 ! ! I45 assign(segid A and resid 45 and name HN )(segid A and resid 44 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 45 and name HN )(segid A and resid 45 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 45 and name HN )(segid A and resid 45 and name HB ) 0.0 0.0 3.2 ! assign(segid A and resid 45 and name HN )(segid A and resid 45 and name HD1+ ) 0.0 0.0 4.0 ! assign(segid A and resid 45 and name HN )(segid A and resid 46 and name HN ) 3.2 0.0 5.0 ! ! I46 assign(segid A and resid 46 and name HN )(segid A and resid 45 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 46 and name HN )(segid A and resid 46 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 46 and name HN )(segid A and resid 40 and name HA ) 0.0 0.0 4.0 ! assign(segid A and resid 46 and name HN )(segid A and resid 46 and name HB ) 0.0 0.0 3.2 ! assign(segid A and resid 46 and name HN )(segid A and resid 46 and name HD1+ ) 0.0 0.0 4.0 ! assign(segid A and resid 46 and name HN )(segid A and resid 39 and name HN ) 0.0 0.0 4.0 ! assign(segid A and resid 46 and name HN )(segid A and resid 47 and name HN ) 3.2 0.0 5.0 ! ! L47 assign(segid A and resid 47 and name HN )(segid A and resid 46 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 47 and name HN )(segid A and resid 47 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 47 and name HN )(segid A and resid 46 and name HG2+ ) 0.0 0.0 4.0 ! assign(segid A and resid 47 and name HN )(segid A and resid 47 and name HB2 ) 0.0 0.0 3.2 ! assign(segid A and resid 47 and name HN )(segid A and resid 47 and name HB1 ) 0.0 0.0 4.0 ! assign(segid A and resid 47 and name HN )(segid A and resid 48 and name HN ) 3.2 0.0 5.0 ! ! K48 assign(segid A and resid 48 and name HN )(segid A and resid 47 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 48 and name HN )(segid A and resid 48 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 48 and name HN )(segid A and resid 38 and name HA ) 0.0 0.0 4.0 ! assign(segid A and resid 48 and name HN )(segid A and resid 47 and name HB1 ) 0.0 0.0 4.0 ! assign(segid A and resid 48 and name HN )(segid A and resid 47 and name HB2 ) 0.0 0.0 4.0 ! assign(segid A and resid 48 and name HN )(segid A and resid 47 and name HG ) 0.0 0.0 4.0 ! assign(segid A and resid 48 and name HN )(segid A and resid 48 and name HB+ ) 0.0 0.0 4.0 ! assign(segid A and resid 48 and name HN )(segid A and resid 49 and name HN ) 3.2 0.0 5.0 ! ! K49 assign(segid A and resid 49 and name HN )(segid A and resid 48 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 49 and name HN )(segid A and resid 49 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 49 and name HN )(segid A and resid 48 and name HB+ ) 0.0 0.0 4.8 ! assign(segid A and resid 49 and name HN )(segid A and resid 48 and name HG+ ) 0.0 0.0 4.8 ! assign(segid A and resid 49 and name HN )(segid A and resid 49 and name HB1 ) 0.0 0.0 2.7 ! assign(segid A and resid 49 and name HN )(segid A and resid 49 and name HB2 ) 0.0 0.0 2.7 ! assign(segid A and resid 49 and name HN )(segid A and resid 50 and name HN ) 3.2 0.0 5.0 ! ! Y50 assign(segid A and resid 50 and name HN )(segid A and resid 49 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 50 and name HN )(segid A and resid 50 and name HA ) 2.7 0.0 5.0 ! assign(segid A and resid 50 and name HN )(segid A and resid 49 and name HB1 ) 0.0 0.0 4.0 ! assign(segid A and resid 50 and name HN )(segid A and resid 49 and name HB2 ) 0.0 0.0 4.0 ! assign(segid A and resid 50 and name HN )(segid A and resid 50 and name HB1 ) 0.0 0.0 3.2 ! assign(segid A and resid 50 and name HN )(segid A and resid 50 and name HB2 ) 0.0 0.0 4.0 ! assign(segid A and resid 50 and name HN )(segid A and resid 30 and name HD1+ ) 0.0 0.0 4.8 ! assign(segid A and resid 50 and name HN )(segid A and resid 36 and name HA ) 0.0 0.0 3.2 ! assign(segid A and resid 50 and name HN )(segid A and resid 51 and name HN ) 3.2 0.0 5.0 ! assign(segid A and resid 50 and name HD1 )(segid A and resid 35 and name HB+ ) 0.0 0.0 3.5 ! assign(segid A and resid 50 and name HE1 )(segid A and resid 35 and name HB+ ) 0.0 0.0 4.0 ! assign(segid A and resid 50 and name HD2 )(segid A and resid 37 and name HA ) 0.0 0.0 5.0 ! assign(segid A and resid 50 and name HD2 )(segid A and resid 37 and name HB1 ) 0.0 0.0 3.2 ! assign(segid A and resid 50 and name HD2 )(segid A and resid 37 and name HB2 ) 0.0 0.0 4.0 ! assign(segid A and resid 50 and name HE2 )(segid A and resid 37 and name HB1 ) 0.0 0.0 4.0 ! assign(segid A and resid 50 and name HE2 )(segid A and resid 37 and name HB2 ) 0.0 0.0 5.0 ! assign(segid A and resid 50 and name HD2 )(segid A and resid 50 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 50 and name HE2 )(segid A and resid 52 and name HA ) 0.0 0.0 4.0 ! ! K51 assign(segid A and resid 51 and name HN )(segid A and resid 50 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 51 and name HN )(segid A and resid 51 and name HA ) 2.7 0.0 5.0 ! ! P52 assign(segid A and resid 52 and name HD1 )(segid A and resid 50 and name HN ) 2.7 0.0 5.0 ! assign(segid A and resid 52 and name HD1 )(segid A and resid 50 and name HN ) 2.7 0.0 5.0 ! ! K51 assign(segid A and resid 53 and name HN )(segid A and resid 52 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 53 and name HN )(segid A and resid 53 and name HA ) 2.7 0.0 5.0 ! ! intermolecular ! V9 assign(segid A and resid 9 and name HG1+ )(segid A and resid 35 and name HB+ ) 0.0 0.0 4.3 ! assign(segid A and resid 9 and name HG2+ )(segid A and resid 37 and name HA ) 0.0 0.0 4.0 ! assign(segid A and resid 9 and name HG1+ )(segid A and resid 37 and name HA ) 0.0 0.0 4.8 ! assign(segid A and resid 9 and name HG2+ )(segid A and resid 37 and name HB2 ) 0.0 0.0 4.8 ! assign(segid A and resid 9 and name HG1+ )(segid A and resid 50 and name HB2 ) 0.0 0.0 4.8 ! assign(segid A and resid 9 and name HG2+ )(segid A and resid 50 and name HB2 ) 0.0 0.0 5.8 ! assign(segid A and resid 9 and name HG1+ )(segid A and resid 50 and name HB1 ) 0.0 0.0 5.8 ! assign(segid A and resid 9 and name HG2+ )(segid A and resid 50 and name HB1 ) 0.0 0.0 5.8 ! ! R10 assign(segid A and resid 10 and name HN )(segid A and resid 36 and name HD1+ ) 0.0 0.0 4.8 ! ! V12 assign(segid A and resid 12 and name HN )(segid A and resid 35 and name HA ) 0.0 0.0 4.0 ! assign(segid A and resid 12 and name HN )(segid A and resid 30 and name HD1+ ) 0.0 0.0 4.8 ! ! R17 assign(segid A and resid 17 and name HA )(segid A and resid 19 and name HA ) 0.0 0.0 2.7 ! assign(segid A and resid 17 and name HA )(segid A and resid 19 and name HG1+ ) 0.0 0.0 4.8 ! ! V18 assign(segid A and resid 18 and name HN )(segid A and resid 19 and name HA ) 0.0 0.0 4.0 ! ! V19 assign(segid A and resid 19 and name HA )(segid A and resid 17 and name HB1 ) 0.0 0.0 4.0 ! ! I20 assign(segid A and resid 20 and name HN )(segid A and resid 16 and name HA1 ) 0.0 0.0 4.0 ! assign(segid A and resid 20 and name HN )(segid A and resid 17 and name HA ) 0.0 0.0 4.0 ! ! R25 assign(segid A and resid 25 and name HD1 )(segid A and resid 15 and name HD++ ) 0.0 0.0 5.8 ! ! A31 assign(segid A and resid 31 and name HN )(segid A and resid 12 and name HG2+ ) 0.0 0.0 4.8 ! ! K33 assign(segid A and resid 33 and name HN )(segid A and resid 13 and name HA ) 0.0 0.0 4.0 ! assign(segid A and resid 33 and name HN )(segid A and resid 12 and name HG2+ ) 0.0 0.0 4.8 ! ! D34 assign(segid A and resid 34 and name HN )(segid A and resid 12 and name HG1+ ) 0.0 0.0 4.8 ! ! A35 assign(segid A and resid 35 and name HN )(segid A and resid 12 and name HG1+ ) 0.0 0.0 5.8 ! ! L36 assign(segid A and resid 36 and name HN )(segid A and resid 11 and name HA ) 0.0 0.0 4.0 ! assign(segid A and resid 36 and name HN )(segid A and resid 9 and name HG1+ ) 0.0 0.0 4.8 ! ! I38 assign(segid A and resid 38 and name HN )(segid A and resid 9 and name HA ) 0.0 0.0 4.0 ! ! I45 assign(segid A and resid 45 and name HN )(segid B and resid 47 and name HN ) 0.0 0.0 2.7 ! ! Y50 assign(segid A and resid 50 and name HD1 )(segid A and resid 9 and name HG1+ ) 0.0 0.0 4.0 ! assign(segid A and resid 50 and name HD1 )(segid A and resid 9 and name HG2+ ) 0.0 0.0 4.0 ! assign(segid A and resid 50 and name HE1 )(segid A and resid 9 and name HG1+ ) 0.0 0.0 4.8 ! assign(segid A and resid 50 and name HE1 )(segid A and resid 9 and name HG2+ ) 0.0 0.0 4.8 !
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