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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498205 |
2kzq   |
17011 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!============================================================================ ! > RESTRAINTS FROM s34r_noe_list.txt ! > SEQUENCE ! SDLPALSTGLLHLHQNIVDVQYMYGLSPAITKYVVR ! ! > DISTANCE RESTRAINTS ! class | [lower limit, upper limits[ | distance restraint ! --------+-------------------------------+--------------------- ! weak | 0 , 1 | 5.0 ! medium | 1 , 3 | 3.9 ! strong | 3 , 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) !============================================================================ ! <========== S1 ==========> assign (resid 1 and name HA )(resid 2 and name HN ) 2.8 1.0 0.3 assign (resid 1 and name HB# )(resid 2 and name HN ) 3.9 2.1 1.4 ! <========== D2 ==========> assign (resid 2 and name HN )(resid 3 and name HN ) 3.9 2.1 0.4 assign (resid 2 and name HA )(resid 3 and name HN ) 2.8 1.0 0.3 assign (resid 2 and name HB1 )(resid 3 and name HN ) 3.9 2.1 0.4 assign (resid 2 and name HB2 )(resid 3 and name HN ) 3.9 2.1 0.4 ! <========== L3 ==========> assign (resid 3 and name HN )(resid 4 and name HD1 ) 2.8 1.0 0.3 assign (resid 3 and name HN )(resid 4 and name HD2 ) 3.9 2.1 0.4 assign (resid 3 and name HA )(resid 4 and name HD1 ) 3.9 2.1 0.4 assign (resid 3 and name HA )(resid 4 and name HD2 ) 3.9 2.1 0.4 assign (resid 3 and name HB1 )(resid 4 and name HD1 ) 3.9 2.1 0.4 assign (resid 3 and name HB1 )(resid 4 and name HD2 ) 5.0 3.2 0.5 assign (resid 3 and name HB2 )(resid 4 and name HD1 ) 3.9 2.1 0.4 assign (resid 3 and name HB2 )(resid 4 and name HD2 ) 5.0 3.2 0.5 ! <========== P4 ==========> 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 ) 3.9 2.1 0.4 assign (resid 4 and name HG1 )(resid 5 and name HN ) 5.0 3.2 0.5 assign (resid 4 and name HG2 )(resid 5 and name HN ) 5.0 3.2 0.5 assign (resid 4 and name HD1 )(resid 5 and name HN ) 5.0 3.2 0.5 assign (resid 4 and name HD2 )(resid 5 and name HN ) 3.9 2.1 0.4 ! <========== A5 ==========> assign (resid 5 and name HN )(resid 6 and name HN ) 2.8 1.0 0.3 assign (resid 5 and name HB# )(resid 6 and name HN ) 2.8 1.0 1.3 ! <========== L6 ==========> assign (resid 6 and name HN )(resid 7 and name HN ) 2.8 1.0 0.3 assign (resid 6 and name HB# )(resid 7 and name HN ) 2.8 1.0 1.3 ! <========== S7 ==========> assign (resid 7 and name HN )(resid 8 and name HN ) 2.8 1.0 0.3 assign (resid 7 and name HA )(resid 8 and name HN ) 2.8 1.0 0.3 ! <========== T8 ==========> 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 ) 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 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 ) 3.9 2.1 0.4 assign (resid 8 and name HA )(resid 12 and name HN ) 5.0 3.2 0.5 assign (resid 8 and name HG2# )(resid 12 and name HD2 ) 5.0 3.2 1.5 assign (resid 8 and name HG2# )(resid 12 and name HE1 ) 5.0 3.2 1.5 ! <========== G9 ==========> assign (resid 9 and name HA# )(resid 10 and name HN ) 2.8 1.0 1.3 assign (resid 9 and name HA# )(resid 12 and name HN ) 3.9 2.1 1.4 assign (resid 9 and name HA# )(resid 12 and name HB# ) 2.8 1.0 2.3 ! <========== L10 ==========> 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 HB1 )(resid 11 and name HN ) 3.9 2.1 0.4 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 ) 3.9 2.1 0.4 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 ) 2.8 1.0 0.3 ! <========== L11 ==========> assign (resid 11 and name HA )(resid 12 and name HN ) 3.9 2.1 0.4 assign (resid 11 and name HB1 )(resid 12 and name HN ) 2.8 1.0 0.3 assign (resid 11 and name HB2 )(resid 12 and name HN ) 3.9 2.1 0.4 assign (resid 11 and name HG )(resid 12 and name HN ) 5.0 3.2 0.5 assign (resid 11 and name HA )(resid 14 and name HB# ) 2.8 1.0 1.3 assign (resid 11 and name HA )(resid 15 and name HN ) 5.0 3.2 0.5 ! <========== H12 ==========> 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 ) 5.0 3.2 0.5 assign (resid 12 and name HB# )(resid 13 and name HN ) 2.8 1.0 1.3 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 HB1 ) 3.9 2.1 0.4 assign (resid 12 and name HA )(resid 15 and name HB2 ) 3.9 2.1 0.4 assign (resid 12 and name HA )(resid 16 and name HN ) 5.0 3.2 0.5 ! <========== 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 ) 3.9 2.1 0.4 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 ) 3.9 2.1 0.4 assign (resid 13 and name HG )(resid 14 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 ) 2.8 1.0 0.3 assign (resid 13 and name HA )(resid 16 and name HB2 ) 3.9 2.1 0.4 assign (resid 13 and name HA )(resid 17 and name HN ) 5.0 3.2 0.5 ! <========== H14 ==========> assign (resid 14 and name HN )(resid 15 and name HN ) 2.8 1.0 0.3 assign (resid 14 and name HA )(resid 15 and name HN ) 3.9 2.1 0.4 assign (resid 14 and name HB# )(resid 15 and name HN ) 2.8 1.0 1.3 assign (resid 14 and name HN )(resid 16 and name HN ) 5.0 3.2 0.5 assign (resid 14 and name HA )(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 17 and name HB ) 2.8 1.0 0.3 assign (resid 14 and name HA )(resid 18 and name HN ) 5.0 3.2 0.5 assign (resid 14 and name HD2 )(resid 18 and name HG1# ) 3.9 2.1 1.4 assign (resid 14 and name HD2 )(resid 18 and name HG2# ) 5.0 3.2 1.5 assign (resid 14 and name HE1 )(resid 18 and name HG1# ) 3.9 2.1 1.4 assign (resid 14 and name HE1 )(resid 18 and name HG2# ) 5.0 3.2 1.5 ! <========== Q15 ==========> 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 HB1 )(resid 16 and name HN ) 3.9 2.1 0.4 assign (resid 15 and name HB2 )(resid 16 and name HN ) 3.9 2.1 0.4 assign (resid 15 and name HN )(resid 17 and name HN ) 5.0 3.2 0.5 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 ) 3.9 2.1 0.4 assign (resid 15 and name HA )(resid 18 and name HB ) 2.8 1.0 0.3 assign (resid 15 and name HE22 )(resid 18 and name HG1# ) 5.0 3.2 1.5 assign (resid 15 and name HE22 )(resid 18 and name HG2# ) 5.0 3.2 1.5 ! <========== N16 ==========> 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 ) 3.9 2.1 0.4 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 HN ) 3.9 2.1 0.4 assign (resid 16 and name HA )(resid 19 and name HB1 ) 3.9 2.1 0.4 assign (resid 16 and name HA )(resid 19 and name HB2 ) 3.9 2.1 0.4 assign (resid 16 and name HD21 )(resid 20 and name HG1# ) 5.0 3.2 1.5 ! <========== I17 ==========> assign (resid 17 and name HN )(resid 18 and name HN ) 2.8 1.0 0.3 assign (resid 17 and name HA )(resid 18 and name HN ) 3.9 2.1 0.4 assign (resid 17 and name HB )(resid 18 and name HN ) 2.8 1.0 0.3 assign (resid 17 and name HA )(resid 19 and name HN ) 5.0 3.2 0.5 assign (resid 17 and name HA )(resid 20 and name HB ) 2.8 1.0 0.3 ! <========== V18 ==========> assign (resid 18 and name HN )(resid 19 and name HN ) 2.8 1.0 0.3 assign (resid 18 and name HA )(resid 19 and name HN ) 2.8 1.0 0.3 assign (resid 18 and name HB )(resid 19 and name HN ) 2.8 1.0 0.3 assign (resid 18 and name HN )(resid 20 and name HN ) 5.0 3.2 0.5 assign (resid 18 and name HA )(resid 21 and name HB2 ) 3.9 2.1 0.4 assign (resid 18 and name HG2# )(resid 22 and name HD* ) 5.0 3.2 3.5 assign (resid 18 and name HG1# )(resid 22 and name HD* ) 5.0 3.2 3.5 assign (resid 18 and name HA )(resid 22 and name HN ) 5.0 3.2 0.5 ! <========== D19 ==========> assign (resid 19 and name HB1 )(resid 20 and name HN ) 3.9 2.1 0.4 assign (resid 19 and name HB2 )(resid 20 and name HN ) 3.9 2.1 0.4 assign (resid 19 and name HA )(resid 22 and name HN ) 5.0 3.2 0.5 assign (resid 19 and name HA )(resid 22 and name HB# ) 2.8 1.0 1.3 assign (resid 19 and name HA )(resid 23 and name HN ) 5.0 3.2 0.5 ! <========== V20 ==========> assign (resid 20 and name HA )(resid 21 and name HN ) 2.8 1.0 0.3 assign (resid 20 and name HG2# )(resid 21 and name HN ) 5.0 3.2 1.5 assign (resid 20 and name HG1# )(resid 21 and name HN ) 5.0 3.2 1.5 assign (resid 20 and name HA )(resid 22 and name HN ) 5.0 3.2 0.5 assign (resid 20 and name HG1# )(resid 22 and name HE* ) 5.0 3.2 3.5 assign (resid 20 and name HG2# )(resid 22 and name HE* ) 5.0 3.2 3.5 assign (resid 20 and name HA )(resid 23 and name HN ) 3.9 2.1 0.4 assign (resid 20 and name HA )(resid 23 and name HB1 ) 3.9 2.1 0.4 assign (resid 20 and name HA )(resid 23 and name HB2 ) 3.9 2.1 0.4 assign (resid 20 and name HA )(resid 24 and name HN ) 5.0 3.2 0.5 assign (resid 20 and name HA )(resid 24 and name HD* ) 5.0 3.2 2.5 assign (resid 20 and name HG1# )(resid 24 and name HD* ) 5.0 3.2 3.5 assign (resid 20 and name HG2# )(resid 24 and name HD* ) 3.9 2.1 3.4 ! <========== Q21 ==========> assign (resid 21 and name HN )(resid 22 and name HN ) 2.8 1.0 0.3 assign (resid 21 and name HA )(resid 22 and name HN ) 3.9 2.1 0.4 assign (resid 21 and name HB1 )(resid 22 and name HN ) 3.9 2.1 0.4 assign (resid 21 and name HB2 )(resid 22 and name HN ) 3.9 2.1 0.4 assign (resid 21 and name HA )(resid 23 and name HN ) 5.0 3.2 0.5 assign (resid 21 and name HA )(resid 24 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 ) 3.9 2.1 0.4 ! <========== Y22 ==========> 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 ) 3.9 2.1 0.4 assign (resid 22 and name HB# )(resid 23 and name HN ) 2.8 1.0 1.3 assign (resid 22 and name HD* )(resid 23 and name HA ) 5.0 3.2 2.5 assign (resid 22 and name HD* )(resid 23 and name HG2 ) 5.0 3.2 2.5 assign (resid 22 and name HD* )(resid 23 and name HG1 ) 5.0 3.2 2.5 assign (resid 22 and name HA )(resid 24 and name HN ) 5.0 3.2 0.5 assign (resid 22 and name HA )(resid 25 and name HN ) 5.0 3.2 0.5 ! <========== M23 ==========> 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 ) 3.9 2.1 0.4 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 assign (resid 23 and name HA )(resid 26 and name HN ) 5.0 3.2 0.5 ! <========== 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 ! <========== G25 ==========> assign (resid 25 and name HN )(resid 26 and name HN ) 2.8 1.0 0.3 assign (resid 25 and name HA# )(resid 26 and name HN ) 2.8 1.0 1.3 ! <========== L26 ==========> assign (resid 26 and name HN )(resid 27 and name HN ) 2.8 1.0 0.3 assign (resid 26 and name HA )(resid 27 and name HN ) 2.8 1.0 0.3 assign (resid 26 and name HB1 )(resid 27 and name HN ) 3.9 2.1 0.4 assign (resid 26 and name HB2 )(resid 27 and name HN ) 3.9 2.1 0.4 assign (resid 26 and name HA )(resid 29 and name HB# ) 3.9 2.1 1.4 ! <========== S27 ==========> assign (resid 27 and name HN )(resid 28 and name HD1 ) 3.9 2.1 0.4 assign (resid 27 and name HN )(resid 28 and name HD2 ) 3.9 2.1 0.4 assign (resid 27 and name HA )(resid 28 and name HD1 ) 3.9 2.1 0.4 assign (resid 27 and name HA )(resid 28 and name HD2 ) 3.9 2.1 0.4 assign (resid 27 and name HA )(resid 30 and name HN ) 5.0 3.2 0.5 assign (resid 27 and name HA )(resid 30 and name HB ) 3.9 2.1 0.4 assign (resid 27 and name HA )(resid 31 and name HN ) 5.0 3.2 0.5 ! <========== P28 ==========> assign (resid 28 and name HA )(resid 29 and name HN ) 2.8 1.0 0.3 assign (resid 28 and name HB1 )(resid 29 and name HN ) 5.0 3.2 0.5 assign (resid 28 and name HB2 )(resid 29 and name HN ) 3.9 2.1 0.4 assign (resid 28 and name HG1 )(resid 29 and name HN ) 5.0 3.2 0.5 assign (resid 28 and name HG2 )(resid 29 and name HN ) 5.0 3.2 0.5 assign (resid 28 and name HD1 )(resid 29 and name HN ) 5.0 3.2 0.5 assign (resid 28 and name HD2 )(resid 29 and name HN ) 3.9 2.1 0.4 assign (resid 28 and name HA )(resid 30 and name HN ) 5.0 3.2 0.5 assign (resid 28 and name HA )(resid 31 and name HN ) 3.9 2.1 0.4 assign (resid 28 and name HA )(resid 31 and name HG2# ) 5.0 3.2 1.5 ! <========== A29 ==========> assign (resid 29 and name HN )(resid 30 and name HN ) 2.8 1.0 0.3 assign (resid 29 and name HA )(resid 30 and name HN ) 3.9 2.1 0.4 assign (resid 29 and name HB# )(resid 30 and name HN ) 2.8 1.0 1.3 assign (resid 29 and name HA )(resid 31 and name HN ) 5.0 3.2 0.5 assign (resid 29 and name HA )(resid 32 and name HN ) 3.9 2.1 0.4 assign (resid 29 and name HB# )(resid 33 and name HD* ) 5.0 3.2 3.5 ! <========== I30 ==========> assign (resid 30 and name HN )(resid 31 and name HN ) 2.8 1.0 0.3 assign (resid 30 and name HA )(resid 31 and name HN ) 2.8 1.0 0.3 assign (resid 30 and name HB )(resid 31 and name HN ) 3.9 2.1 0.4 assign (resid 30 and name HA )(resid 33 and name HB1 ) 3.9 2.1 0.4 assign (resid 30 and name HA )(resid 33 and name HB2 ) 3.9 2.1 0.4 ! <========== T31 ==========> assign (resid 31 and name HN )(resid 32 and name HN ) 2.8 1.0 0.3 assign (resid 31 and name HA )(resid 32 and name HN ) 3.9 2.1 0.4 assign (resid 31 and name HB )(resid 32 and name HN ) 3.9 2.1 0.4 assign (resid 31 and name HG2# )(resid 32 and name HN ) 5.0 3.2 1.5 assign (resid 31 and name HA )(resid 34 and name HB ) 3.9 2.1 0.4 assign (resid 31 and name HA )(resid 33 and name HD* ) 5.0 3.2 2.5 ! <========== K32 ==========> assign (resid 32 and name HN )(resid 33 and name HN ) 2.8 1.0 0.3 assign (resid 32 and name HA )(resid 33 and name HN ) 2.8 1.0 0.3 assign (resid 32 and name HB1 )(resid 33 and name HN ) 5.0 3.2 0.5 assign (resid 32 and name HB2 )(resid 33 and name HN ) 5.0 3.2 0.5 assign (resid 32 and name HA )(resid 33 and name HD* ) 5.0 3.2 2.5 assign (resid 32 and name HA )(resid 35 and name HB ) 5.0 3.2 0.5 ! <========== Y33 ==========> assign (resid 33 and name HN )(resid 34 and name HN ) 2.8 1.0 0.3 assign (resid 33 and name HA )(resid 34 and name HN ) 3.9 2.1 0.4 assign (resid 33 and name HB1 )(resid 34 and name HN ) 3.9 2.1 0.4 assign (resid 33 and name HB2 )(resid 34 and name HN ) 3.9 2.1 0.4 assign (resid 33 and name HD* )(resid 34 and name HG1# ) 5.0 3.2 3.5 assign (resid 33 and name HD* )(resid 34 and name HG2# ) 3.9 2.1 3.4 ! <========== V34 ==========> assign (resid 34 and name HB )(resid 35 and name HN ) 3.9 2.1 0.4 ! <========== V35 ==========> assign (resid 35 and name HN )(resid 36 and name HN ) 2.8 1.0 0.3 assign (resid 35 and name HA )(resid 36 and name HN ) 2.8 1.0 0.3 assign (resid 35 and name HB )(resid 36 and name HN ) 3.9 2.1 0.4 assign (resid 35 and name HG1# )(resid 36 and name HN ) 5.0 3.2 1.5 assign (resid 35 and name HG2# )(resid 36 and name HN ) 5.0 3.2 1.5 ! <========== R36 ==========>
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