NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
623972 | 6be7 | 30355 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: Slant_052117_noe.tbl !-------------------------------------------------------------------------! !NOE Table for SLANT peptide ! !Updated 052117 mds !SLANT, 8mer ASP ASP PRO THR pro arg GLN gln !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 = 170 !long range (j-i >6) = 8 !short range (2 > j-i < 5) = 30 !sequential (i to j) = 48 !intraresidue (i to i) = 84 !------------------------------------------------------------------------! !! BACKBONE !! !! HA-HN !! 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 2 and name HA ) ( resid 2 and name HN ) 3.5 1.2 1.2 assign ( resid 2 and name HA ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 2 and name HA ) ( resid 4 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HA ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HA ) ( resid 4 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HA ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HA ) ( resid 4 and name HN ) 3.5 1.2 1.2 assign ( resid 4 and name HA ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 5 and name HA ) ( resid 6 and name HN ) 3.5 1.2 1.2 assign ( resid 5 and name HA ) ( resid 7 and name HN ) 4.5 1.6 1.6 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 ) 3.5 1.2 1.2 assign ( resid 7 and name HA ) ( resid 7 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HA ) ( resid 1 and name HN ) 2.5 0.7 0.7 assign ( resid 8 and name HA ) ( resid 2 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 !! HA-HA !! assign ( resid 1 and name HA ) ( resid 8 and name HA ) 4.5 1.6 1.6 assign ( resid 3 and name HA ) ( resid 4 and name HA ) 4.5 1.6 1.6 assign ( resid 4 and name HA ) ( resid 3 and name HA ) 4.5 1.6 1.6 assign ( resid 6 and name HA ) ( resid 5 and name HA ) 4.5 1.6 1.6 assign ( resid 6 and name HA ) ( resid 7 and name HA ) 4.5 1.6 1.6 assign ( resid 7 and name HA ) ( resid 6 and name HA ) 4.5 1.6 1.6 !! HN-HN !! assign ( resid 2 and name HN ) ( resid 8 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 assign ( resid 8 and name HN ) ( resid 1 and name HN ) 4.5 1.6 1.6 !! SIDE CHAIN !! assign ( resid 1 and name HB1 ) ( resid 1 and name HN ) 3.5 1.2 1.2 assign ( resid 1 and name HB2 ) ( resid 1 and name HN ) 3.5 1.2 1.2 ! assign ( resid 1 and name HA ) ( resid 6 and name HE ) 4.5 1.6 1.6 assign ( resid 1 and name HB1 ) ( resid 1 and name HA ) 4.5 1.6 1.6 assign ( resid 1 and name HB1 ) ( resid 8 and name HA ) 4.5 1.6 1.6 assign ( resid 1 and name HB2 ) ( resid 1 and name HA ) 4.5 1.6 1.6 ! assign ( resid 2 and name HB2 ) ( resid 6 and name HD# ) 4.5 1.6 1.6 assign ( resid 2 and name HA ) ( resid 1 and name HB2 ) 3.5 1.2 1.2 assign ( resid 2 and name HA ) ( resid 2 and name HB1 ) 3.5 1.2 1.2 assign ( resid 2 and name HB1 ) ( resid 2 and name HN ) 3.5 1.2 1.2 assign ( resid 2 and name HB2 ) ( resid 2 and name HB1 ) 2.5 0.7 0.7 assign ( resid 2 and name HB2 ) ( resid 2 and name HN ) 3.5 1.2 1.2 assign ( resid 2 and name HA ) ( resid 3 and name HG# ) 4.5 1.6 1.6 assign ( resid 2 and name HB1 ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 2 and name HB1 ) ( resid 2 and name HA ) 4.5 1.6 1.6 assign ( resid 2 and name HB1 ) ( resid 3 and name HD2 ) 4.5 1.6 1.6 assign ( resid 2 and name HB1 ) ( resid 4 and name HN ) 4.5 1.6 1.6 ! assign ( resid 2 and name HB1 ) ( resid 8 and name HA ) 4.5 1.6 1.6 assign ( resid 2 and name HB1 ) ( resid 7 and name HN ) 4.5 1.6 1.6 assign ( resid 2 and name HB2 ) ( resid 2 and name HA ) 4.5 1.6 1.6 assign ( resid 2 and name HB2 ) ( resid 3 and name HD2 ) 4.5 1.6 1.6 assign ( resid 2 and name HB2 ) ( resid 4 and name HN ) 4.5 1.6 1.6 assign ( resid 2 and name HB2 ) ( resid 7 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HA ) ( resid 3 and name HB# ) 3.5 1.2 1.2 assign ( resid 3 and name HB1 ) ( resid 3 and name HA ) 3.5 1.2 1.2 assign ( resid 3 and name HD# ) ( resid 3 and name HA ) 3.5 1.2 1.2 assign ( resid 3 and name HD2 ) ( resid 3 and name HG# ) 3.5 1.2 1.2 assign ( resid 3 and name HD2 ) ( resid 4 and name HN ) 3.5 1.2 1.2 assign ( resid 3 and name HG# ) ( resid 3 and name HA ) 3.5 1.2 1.2 assign ( resid 3 and name HG# ) ( resid 3 and name HD2 ) 3.5 1.2 1.2 assign ( resid 3 and name HG# ) ( resid 3 and name HD1 ) 3.5 1.2 1.2 assign ( resid 3 and name HG# ) ( resid 4 and name HN ) 3.5 1.2 1.2 assign ( resid 3 and name HA ) ( resid 6 and name HB2 ) 4.5 1.6 1.6 assign ( resid 3 and name HA ) ( resid 6 and name HE ) 4.5 1.6 1.6 assign ( resid 3 and name HB# ) ( resid 6 and name HE ) 4.5 1.6 1.6 assign ( resid 3 and name HB# ) ( resid 4 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HB1 ) ( resid 3 and name HD1 ) 4.5 1.6 1.6 assign ( resid 3 and name HB1 ) ( resid 3 and name HD2 ) 4.5 1.6 1.6 assign ( resid 3 and name HD1 ) ( resid 2 and name HN ) 4.5 1.6 1.6 ! assign ( resid 3 and name HD1 ) ( resid 7 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HD2 ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HD2 ) ( resid 3 and name HB# ) 4.5 1.6 1.6 assign ( resid 3 and name HD2 ) ( resid 3 and name HB2 ) 4.5 1.6 1.6 assign ( resid 4 and name HB# ) ( resid 4 and name HA ) 3.5 1.2 1.2 assign ( resid 4 and name HB# ) ( resid 4 and name HN ) 3.5 1.2 1.2 assign ( resid 4 and name HG2# ) ( resid 4 and name HA ) 3.5 1.2 1.2 assign ( resid 4 and name HG2# ) ( resid 4 and name HB# ) 3.5 1.2 1.2 assign ( resid 4 and name HA ) ( resid 3 and name HB# ) 4.5 1.6 1.6 assign ( resid 4 and name HB# ) ( resid 7 and name HG1 ) 4.5 1.6 1.6 assign ( resid 4 and name HB# ) ( resid 7 and name HG2 ) 4.5 1.6 1.6 ! assign ( resid 4 and name HG2# ) ( resid 3 and name HD1 ) 4.5 1.6 1.6 assign ( resid 4 and name HG2# ) ( resid 3 and name HG# ) 4.5 1.6 1.6 assign ( resid 4 and name HG2# ) ( resid 4 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HG2# ) ( resid 5 and name HA ) 4.5 1.6 1.6 assign ( resid 4 and name HG2# ) ( resid 5 and name HD2 ) 4.5 1.6 1.6 assign ( resid 4 and name HG2# ) ( resid 5 and name HD1 ) 4.5 1.6 1.6 assign ( resid 4 and name HG2# ) ( resid 5 and name HG# ) 4.5 1.6 1.6 assign ( resid 4 and name HG2# ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HG2# ) ( resid 7 and name HG1 ) 4.5 1.6 1.6 assign ( resid 4 and name HG2# ) ( resid 7 and name HG2 ) 4.5 1.6 1.6 ! assign ( resid 4 and name HG2# ) ( resid 8 and name HB# ) 4.5 1.6 1.6 assign ( resid 5 and name HD2 ) ( resid 5 and name HD1 ) 2.5 0.7 0.7 assign ( resid 5 and name HB# ) ( resid 5 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 HD2 ) ( resid 4 and name HA ) 3.5 1.2 1.2 assign ( resid 5 and name HD2 ) ( resid 5 and name HG# ) 3.5 1.2 1.2 assign ( resid 5 and name HG# ) ( resid 3 and name HA ) 3.5 1.2 1.2 assign ( resid 5 and name HG# ) ( resid 5 and name HA ) 3.5 1.2 1.2 assign ( resid 5 and name HG# ) ( resid 5 and name HD2 ) 3.5 1.2 1.2 assign ( resid 5 and name HG# ) ( resid 5 and name HD1 ) 3.5 1.2 1.2 assign ( resid 5 and name HA ) ( resid 5 and name HD2 ) 4.5 1.6 1.6 assign ( resid 5 and name HA ) ( resid 7 and name HG1 ) 4.5 1.6 1.6 assign ( resid 5 and name HA ) ( resid 7 and name HG2 ) 4.5 1.6 1.6 assign ( resid 5 and name HB# ) ( resid 5 and name HD2 ) 4.5 1.6 1.6 assign ( resid 5 and name HB# ) ( resid 5 and name HD1 ) 4.5 1.6 1.6 assign ( resid 5 and name HB# ) ( resid 6 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 5 and name HA ) 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 HD2 ) ( resid 4 and name HB# ) 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 5 and name HA ) 4.5 1.6 1.6 assign ( resid 5 and name HD2 ) ( resid 5 and name HG# ) 3.5 1.2 1.2 assign ( resid 5 and name HD2 ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 5 and name HG# ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HA ) ( resid 6 and name HB1 ) 3.5 1.2 1.2 assign ( resid 6 and name HA ) ( resid 6 and name HB2 ) 3.5 1.2 1.2 assign ( resid 6 and name HA ) ( resid 6 and name HG1 ) 3.5 1.2 1.2 assign ( resid 6 and name HB1 ) ( resid 6 and name HA ) 3.5 1.2 1.2 assign ( resid 6 and name HB1 ) ( resid 6 and name HN ) 3.5 1.2 1.2 assign ( resid 6 and name HB2 ) ( resid 6 and name HA ) 3.5 1.2 1.2 assign ( resid 6 and name HB2 ) ( resid 6 and name HN ) 3.5 1.2 1.2 assign ( resid 6 and name HG1 ) ( resid 6 and name HA ) 3.5 1.2 1.2 assign ( resid 6 and name HG1 ) ( resid 6 and name HN ) 3.5 1.2 1.2 assign ( resid 6 and name HG2 ) ( resid 6 and name HA ) 3.5 1.2 1.2 ! assign ( resid 6 and name HA ) ( resid 4 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HA ) ( resid 6 and name HE ) 4.5 1.6 1.6 assign ( resid 6 and name HA ) ( resid 6 and name HG2 ) 4.5 1.6 1.6 assign ( resid 6 and name HB1 ) ( resid 3 and name HA ) 4.5 1.6 1.6 assign ( resid 6 and name HB1 ) ( resid 6 and name HD# ) 4.5 1.6 1.6 assign ( resid 6 and name HB1 ) ( resid 6 and name HE ) 4.5 1.6 1.6 assign ( resid 6 and name HB1 ) ( resid 7 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HB2 ) ( resid 6 and name HD# ) 4.5 1.6 1.6 assign ( resid 6 and name HB2 ) ( resid 6 and name HE ) 4.5 1.6 1.6 assign ( resid 6 and name HB2 ) ( resid 7 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HD# ) ( resid 3 and name HA ) 4.5 1.6 1.6 assign ( resid 6 and name HD# ) ( resid 6 and name HB1 ) 4.5 1.6 1.6 assign ( resid 6 and name HD# ) ( resid 6 and name HB2 ) 4.5 1.6 1.6 assign ( resid 6 and name HD# ) ( resid 6 and name HE ) 3.5 1.2 1.2 assign ( resid 6 and name HD# ) ( resid 6 and name HG1 ) 3.5 1.2 1.2 assign ( resid 6 and name HD# ) ( resid 6 and name HG2 ) 3.5 1.2 1.2 assign ( resid 6 and name HG# ) ( resid 8 and name HN ) 3.5 1.2 1.2 assign ( resid 6 and name HG1 ) ( resid 7 and name HN ) 4.5 1.6 1.6 ! assign ( resid 6 and name HG2 ) ( resid 3 and name HA ) 4.5 1.6 1.6 assign ( resid 6 and name HG2 ) ( resid 6 and name HD# ) 3.5 1.2 1.2 assign ( resid 6 and name HG2 ) ( resid 6 and name HE ) 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 HG2 ) ( resid 7 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HB2 ) ( resid 7 and name HB1 ) 2.5 0.7 0.7 assign ( resid 7 and name HG1 ) ( resid 7 and name HG2 ) 2.5 0.7 0.7 assign ( resid 7 and name HG2 ) ( resid 7 and name HG1 ) 2.5 0.7 0.7 assign ( resid 7 and name HG1 ) ( resid 8 and name HA ) 4.5 1.6 1.6 assign ( resid 7 and name HB1 ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HB1 ) ( resid 7 and name HA ) 4.5 1.6 1.6 assign ( resid 7 and name HB1 ) ( resid 7 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HB1 ) ( resid 8 and name HA ) 4.5 1.6 1.6 assign ( resid 7 and name HB1 ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HB2 ) ( resid 2 and name HB1 ) 4.5 1.6 1.6 assign ( resid 7 and name HB2 ) ( resid 2 and name HB2 ) 4.5 1.6 1.6 assign ( resid 7 and name HB2 ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HB2 ) ( resid 6 and name HE ) 4.5 1.6 1.6 assign ( resid 7 and name HB2 ) ( resid 7 and name HA ) 4.5 1.6 1.6 assign ( resid 7 and name HB2 ) ( resid 7 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HG1 ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HG1 ) ( resid 7 and name HA ) 4.5 1.6 1.6 assign ( resid 7 and name HG1 ) ( resid 7 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HG2 ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HG2 ) ( resid 6 and name HA ) 4.5 1.6 1.6 assign ( resid 7 and name HG2 ) ( resid 7 and name HA ) 4.5 1.6 1.6 assign ( resid 7 and name HG2 ) ( resid 7 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HG2 ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HG1 ) ( resid 8 and name HG2 ) 2.5 0.7 0.7 assign ( resid 8 and name HE22 ) ( resid 8 and name HE21 ) 2.5 0.7 0.7 assign ( resid 8 and name HB# ) ( resid 8 and name HA ) 3.5 1.2 1.2 assign ( resid 8 and name HB# ) ( resid 8 and name HN ) 3.5 1.2 1.2 assign ( resid 8 and name HB# ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HG# ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HG# ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HN ) ( resid 6 and name HB1 ) 4.5 1.6 1.6 assign ( resid 8 and name HN ) ( resid 6 and name HE ) 4.5 1.6 1.6
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