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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602009 |
2n1p   |
25570 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!============================================================================ ! > RESTRAINTS FROM ns5bc_noe_1ghz_list.txt ! > SEQUENCE ! HSVSHARPRWXWFSLLLLAAGVGIYLLPN ! ! > DISTANCE RESTRAINTS ! class | [lower limit, upper limits[ | distance restraint ! --------+-------------------------------+--------------------- ! weak | 1 , 3 | 5.0 ! medium | 4 , 5 | 3.9 ! strong | 6 , 20 | 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 ) 2.8 1.0 0.3 assign (resid 1 and name HB# )(resid 2 and name HN ) 2.8 1.0 1.3 ! <========== S2 ==========> assign (resid 2 and name HN )(resid 3 and name HN ) 2.8 1.0 0.3 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 ) 3.9 2.1 1.4 ! <========== V3 ==========> assign (resid 3 and name HN )(resid 4 and name HN ) 2.8 1.0 0.3 assign (resid 3 and name HA )(resid 4 and name HN ) 2.8 1.0 0.3 assign (resid 3 and name HB )(resid 4 and name HN ) 3.9 2.1 0.4 assign (resid 3 and name HG* )(resid 4 and name HN ) 5.0 3.2 2.9 assign (resid 3 and name HA )(resid 6 and name HB# ) 5.0 3.2 1.5 ! <========== S4 ==========> 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 HB2 )(resid 5 and name HN ) 3.9 2.1 0.4 assign (resid 4 and name HB1 )(resid 5 and name HN ) 2.8 1.0 0.3 ! <========== H5 ==========> assign (resid 5 and name HN )(resid 6 and name HN ) 2.8 1.0 0.3 assign (resid 5 and name HA )(resid 6 and name HN ) 2.8 1.0 0.3 assign (resid 5 and name HB1 )(resid 6 and name HN ) 3.9 2.1 0.4 assign (resid 5 and name HB2 )(resid 6 and name HN ) 3.9 2.1 0.4 ! <========== A6 ==========> assign (resid 6 and name HN )(resid 7 and name HN ) 2.8 1.0 0.3 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 ! <========== R7 ==========> assign (resid 7 and name HN )(resid 8 and name HD# ) 5.0 3.2 1.5 assign (resid 7 and name HA )(resid 8 and name HD# ) 2.8 1.0 1.3 assign (resid 7 and name HB1 )(resid 8 and name HD# ) 5.0 3.2 1.5 ! <========== P8 ==========> assign (resid 8 and name HD# )(resid 9 and name HN ) 3.9 2.1 1.4 ! <========== R9 ==========> 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 ) 3.9 2.1 0.4 assign (resid 9 and name HB2 )(resid 10 and name HN ) 3.9 2.1 0.4 assign (resid 9 and name HB1 )(resid 10 and name HN ) 3.9 2.1 0.4 assign (resid 9 and name HG1 )(resid 10 and name HN ) 5.0 3.2 0.5 assign (resid 9 and name HG2 )(resid 10 and name HN ) 5.0 3.2 0.5 assign (resid 9 and name HA )(resid 12 and name HB1 ) 3.9 2.1 0.4 assign (resid 9 and name HA )(resid 12 and name HB2 ) 3.9 2.1 0.4 ! <========== W10 ==========> assign (resid 10 and name HA )(resid 13 and name HB# ) 3.9 2.1 1.4 ! <========== F11 ==========> ! <========== W12 ==========> 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 ) 3.9 2.1 0.4 assign (resid 12 and name HA )(resid 15 and name HN ) 2.8 1.0 0.3 assign (resid 12 and name HA )(resid 15 and name HB1 ) 2.8 1.0 0.3 assign (resid 12 and name HA )(resid 15 and name HB2 ) 2.8 1.0 0.3 assign (resid 12 and name HA )(resid 16 and name HN ) 5.0 3.2 0.5 ! <========== F13 ==========> assign (resid 13 and name HA )(resid 14 and name HN ) 2.8 1.0 0.3 assign (resid 13 and name HB# )(resid 14 and name HN ) 2.8 1.0 1.3 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 ) 2.8 1.0 0.3 assign (resid 13 and name HA )(resid 16 and name HB2 ) 2.8 1.0 0.3 assign (resid 13 and name HA )(resid 17 and name HN ) 5.0 3.2 0.5 ! <========== S14 ==========> 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 ) 2.8 1.0 0.3 assign (resid 14 and name HB# )(resid 15 and name HN ) 3.9 2.1 1.4 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 HB1 ) 2.8 1.0 0.3 assign (resid 14 and name HA )(resid 17 and name HB2 ) 2.8 1.0 0.3 assign (resid 14 and name HA )(resid 17 and name HG ) 5.0 3.2 0.5 assign (resid 14 and name HA )(resid 17 and name HD* ) 5.0 3.2 2.9 assign (resid 14 and name HA )(resid 18 and name HN ) 5.0 3.2 0.5 ! <========== L15 ==========> 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 HD* )(resid 16 and name HN ) 5.0 3.2 2.9 assign (resid 15 and name HN )(resid 17 and name HN ) 5.0 3.2 0.5 assign (resid 15 and name HA )(resid 18 and name HB2 ) 2.8 1.0 0.3 assign (resid 15 and name HA )(resid 18 and name HB1 ) 2.8 1.0 0.3 assign (resid 15 and name HA )(resid 18 and name HD* ) 5.0 3.2 2.9 assign (resid 15 and name HA )(resid 19 and name HN ) 5.0 3.2 0.5 ! <========== L16 ==========> 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 ) 2.8 1.0 0.3 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 HD* )(resid 17 and name HN ) 5.0 3.2 2.9 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 ) 2.8 1.0 0.3 assign (resid 16 and name HA )(resid 19 and name HB# ) 2.8 1.0 1.3 assign (resid 16 and name HA )(resid 20 and name HN ) 5.0 3.2 0.5 ! <========== L17 ==========> 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 ) 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 HD* )(resid 18 and name HN ) 5.0 3.2 2.9 assign (resid 17 and name HN )(resid 19 and name HN ) 5.0 3.2 0.5 assign (resid 17 and name HA )(resid 20 and name HN ) 3.9 2.1 0.4 assign (resid 17 and name HA )(resid 20 and name HB# ) 2.8 1.0 1.3 assign (resid 17 and name HA )(resid 21 and name HN ) 5.0 3.2 0.5 ! <========== L18 ==========> 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 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 HN )(resid 20 and name HN ) 5.0 3.2 0.5 assign (resid 18 and name HA )(resid 21 and name HN ) 5.0 3.2 0.5 assign (resid 18 and name HA )(resid 22 and name HN ) 5.0 3.2 0.5 ! <========== A19 ==========> 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 ) 3.9 2.1 0.4 assign (resid 19 and name HB# )(resid 20 and name HN ) 3.9 2.1 1.4 assign (resid 19 and name HN )(resid 21 and name HN ) 5.0 3.2 0.5 assign (resid 19 and name HA )(resid 21 and name HN ) 5.0 3.2 0.5 assign (resid 19 and name HA )(resid 22 and name HN ) 3.9 2.1 0.4 assign (resid 19 and name HA )(resid 22 and name HB ) 2.8 1.0 0.3 assign (resid 19 and name HA )(resid 22 and name HG1# ) 5.0 3.2 1.5 assign (resid 19 and name HA )(resid 22 and name HG2# ) 5.0 3.2 1.5 assign (resid 19 and name HA )(resid 23 and name HN ) 5.0 3.2 0.5 ! <========== A20 ==========> 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 ) 5.0 3.2 0.5 assign (resid 20 and name HB# )(resid 21 and name HN ) 2.8 1.0 1.3 assign (resid 20 and name HN )(resid 22 and name HN ) 5.0 3.2 0.5 assign (resid 20 and name HA )(resid 22 and name HN ) 5.0 3.2 0.5 assign (resid 20 and name HA )(resid 23 and name HN ) 3.9 2.1 0.4 ! <========== G21 ==========> assign (resid 21 and name HA1 )(resid 22 and name HN ) 3.9 2.1 0.4 assign (resid 21 and name HA1 )(resid 23 and name HN ) 5.0 3.2 0.5 assign (resid 21 and name HA2 )(resid 24 and name HB ) 2.8 1.0 0.3 ! <========== V22 ==========> assign (resid 22 and name HN )(resid 23 and name HN ) 2.8 1.0 0.3 assign (resid 22 and name HB )(resid 23 and name HN ) 2.8 1.0 0.3 assign (resid 22 and name HG1# )(resid 23 and name HN ) 5.0 3.2 1.5 assign (resid 22 and name HG2# )(resid 23 and name HN ) 5.0 3.2 1.5 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 ) 3.9 2.1 0.4 assign (resid 22 and name HA )(resid 25 and name HB1 ) 2.8 1.0 0.3 assign (resid 22 and name HA )(resid 25 and name HB2 ) 2.8 1.0 0.3 ! <========== G23 ==========> assign (resid 23 and name HA# )(resid 24 and name HN ) 3.9 2.1 1.4 assign (resid 23 and name HN )(resid 25 and name HN ) 5.0 3.2 0.5 assign (resid 23 and name HA# )(resid 26 and name HN ) 3.9 2.1 1.4 assign (resid 23 and name HA# )(resid 26 and name HB1 ) 5.0 3.2 1.5 assign (resid 23 and name HA# )(resid 26 and name HB2 ) 2.8 1.0 1.3 assign (resid 23 and name HA# )(resid 27 and name HN ) 5.0 3.2 1.5 ! <========== I24 ==========> assign (resid 24 and name HN )(resid 25 and name HN ) 3.9 2.1 0.4 assign (resid 24 and name HA )(resid 25 and name HN ) 3.9 2.1 0.4 assign (resid 24 and name HB )(resid 25 and name HN ) 3.9 2.1 0.4 assign (resid 24 and name HN )(resid 26 and name HN ) 5.0 3.2 0.5 assign (resid 24 and name HA )(resid 26 and name HN ) 5.0 3.2 0.5 assign (resid 24 and name HA )(resid 27 and name HN ) 5.0 3.2 0.5 assign (resid 24 and name HA )(resid 27 and name HB1 ) 2.8 1.0 0.3 assign (resid 24 and name HA )(resid 27 and name HB2 ) 3.9 2.1 0.4 ! <========== Y25 ==========> assign (resid 25 and name HN )(resid 26 and name HN ) 3.9 2.1 0.4 assign (resid 25 and name HA )(resid 26 and name HN ) 5.0 3.2 0.5 assign (resid 25 and name HB2 )(resid 26 and name HN ) 5.0 3.2 0.5 assign (resid 25 and name HB1 )(resid 26 and name HN ) 3.9 2.1 0.4 assign (resid 25 and name HN )(resid 27 and name HN ) 5.0 3.2 0.5 assign (resid 25 and name HA )(resid 28 and name HB1 ) 5.0 3.2 0.5 assign (resid 25 and name HA )(resid 28 and name HB2 ) 3.9 2.1 0.4 ! <========== L26 ==========> assign (resid 26 and name HN )(resid 27 and name HN ) 3.9 2.1 0.4 assign (resid 26 and name HA )(resid 27 and name HN ) 5.0 3.2 0.5 assign (resid 26 and name HB2 )(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 ! <========== L27 ==========> 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 ) 2.8 1.0 0.3 assign (resid 27 and name HA )(resid 28 and name HD2 ) 2.8 1.0 0.3 assign (resid 27 and name HB1 )(resid 28 and name HD1 ) 5.0 3.2 0.5 assign (resid 27 and name HB2 )(resid 28 and name HD2 ) 5.0 3.2 0.5 assign (resid 27 and name HB1 )(resid 28 and name HD2 ) 5.0 3.2 0.5 assign (resid 27 and name HB2 )(resid 28 and name HD1 ) 5.0 3.2 0.5 assign (resid 27 and name HA )(resid 29 and name HN ) 3.9 2.1 0.4 ! <========== P28 ==========> assign (resid 28 and name HD1 )(resid 29 and name HN ) 2.8 1.0 0.3 assign (resid 28 and name HD2 )(resid 29 and name HN ) 3.9 2.1 0.4 assign (resid 28 and name HA )(resid 29 and name HN ) 3.9 2.1 0.4 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 ) 3.9 2.1 0.4 assign (resid 28 and name HG2 )(resid 29 and name HN ) 2.8 1.0 0.3 ! <========== N29 ==========> assign (resid 29 and name HN )(resid 30 and name HN ) 3.9 2.1 0.4 assign (resid 29 and name HA )(resid 30 and name HN ) 3.9 2.1 0.4 assign (resid 29 and name HB1 )(resid 30 and name HN ) 5.0 3.2 0.5 assign (resid 29 and name HB2 )(resid 30 and name HN ) 5.0 3.2 0.5 ! <========== R30 ==========> !69 ! <========== W12 ==========> assign (resid 9 and name HA )(resid 12 and name HD1 ) 2.8 1.0 0.3 assign (resid 9 and name HA )(resid 12 and name HE1 ) 5.0 3.2 0.5 ! <========== F13 ==========> assign (resid 13 and name HD* )(resid 15 and name HD* ) 5.0 3.2 4.9 assign (resid 13 and name HD* )(resid 16 and name HD* ) 2.8 1.0 4.7 assign (resid 13 and name HD* )(resid 17 and name HD* ) 2.8 1.0 4.7 assign (resid 13 and name HB# )(resid 16 and name HD1# ) 5.0 3.2 2.5 assign (resid 13 and name HB# )(resid 17 and name HD1# ) 5.0 3.2 2.5 assign (resid 13 and name HB# )(resid 16 and name HDB2 ) 5.0 3.2 1.5 ! <========== Y25 ==========> assign (resid 25 and name HD* )(resid 26 and name HD* ) 2.8 1.0 4.7 assign (resid 25 and name HE* )(resid 26 and name HD* ) 3.9 2.1 4.8 assign (resid 25 and name HD* )(resid 28 and name HG2 ) 2.8 1.0 2.3restraints dihedral reset
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