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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575956 |
2mkb   |
19765 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!============================================================================ ! > RESTRAINTS FROM 6_gbvb5.txt ! > SEQUENCE ! HAWYSHYVLKFFLLVFGENGVFFYK ! ! > DISTANCE RESTRAINTS ! class | [lower limit, upper limits[ | distance restraint ! --------+-------------------------------+--------------------- ! weak | 0 , 2 | 5.0 ! medium | 2 , 4 | 3.9 ! strong | 4 , 8 | 2.8 ! ! > CORRECTION FACTOR FOR PSEUDO-ATOMS ! -CH2 = +1.0 A (ex.: HB# in F) ! -Haromatic = +2.0 A (ex.: HD* in Y) ! -CH3# = +1.0 A (ex.: HG2# in I) ! -CH3* = +2.4 A (ex.: HD* in L) !============================================================================ ! <========== H1 ==========> assign (resid 1 and name HA )(resid 2 and name HN ) 3.9 2.1 0.4 assign (resid 1 and name HB# )(resid 2 and name HN ) 5.0 3.2 1.5 ! <========== A2 ==========> assign (resid 2 and name HA )(resid 3 and name HN ) 2.8 1.0 0.3 assign (resid 2 and name HB# )(resid 3 and name HN ) 2.8 1.0 1.3 ! <========== W3 ==========> assign (resid 3 and name HN )(resid 4 and name HN ) 3.9 2.1 0.4 assign (resid 3 and name HA )(resid 4 and name HN ) 3.9 2.1 0.4 assign (resid 3 and name HB2 )(resid 4 and name HN ) 5.0 3.2 0.5 assign (resid 3 and name HA )(resid 5 and name HN ) 5.0 3.2 0.5 assign (resid 3 and name HA )(resid 6 and name HN ) 5.0 3.2 0.5 ! <========== Y4 ==========> assign (resid 4 and name HN )(resid 5 and name HN ) 2.8 1.0 0.3 assign (resid 4 and name HA )(resid 5 and name HN ) 2.8 1.0 0.3 assign (resid 4 and name HB1 )(resid 5 and name HN ) 5.0 3.2 0.5 assign (resid 4 and name HB2 )(resid 5 and name HN ) 5.0 3.2 0.5 assign (resid 4 and name HA )(resid 7 and name HN ) 3.9 2.1 0.4 ! <========== S5 ==========> assign (resid 5 and name HN )(resid 6 and name HN ) 3.9 2.1 0.4 assign (resid 5 and name HA )(resid 6 and name HN ) 2.8 1.0 0.3 assign (resid 5 and name HA )(resid 7 and name HN ) 5.0 3.2 0.5 assign (resid 5 and name HA )(resid 8 and name HN ) 3.9 2.1 0.4 assign (resid 5 and name HA )(resid 8 and name HB ) 3.9 2.1 0.4 assign (resid 5 and name HA )(resid 8 and name HG1# ) 5.0 3.2 1.5 assign (resid 5 and name HA )(resid 8 and name HG2# ) 5.0 3.2 1.5 ! <========== H6 ==========> assign (resid 6 and name HN )(resid 7 and name HN ) 3.9 2.1 0.4 assign (resid 6 and name HA )(resid 7 and name HN ) 2.8 1.0 0.3 assign (resid 6 and name HB# )(resid 7 and name HN ) 3.9 2.1 1.4 assign (resid 6 and name HA )(resid 9 and name HN ) 2.8 1.0 0.3 assign (resid 6 and name HA )(resid 9 and name HB1 ) 2.8 1.0 0.3 assign (resid 6 and name HA )(resid 9 and name HB2 ) 5.0 3.2 0.5 assign (resid 6 and name HA )(resid 9 and name HD2# ) 5.0 3.2 1.5 assign (resid 6 and name HA )(resid 10 and name HN ) 5.0 3.2 0.5 ! <========== Y7 ==========> assign (resid 7 and name HN )(resid 8 and name HN ) 3.9 2.1 0.4 assign (resid 7 and name HA )(resid 8 and name HN ) 2.8 1.0 0.3 assign (resid 7 and name HB1 )(resid 8 and name HN ) 3.9 2.1 0.4 assign (resid 7 and name HB2 )(resid 8 and name HN ) 2.8 1.0 0.3 assign (resid 7 and name HA )(resid 9 and name HN ) 5.0 3.2 0.5 assign (resid 7 and name HA )(resid 10 and name HN ) 2.8 1.0 0.3 assign (resid 7 and name HA )(resid 10 and name HB# ) 2.8 1.0 1.3 ! <========== V8 ==========> assign (resid 8 and name HN )(resid 9 and name HN ) 3.9 2.1 0.4 assign (resid 8 and name HA )(resid 9 and name HN ) 2.8 1.0 0.3 assign (resid 8 and name HB )(resid 9 and name HN ) 3.9 2.1 0.4 assign (resid 8 and name HG1# )(resid 9 and name HN ) 5.0 3.2 1.5 assign (resid 8 and name HG2# )(resid 9 and name HN ) 5.0 3.2 1.5 assign (resid 8 and name HA )(resid 10 and name HN ) 5.0 3.2 0.5 assign (resid 8 and name HA )(resid 11 and name HN ) 3.9 2.1 0.4 assign (resid 8 and name HA )(resid 11 and name HB1 ) 2.8 1.0 0.3 assign (resid 8 and name HA )(resid 11 and name HB2 ) 5.0 3.2 0.5 ! <========== L9 ==========> assign (resid 9 and name HN )(resid 10 and name HN ) 2.8 1.0 0.3 assign (resid 9 and name HA )(resid 10 and name HN ) 3.9 2.1 0.4 assign (resid 9 and name HB1 )(resid 10 and name HN ) 2.8 1.0 0.3 assign (resid 9 and name HB2 )(resid 10 and name HN ) 3.9 2.1 0.4 assign (resid 9 and name HA )(resid 11 and name HN ) 5.0 3.2 0.5 assign (resid 9 and name HA )(resid 12 and name HN ) 5.0 3.2 0.5 assign (resid 9 and name HA )(resid 12 and name HB# ) 2.8 1.0 1.3 assign (resid 9 and name HA )(resid 13 and name HN ) 5.0 3.2 0.5 ! <========== K10 ==========> assign (resid 10 and name HN )(resid 11 and name HN ) 2.8 1.0 0.3 assign (resid 10 and name HA )(resid 11 and name HN ) 3.9 2.1 0.4 assign (resid 10 and name HB# )(resid 11 and name HN ) 2.8 1.0 1.3 !assign (resid 10 and name HN )(resid 12 and name HN ) 5.0 3.2 0.5 assign (resid 10 and name HA )(resid 12 and name HN ) 5.0 3.2 0.5 assign (resid 10 and name HA )(resid 13 and name HN ) 5.0 3.2 0.5 assign (resid 10 and name HA )(resid 13 and name HB1 ) 2.8 1.0 0.3 assign (resid 10 and name HA )(resid 13 and name HB2 ) 3.9 2.1 0.4 assign (resid 10 and name HA )(resid 14 and name HN ) 3.9 2.1 0.4 ! <========== F11 ==========> assign (resid 11 and name HN )(resid 12 and name HN ) 2.8 1.0 0.3 assign (resid 11 and name HA )(resid 12 and name HN ) 5.0 3.2 0.5 assign (resid 11 and name HB1 )(resid 12 and name HN ) 3.9 2.1 0.4 assign (resid 11 and name HB2 )(resid 12 and name HN ) 5.0 3.2 0.5 assign (resid 11 and name HA )(resid 13 and name HN ) 5.0 3.2 0.5 assign (resid 11 and name HA )(resid 14 and name HN ) 3.9 2.1 0.4 assign (resid 11 and name HA )(resid 14 and name HB1 ) 2.8 1.0 0.3 assign (resid 11 and name HA )(resid 14 and name HB2 ) 2.8 1.0 0.3 assign (resid 11 and name HA )(resid 15 and name HN ) 5.0 3.2 0.5 ! <========== F12 ==========> assign (resid 12 and name HN )(resid 13 and name HN ) 2.8 1.0 0.3 assign (resid 12 and name HA )(resid 13 and name HN ) 3.9 2.1 0.4 assign (resid 12 and name HB# )(resid 13 and name HN ) 2.8 1.0 1.3 assign (resid 12 and name HA )(resid 14 and name HN ) 5.0 3.2 0.5 assign (resid 12 and name HA )(resid 15 and name HN ) 3.9 2.1 0.4 assign (resid 12 and name HA )(resid 15 and name HB ) 2.8 1.0 0.3 assign (resid 12 and name HA )(resid 15 and name HG1# ) 5.0 3.2 1.5 assign (resid 12 and name HA )(resid 15 and name HG2# ) 5.0 3.2 1.5 assign (resid 12 and name HA )(resid 16 and name HN ) 3.9 2.1 0.4 ! <========== L13 ==========> assign (resid 13 and name HN )(resid 14 and name HN ) 2.8 1.0 0.3 assign (resid 13 and name HA )(resid 14 and name HN ) 5.0 3.2 0.5 assign (resid 13 and name HB1 )(resid 14 and name HN ) 2.8 1.0 0.3 assign (resid 13 and name HB2 )(resid 14 and name HN ) 5.0 3.2 0.5 assign (resid 13 and name HG )(resid 14 and name HN ) 5.0 3.2 0.5 assign (resid 13 and name HN )(resid 15 and name HN ) 5.0 3.2 0.5 assign (resid 13 and name HA )(resid 15 and name HN ) 5.0 3.2 0.5 assign (resid 13 and name HA )(resid 16 and name HN ) 3.9 2.1 0.4 assign (resid 13 and name HA )(resid 16 and name HB1 ) 5.0 3.2 0.5 assign (resid 13 and name HA )(resid 16 and name HB2 ) 5.0 3.2 0.5 assign (resid 13 and name HA )(resid 17 and name HN ) 3.9 2.1 0.4 ! <========== L14 ==========> assign (resid 14 and name HN )(resid 15 and name HN ) 3.9 2.1 0.4 assign (resid 14 and name HA )(resid 15 and name HN ) 2.8 1.0 0.3 assign (resid 14 and name HB1 )(resid 15 and name HN ) 3.9 2.1 0.4 assign (resid 14 and name HB2 )(resid 15 and name HN ) 3.9 2.1 0.4 assign (resid 14 and name HG )(resid 15 and name HN ) 5.0 3.2 0.5 assign (resid 14 and name HD1# )(resid 15 and name HN ) 5.0 3.2 1.5 assign (resid 14 and name HD2# )(resid 15 and name HN ) 5.0 3.2 1.5 assign (resid 14 and name HN )(resid 16 and name HN ) 5.0 3.2 0.5 assign (resid 14 and name HA )(resid 17 and name HN ) 3.9 2.1 0.4 assign (resid 14 and name HA )(resid 18 and name HN ) 5.0 3.2 0.5 ! <========== V15 ==========> assign (resid 15 and name HN )(resid 16 and name HN ) 2.8 1.0 0.3 assign (resid 15 and name HA )(resid 16 and name HN ) 3.9 2.1 0.4 assign (resid 15 and name HB )(resid 16 and name HN ) 2.8 1.0 0.3 assign (resid 15 and name HG1# )(resid 16 and name HN ) 5.0 3.2 1.5 assign (resid 15 and name HG2# )(resid 16 and name HN ) 5.0 3.2 1.5 assign (resid 15 and name HA )(resid 17 and name HN ) 5.0 3.2 0.5 assign (resid 15 and name HA )(resid 18 and name HN ) 5.0 3.2 0.5 assign (resid 15 and name HA )(resid 18 and name HB1 ) 5.0 3.2 0.5 assign (resid 15 and name HA )(resid 18 and name HB2 ) 5.0 3.2 0.5 ! <========== F16 ==========> assign (resid 16 and name HN )(resid 17 and name HN ) 2.8 1.0 0.3 assign (resid 16 and name HA )(resid 17 and name HN ) 3.9 2.1 0.4 assign (resid 16 and name HB1 )(resid 17 and name HN ) 2.8 1.0 0.3 assign (resid 16 and name HB2 )(resid 17 and name HN ) 3.9 2.1 0.4 assign (resid 16 and name HN )(resid 18 and name HN ) 5.0 3.2 0.5 assign (resid 16 and name HA )(resid 18 and name HN ) 5.0 3.2 0.5 assign (resid 16 and name HA )(resid 19 and name HB1 ) 5.0 3.2 0.5 assign (resid 16 and name HA )(resid 19 and name HB2 ) 5.0 3.2 0.5 assign (resid 16 and name HA )(resid 20 and name HN ) 5.0 3.2 0.5 ! <========== G17 ==========> assign (resid 17 and name HN )(resid 18 and name HN ) 3.9 2.1 0.4 assign (resid 17 and name HA# )(resid 18 and name HN ) 2.8 1.0 1.3 assign (resid 17 and name HA# )(resid 20 and name HN ) 2.8 1.0 1.3 assign (resid 17 and name HA# )(resid 21 and name HN ) 2.8 1.0 1.3 ! <========== E18 ==========> assign (resid 18 and name HN )(resid 19 and name HN ) 3.9 2.1 0.4 assign (resid 18 and name HA )(resid 19 and name HN ) 2.8 1.0 0.3 assign (resid 18 and name HB1 )(resid 19 and name HN ) 3.9 2.1 0.4 assign (resid 18 and name HB2 )(resid 19 and name HN ) 3.9 2.1 0.4 assign (resid 18 and name HG1 )(resid 19 and name HN ) 5.0 3.2 0.5 assign (resid 18 and name HG2 )(resid 19 and name HN ) 5.0 3.2 0.5 assign (resid 18 and name HA )(resid 20 and name HN ) 5.0 3.2 0.5 assign (resid 18 and name HA )(resid 21 and name HN ) 2.8 1.0 0.3 ! <========== N19 ==========> assign (resid 19 and name HN )(resid 20 and name HN ) 2.8 1.0 0.3 assign (resid 19 and name HA )(resid 20 and name HN ) 2.8 1.0 0.3 assign (resid 19 and name HB1 )(resid 20 and name HN ) 5.0 3.2 0.5 assign (resid 19 and name HB2 )(resid 20 and name HN ) 3.9 2.1 0.4 assign (resid 19 and name HN )(resid 21 and name HN ) 5.0 3.2 0.5 assign (resid 19 and name HA )(resid 22 and name HN ) 5.0 3.2 0.5 ! <========== G20 ==========> assign (resid 20 and name HN )(resid 21 and name HN ) 2.8 1.0 0.3 assign (resid 20 and name HA# )(resid 21 and name HN ) 2.8 1.0 1.3 assign (resid 20 and name HA# )(resid 22 and name HN ) 3.9 2.1 1.4 assign (resid 20 and name HA# )(resid 23 and name HN ) 5.0 3.2 1.5 ! <========== V21 ==========> assign (resid 21 and name HN )(resid 22 and name HN ) 5.0 3.2 0.5 assign (resid 21 and name HA )(resid 22 and name HN ) 2.8 1.0 0.3 assign (resid 21 and name HB )(resid 22 and name HN ) 2.8 1.0 0.3 assign (resid 21 and name HG1# )(resid 22 and name HN ) 5.0 3.2 1.5 assign (resid 21 and name HG2# )(resid 22 and name HN ) 5.0 3.2 1.5 assign (resid 21 and name HA )(resid 23 and name HN ) 3.9 2.1 0.4 assign (resid 21 and name HA )(resid 24 and name HB1 ) 3.9 2.1 0.4 assign (resid 21 and name HA )(resid 24 and name HB2 ) 5.0 3.2 0.5 ! <========== F22 ==========> assign (resid 22 and name HN )(resid 23 and name HN ) 2.8 1.0 0.3 assign (resid 22 and name HA )(resid 23 and name HN ) 2.8 1.0 0.3 assign (resid 22 and name HB# )(resid 23 and name HN ) 3.9 2.1 1.4 ! <========== F23 ==========> assign (resid 23 and name HN )(resid 24 and name HN ) 2.8 1.0 0.3 assign (resid 23 and name HA )(resid 24 and name HN ) 2.8 1.0 0.3 assign (resid 23 and name HB1 )(resid 24 and name HN ) 3.9 2.1 0.4 assign (resid 23 and name HB2 )(resid 24 and name HN ) 3.9 2.1 0.4 ! <========== Y24 ==========> assign (resid 24 and name HN )(resid 25 and name HN ) 2.8 1.0 0.3 assign (resid 24 and name HA )(resid 25 and name HN ) 2.8 1.0 0.3 assign (resid 24 and name HB1 )(resid 25 and name HN ) 3.9 2.1 0.4 assign (resid 24 and name HB2 )(resid 25 and name HN ) 3.9 2.1 0.4 ! <========== K25 ==========> !============================================================================ ! <========== A2 ==========> assign (resid 2 and name HB# )(resid 4 and name HD* ) 5.0 3.2 3.5 assign (resid 2 and name HB# )(resid 4 and name HE* ) 5.0 3.2 3.5 ! <========== Y4 ==========> assign (resid 4 and name HD* )(resid 8 and name HG1# ) 3.9 2.1 3.4 assign (resid 4 and name HE* )(resid 8 and name HG1# ) 5.0 3.2 3.5 ! <========== V8 ==========> assign (resid 8 and name HG2# )(resid 11 and name HD* ) 5.0 3.2 3.5 assign (resid 8 and name HG1# )(resid 12 and name HD* ) 5.0 3.2 3.5 assign (resid 8 and name HG2# )(resid 12 and name HD* ) 2.8 1.0 3.3 ! <========== F11 ==========> assign (resid 11 and name HD* )(resid 14 and name HD2# ) 5.0 3.2 3.5 assign (resid 11 and name HD* )(resid 14 and name HD1# ) 5.0 3.2 3.5 assign (resid 11 and name HD* )(resid 15 and name HG1# ) 3.9 2.1 3.4 assign (resid 11 and name HD* )(resid 15 and name HG2# ) 5.0 3.2 3.5 ! <========== L13 ==========> assign (resid 13 and name HD* )(resid 16 and name HD* ) 5.0 3.2 4.9 ! <========== V15 ==========> assign (resid 15 and name HG2# )(resid 19 and name HD21 ) 5.0 3.2 1.5 assign (resid 15 and name HG2# )(resid 19 and name HD22 ) 5.0 3.2 1.5
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