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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573079 |
2m5l   |
19059 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!============================================================================ ! > RESTRAINTS FROM ns5aWT308_noe_iniSeq.txt ! > SEQUENCE ! KFPRAMPIWARPDYNPPLLE ! ! > DISTANCE RESTRAINTS ! class | [lower limit, upper limits[ | distance restraint ! --------+-------------------------------+--------------------- ! weak | 1 , 3 | 5.0 ! medium | 4 , 5 | 3.9 ! strong | 6 , 9 | 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) !============================================================================ ! <========== K1 ==========> ! <========== F2 ==========> assign (resid 2 and name HN )(resid 3 and name HD1 ) 5.0 3.2 0.5 assign (resid 2 and name HN )(resid 3 and name HD2 ) 5.0 3.2 0.5 assign (resid 2 and name HN )(resid 3 and name HG# ) 5.0 3.2 1.5 assign (resid 2 and name HA )(resid 3 and name HD1 ) 2.8 1.0 0.3 assign (resid 2 and name HA )(resid 3 and name HD2 ) 2.8 1.0 0.3 assign (resid 2 and name HA )(resid 3 and name HG# ) 3.9 2.1 1.4 ! <========== P3 ==========> assign (resid 3 and name HA )(resid 4 and name HN ) 2.8 1.0 0.3 assign (resid 3 and name HB1 )(resid 4 and name HN ) 5.0 3.2 0.5 ! <========== R4 ==========> assign (resid 4 and name HA )(resid 5 and name HN ) 2.8 1.0 0.3 ! <========== A5 ==========> assign (resid 5 and name HA )(resid 6 and name HN ) 2.8 1.0 0.3 assign (resid 5 and name HB# )(resid 6 and name HN ) 5.0 3.2 1.5 ! <========== M6 ==========> assign (resid 6 and name HN )(resid 7 and name HD1 ) 5.0 3.2 0.5 assign (resid 6 and name HN )(resid 7 and name HD2 ) 5.0 3.2 0.5 assign (resid 6 and name HA )(resid 7 and name HD1 ) 2.8 1.0 0.3 assign (resid 6 and name HA )(resid 7 and name HD2 ) 2.8 1.0 0.3 assign (resid 6 and name HA )(resid 7 and name HG# ) 5.0 3.2 1.5 ! <========== P7 ==========> 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 ) 2.8 1.0 0.3 assign (resid 7 and name HB2 )(resid 8 and name HN ) 3.9 2.1 0.4 ! assign (resid 7 and name HA )(resid 9 and name HN ) 5.0 3.2 0.5 assign (resid 7 and name HB1 )(resid 9 and name HN ) 5.0 3.2 0.5 assign (resid 7 and name HB2 )(resid 9 and name HN ) 5.0 3.2 0.5 assign (resid 7 and name HB2 )(resid 9 and name HD1 ) 5.0 3.2 0.5 assign (resid 7 and name HD1 )(resid 10 and name HB# ) 5.0 3.2 0.5 assign (resid 7 and name HD2 )(resid 10 and name HB# ) 3.9 2.1 0.4 ! <========== I8 ==========> assign (resid 8 and name HN )(resid 9 and name HN ) 2.8 1.0 0.3 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 HG11 )(resid 9 and name HN ) 5.0 3.2 0.5 assign (resid 8 and name HG12 )(resid 9 and name HN ) 5.0 3.2 0.5 assign (resid 8 and name HG2# )(resid 9 and name HN ) 5.0 3.2 1.5 assign (resid 8 and name HD1# )(resid 9 and name HN ) 5.0 3.2 1.5 assign (resid 8 and name HB )(resid 9 and name HD1 ) 3.9 2.1 0.4 assign (resid 8 and name HG11 )(resid 9 and name HD1 ) 5.0 3.2 0.5 assign (resid 8 and name HG2# )(resid 9 and name HD1 ) 5.0 3.2 1.5 assign (resid 8 and name HD1# )(resid 9 and name HD1 ) 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 HD1# )(resid 10 and name HN ) 5.0 3.2 1.5 assign (resid 8 and name HG2# )(resid 10 and name HN ) 5.0 3.2 1.5 assign (resid 8 and name HA )(resid 11 and name HD# ) 3.9 2.1 1.4 assign (resid 8 and name HA )(resid 11 and name HG1 ) 5.0 3.2 0.5 assign (resid 8 and name HD1# )(resid 11 and name HD# ) 5.0 3.2 2.5 assign (resid 8 and name HG2# )(resid 11 and name HD# ) 5.0 3.2 2.5 assign (resid 8 and name HA )(resid 11 and name HN ) 5.0 3.2 0.5 assign (resid 8 and name HD1# )(resid 14 and name HD* ) 5.0 3.2 3.5 assign (resid 8 and name HG2# )(resid 14 and name HD* ) 5.0 3.2 3.5 assign (resid 8 and name HD1# )(resid 14 and name HE* ) 5.0 3.2 3.5 assign (resid 8 and name HG2# )(resid 14 and name HE* ) 5.0 3.2 3.5 assign (resid 8 and name HD1# )(resid 15 and name HD21 ) 5.0 3.2 1.5 assign (resid 8 and name HG2# )(resid 15 and name HD21 ) 5.0 3.2 1.5 ! <========== W9 ==========> assign (resid 9 and name HN )(resid 10 and name HN ) 3.9 2.1 0.4 assign (resid 9 and name HA )(resid 10 and name HN ) 2.8 1.0 0.3 assign (resid 9 and name HB1 )(resid 10 and name HN ) 5.0 3.2 0.5 assign (resid 9 and name HB2 )(resid 10 and name HN ) 5.0 3.2 0.5 assign (resid 9 and name HH2 )(resid 10 and name HA ) 5.0 3.2 0.5 assign (resid 9 and name HH2 )(resid 10 and name HB# ) 2.8 1.0 1.3 assign (resid 9 and name HE3 )(resid 10 and name HA ) 3.9 2.1 0.4 assign (resid 9 and name HE3 )(resid 10 and name HB# ) 2.8 1.0 1.3 assign (resid 9 and name HZ3 )(resid 10 and name HA ) 5.0 3.2 0.5 assign (resid 9 and name HZ3 )(resid 10 and name HB# ) 3.9 2.1 0.4 ! <========== A10 ==========> assign (resid 10 and name HN )(resid 11 and name HN ) 3.9 2.1 0.4 assign (resid 10 and name HA )(resid 11 and name HN ) 2.8 1.0 0.3 assign (resid 10 and name HB# )(resid 11 and name HN ) 3.9 2.1 1.4 assign (resid 10 and name HB# )(resid 11 and name HD# ) 5.0 3.2 2.5 ! <========== R11 ==========> assign (resid 11 and name HN )(resid 12 and name HD2 ) 5.0 3.2 0.5 assign (resid 11 and name HN )(resid 12 and name HG# ) 5.0 3.2 1.5 assign (resid 11 and name HA )(resid 12 and name HD1 ) 2.8 1.0 0.3 assign (resid 11 and name HA )(resid 12 and name HD2 ) 2.8 1.0 0.3 ! assign (resid 11 and name HD# )(resid 14 and name HD* ) 5.0 3.2 3.5 assign (resid 11 and name HD# )(resid 14 and name HE* ) 5.0 3.2 3.5 ! <========== P12 ==========> assign (resid 12 and name HA )(resid 13 and name HN ) 2.8 1.0 0.3 assign (resid 12 and name HB1 )(resid 13 and name HN ) 3.9 2.1 0.4 assign (resid 12 and name HB2 )(resid 13 and name HN ) 2.8 1.0 0.3 assign (resid 12 and name HG# )(resid 13 and name HN ) 3.9 2.1 1.4 assign (resid 12 and name HD1 )(resid 13 and name HN ) 5.0 3.2 0.5 assign (resid 12 and name HD2 )(resid 13 and name HN ) 5.0 3.2 0.5 ! <========== D13 ==========> assign (resid 13 and name HN )(resid 14 and name HN ) 3.9 2.1 0.4 assign (resid 13 and name HB# )(resid 14 and name HN ) 3.9 2.1 1.4 ! <========== Y14 ==========> 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 ) 5.0 3.2 0.5 assign (resid 14 and name HB2 )(resid 15 and name HN ) 5.0 3.2 0.5 assign (resid 14 and name HD* )(resid 15 and name HN ) 5.0 3.2 2.5 assign (resid 14 and name HD* )(resid 15 and name HA ) 5.0 3.2 2.5 assign (resid 14 and name HD* )(resid 15 and name HB2 ) 5.0 3.2 2.5 assign (resid 14 and name HD* )(resid 15 and name HB1 ) 5.0 3.2 2.5 assign (resid 14 and name HE* )(resid 15 and name HN ) 5.0 3.2 2.5 ! assign (resid 14 and name HD* )(resid 16 and name HG# ) 5.0 3.2 3.5 assign (resid 14 and name HD* )(resid 16 and name HD1 ) 5.0 3.2 2.5 assign (resid 14 and name HD* )(resid 16 and name HD2 ) 5.0 3.2 2.5 assign (resid 14 and name HE* )(resid 16 and name HG# ) 5.0 3.2 3.5 assign (resid 14 and name HE* )(resid 16 and name HD2 ) 5.0 3.2 2.5 ! assign (resid 14 and name HD* )(resid 17 and name HB1 ) 5.0 3.2 2.5 assign (resid 14 and name HD* )(resid 17 and name HB2 ) 5.0 3.2 2.5 assign (resid 14 and name HD* )(resid 17 and name HG# ) 5.0 3.2 3.5 assign (resid 14 and name HE* )(resid 17 and name HB1 ) 3.9 2.1 2.4 assign (resid 14 and name HE* )(resid 17 and name HG# ) 5.0 3.2 3.5 assign (resid 14 and name HE* )(resid 17 and name HD1 ) 5.0 3.2 2.5 assign (resid 14 and name HE* )(resid 17 and name HD2 ) 5.0 3.2 2.5 ! <========== N15 ==========> assign (resid 15 and name HN )(resid 16 and name HD1 ) 5.0 3.2 0.5 assign (resid 15 and name HN )(resid 16 and name HD2 ) 5.0 3.2 0.5 assign (resid 15 and name HA )(resid 16 and name HG# ) 5.0 3.2 1.5 assign (resid 15 and name HA )(resid 16 and name HD1 ) 2.8 1.0 0.3 assign (resid 15 and name HA )(resid 16 and name HD2 ) 2.8 1.0 0.3 assign (resid 15 and name HB1 )(resid 16 and name HD1 ) 5.0 3.2 0.5 assign (resid 15 and name HB1 )(resid 16 and name HD2 ) 5.0 3.2 0.5 assign (resid 15 and name HB2 )(resid 16 and name HD2 ) 5.0 3.2 0.5 ! <========== P16 ==========> assign (resid 16 and name HA )(resid 17 and name HD1 ) 2.8 1.0 0.3 assign (resid 16 and name HA )(resid 17 and name HD2 ) 2.8 1.0 0.3 ! <========== P17 ==========> assign (resid 17 and name HA )(resid 18 and name HN ) 2.8 1.0 0.3 assign (resid 17 and name HB1 )(resid 18 and name HN ) 2.8 1.0 0.3 assign (resid 17 and name HB2 )(resid 18 and name HN ) 3.9 2.1 0.4 assign (resid 17 and name HG# )(resid 18 and name HN ) 5.0 3.2 0.5 assign (resid 17 and name HD1 )(resid 18 and name HN ) 5.0 3.2 0.5 assign (resid 17 and name HD2 )(resid 18 and name HN ) 5.0 3.2 0.5 ! <========== L18 ==========> assign (resid 18 and name HA )(resid 19 and name HN ) 2.8 1.0 0.3 ! <========== L19 ==========> assign (resid 19 and name HN )(resid 20 and name HN ) 3.9 2.1 0.4 assign (resid 19 and name HA )(resid 20 and name HN ) 2.8 1.0 0.3 assign (resid 19 and name HB# )(resid 20 and name HN ) 3.9 2.1 1.4 assign (resid 19 and name HD1# )(resid 20 and name HN ) 5.0 3.2 1.5 assign (resid 19 and name HD2# )(resid 20 and name HN ) 5.0 3.2 1.5 ! <========== E20 ==========>!
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