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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624074 |
6beq   |
30359 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: bipolar_noe.tbl !-------------------------------------------------------------------------! !NOE Table for Bipolar peptide ! !Updated 101216 mds !Bipolar, 10mer ALA ALA ARG val pro ARG leu thr PRO GLU !Upper case L-Amino Acid !Lower case D-Amino Acid ! !! NOE binning !! !strong 2.5 0.7 0.7 !medium 3.5 1.2 1.2 !weak 4.5 1.6 1.6 !very weak 5.0 2.0 2.0 !TOTAL NOES = 100 !long range (j-i >6) = 13 !short range (2 > j-i < 5) = 10 !sequential (i to j) = 40 !intraresidue (i to i) = 37 !------------------------------------------------------------------------! !*** Bacbone NOE***! !HN-HA assign ( resid 1 and name HA ) ( resid 1 and name HN ) 3.5 1.2 1.2 assign ( resid 1 and name HA ) ( resid 2 and name HN ) 3.5 1.2 1.2 assign ( resid 1 and name HA ) ( resid 4 and name HN ) 4.5 1.6 1.6 assign ( resid 2 and name HA ) ( resid 2 and name HN ) 3.5 1.2 1.2 assign ( resid 2 and name HA ) ( resid 3 and name HN ) 3.5 1.2 1.2 assign ( resid 3 and name HA ) ( resid 3 and name HN ) 3.5 1.2 1.2 assign ( resid 4 and name HA ) ( resid 4 and name HN ) 3.5 1.2 1.2 assign ( resid 5 and name HA ) ( resid 6 and name HN ) 2.5 0.7 0.7 assign ( resid 6 and name HA ) ( resid 6 and name HN ) 3.5 1.2 1.2 assign ( resid 6 and name HA ) ( resid 7 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HA ) ( resid 8 and name HN ) 2.5 0.7 0.7 assign ( resid 7 and name HA ) ( resid 7 and name HN ) 3.5 1.2 1.2 assign ( resid 8 and name HA ) ( resid 8 and name HN ) 3.5 1.2 1.2 assign ( resid 9 and name HA ) ( resid 10 and name HN ) 3.5 1.2 1.2 assign ( resid 9 and name HA ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 10 and name HA ) ( resid 1 and name HN ) 3.5 1.2 1.2 assign ( resid 10 and name HA ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 10 and name HA ) ( resid 10 and name HN ) 3.5 1.2 1.2 !HA-HA !HN-HN assign ( resid 1 and name HN ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 1 and name HN ) ( resid 10 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HN ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HN ) ( resid 3 and name HN ) 3.5 1.2 1.2 assign ( resid 4 and name HN ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HN ) ( resid 6 and name HN ) 3.5 1.2 1.2 assign ( resid 7 and name HN ) ( resid 8 and name HN ) 4.5 1.6 1.6 !*** SideChain NOE***! ! ALA 1 assign ( resid 1 and name HB# ) ( resid 1 and name HN ) 3.5 1.2 1.2 assign ( resid 1 and name HB# ) ( resid 7 and name HN ) 4.5 1.6 1.6 ! ALA 2 assign ( resid 2 and name HB# ) ( resid 2 and name HN ) 3.5 1.2 1.2 assign ( resid 2 and name HB# ) ( resid 3 and name HN ) 4.5 1.6 1.6 assign ( resid 2 and name HB# ) ( resid 4 and name HN ) 4.5 1.6 1.6 ! ARG 3 assign ( resid 3 and name HB# ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HB# ) ( resid 3 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HD# ) ( resid 3 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HD# ) ( resid 4 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HE ) ( resid 3 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HG2 ) ( resid 3 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HG2 ) ( resid 4 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HG1 ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HG1 ) ( resid 3 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HG1 ) ( resid 4 and name HN ) 4.5 1.6 1.6 ! val 4 assign ( resid 4 and name HB ) ( resid 4 and name HN ) 3.5 1.2 1.2 assign ( resid 4 and name HG# ) ( resid 4 and name HN ) 3.5 1.2 1.2 assign ( resid 4 and name HB ) ( resid 1 and name HA ) 4.5 1.6 1.6 assign ( resid 4 and name HB ) ( resid 3 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HG# ) ( resid 3 and name HN ) 4.5 1.6 1.6 ! pro 5 assign ( resid 5 and name HB# ) ( resid 5 and name HA ) 3.5 1.2 1.2 assign ( resid 5 and name HD2 ) ( resid 4 and name HA ) 3.5 1.2 1.2 assign ( resid 5 and name HD1 ) ( resid 4 and name HA ) 3.5 1.2 1.2 ! assign ( resid 5 and name HB# ) ( resid 6 and name HN ) 4.5 1.6 1.6 ! assign ( resid 5 and name HD2 ) ( resid 3 and name HN ) 4.5 1.6 1.6 assign ( resid 5 and name HD2 ) ( resid 4 and name HN ) 4.5 1.6 1.6 ! assign ( resid 5 and name HD2 ) ( resid 6 and name HN ) 4.5 1.6 1.6 ! assign ( resid 5 and name HD1 ) ( resid 3 and name HN ) 4.5 1.6 1.6 assign ( resid 5 and name HD1 ) ( resid 4 and name HN ) 4.5 1.6 1.6 ! assign ( resid 5 and name HD1 ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 5 and name HG2 ) ( resid 5 and name HD1 ) 4.5 1.6 1.6 assign ( resid 5 and name HG1 ) ( resid 5 and name HD1 ) 3.5 1.2 1.2 assign ( resid 5 and name HG1 ) ( resid 6 and name HN ) 4.5 1.6 1.6 ! ARG 6 assign ( resid 6 and name HB# ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HB# ) ( resid 7 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HD# ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HE ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HG2 ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HG1 ) ( resid 6 and name HE ) 4.5 1.6 1.6 assign ( resid 6 and name HG1 ) ( resid 6 and name HN ) 4.5 1.6 1.6 ! leu 7 assign ( resid 7 and name HB# ) ( resid 8 and name HN ) 3.5 1.2 1.2 assign ( resid 7 and name HG# ) ( resid 7 and name HN ) 3.5 1.2 1.2 assign ( resid 7 and name HB# ) ( resid 1 and name HA ) 4.5 1.6 1.6 assign ( resid 7 and name HB# ) ( resid 7 and name HA ) 3.5 1.2 1.2 assign ( resid 7 and name HB# ) ( resid 7 and name HN ) 3.5 1.2 1.2 assign ( resid 7 and name HD2# ) ( resid 1 and name HA ) 4.5 1.6 1.6 assign ( resid 7 and name HD2# ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HD2# ) ( resid 2 and name HN ) 5.0 2.0 2.0 assign ( resid 7 and name HD2# ) ( resid 5 and name HD1 ) 4.5 1.6 1.6 !assign ( resid 7 and name HD2# ) ( resid 6 and name HE ) 4.5 1.6 1.6 assign ( resid 7 and name HD2# ) ( resid 6 and name HN ) 5.0 2.0 2.0 assign ( resid 7 and name HD2# ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HD2# ) ( resid 9 and name HB# ) 4.5 1.6 1.6 assign ( resid 7 and name HD1# ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HG ) ( resid 1 and name HA ) 4.5 1.6 1.6 assign ( resid 7 and name HG ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HG ) ( resid 10 and name HN ) 4.5 1.6 1.6 ! thr 8 assign ( resid 8 and name HB ) ( resid 8 and name HN ) 3.5 1.2 1.2 assign ( resid 8 and name HG2# ) ( resid 6 and name HE ) 4.5 1.6 1.6 assign ( resid 8 and name HG2# ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HG2# ) ( resid 9 and name HB# ) 4.5 1.6 1.6 assign ( resid 8 and name HG2# ) ( resid 9 and name HD2 ) 4.5 1.6 1.6 assign ( resid 8 and name HG2# ) ( resid 9 and name HD1 ) 4.5 1.6 1.6 ! PRO 9 assign ( resid 9 and name HG2 ) ( resid 9 and name HD2 ) 3.5 1.2 1.2 assign ( resid 9 and name HG1 ) ( resid 9 and name HD2 ) 3.5 1.2 1.2 assign ( resid 9 and name HB1 ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 9 and name HB1 ) ( resid 9 and name HA ) 3.5 1.2 1.2 assign ( resid 9 and name HB1 ) ( resid 10 and name HN ) 4.5 1.6 1.6 ! assign ( resid 9 and name HD2 ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 9 and name HD2 ) ( resid 8 and name HA ) 3.5 1.2 1.2 assign ( resid 9 and name HD2 ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 9 and name HD2 ) ( resid 10 and name HN ) 4.5 1.6 1.6 ! assign ( resid 9 and name HD1 ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 9 and name HD1 ) ( resid 8 and name HA ) 4.5 1.6 1.6 assign ( resid 9 and name HD1 ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 9 and name HD1 ) ( resid 10 and name HN ) 4.5 1.6 1.6 ! GLU 10 assign ( resid 10 and name HB2 ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 10 and name HB2 ) ( resid 10 and name HN ) 4.5 1.6 1.6 assign ( resid 10 and name HB1 ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 10 and name HB1 ) ( resid 10 and name HN ) 4.5 1.6 1.6 assign ( resid 10 and name HG# ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 10 and name HG# ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 10 and name HG# ) ( resid 10 and name HN ) 4.5 1.6 1.6
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