NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
623705 |
6beu   |
30363 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: sergey_noe.tbl !-------------------------------------------------------------------------! !NOE Table for Sergey peptide ! !Updated 053117 mds !Sergey, 14mer cys ASN val pro ASP VAL TYR CYS pro asn LYS TYR val pro !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 = 203 !long range (j-i >6) = 33 !short range (2 > j-i < 5) = 8 !sequential (i to j) = 65 !intraresidue (i to i) = 97 !------------------------------------------------------------------------! !! BACKBONE NOEs !! ! 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 ) 4.5 1.6 1.6 assign ( resid 2 and name HA ) ( resid 3 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HA ) ( resid 3 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HA ) ( resid 5 and name HN ) 3.5 1.2 1.2 assign ( resid 5 and name HA ) ( resid 5 and name HN ) 4.5 1.6 1.6 assign ( resid 5 and name HA ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HA ) ( resid 7 and name HN ) 3.5 1.2 1.2 assign ( resid 6 and name HA ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HA ) ( resid 8 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 7 and name HA ) ( resid 13 and name HN ) 3.5 1.2 1.2 assign ( resid 8 and name HA ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 9 and name HA ) ( resid 10 and name HN ) 4.5 1.6 1.6 assign ( resid 10 and name HA ) ( resid 10 and name HN ) 4.5 1.6 1.6 assign ( resid 10 and name HA ) ( resid 11 and name HN ) 4.5 1.6 1.6 assign ( resid 11 and name HA ) ( resid 12 and name HN ) 3.5 1.2 1.2 assign ( resid 11 and name HA ) ( resid 11 and name HN ) 4.5 1.6 1.6 assign ( resid 12 and name HA ) ( resid 13 and name HN ) 3.5 1.2 1.2 assign ( resid 12 and name HA ) ( resid 12 and name HN ) 4.5 1.6 1.6 assign ( resid 13 and name HA ) ( resid 13 and name HN ) 4.5 1.6 1.6 assign ( resid 14 and name HA ) ( resid 1 and name HN ) 2.5 0.7 0.7 ! assign ( resid 14 and name HA ) ( resid 8 and name HN ) 4.5 1.6 1.6 !HN-HN assign ( resid 3 and name HN ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HN ) ( resid 13 and name HN ) 4.5 1.6 1.6 !was not in initial list but in experimental data assign ( resid 7 and name HN ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 11 and name HN ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 11 and name HN ) ( resid 10 and name HN ) 4.5 1.6 1.6 assign ( resid 11 and name HN ) ( resid 12 and name HN ) 4.5 1.6 1.6 assign ( resid 5 and name HN ) ( resid 6 and name HN ) 4.5 1.6 1.6 !was not in initial list but in experimental data assign ( resid 7 and name HN ) ( resid 13 and name HN ) 4.5 1.6 1.6 !was not in initial list but in experimental data assign ( resid 12 and name HN ) ( resid 13 and name HN ) 4.5 1.6 1.6 !was not in initial list but in experimental data !HA-HA assign ( resid 7 and name HA ) ( residue 12 and name HA ) 2.5 0.7 0.7 !!side chain !! assign ( resid 1 and name HB2 ) ( resid 1 and name HN ) 3.5 1.2 1.2 assign ( resid 1 and name HB1 ) ( resid 1 and name HN ) 3.5 1.2 1.2 assign ( resid 1 and name HB2 ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 1 and name HB1 ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 2 and name HB2 ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 2 and name HB1 ) ( resid 2 and name HD21 ) 4.5 1.6 1.6 assign ( resid 2 and name HB1 ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 2 and name HB1 ) ( resid 3 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 HG2#) ( resid 14 and name HD1 ) 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 HD2 ) 4.5 1.6 1.6 assign ( resid 3 and name HG2# ) ( resid 4 and name HD1 ) 4.5 1.6 1.6 assign ( resid 3 and name HG2# ) ( resid 13 and name HB ) 4.5 1.6 1.6 assign ( resid 3 and name HG1# ) ( resid 14 and name HD2 ) 4.5 1.6 1.6 assign ( resid 3 and name HG1# ) ( resid 14 and name HD1 ) 4.5 1.6 1.6 assign ( resid 3 and name HG1# ) ( resid 3 and name HN ) 3.5 1.2 1.2 assign ( resid 3 and name HG1# ) ( resid 4 and name HD2 ) 4.5 1.6 1.6 assign ( resid 3 and name HG1# ) ( resid 4 and name HD1 ) 4.5 1.6 1.6 ! assign ( resid 3 and name HG1# ) ( resid 7 and name HD# ) 4.5 1.6 1.6 assign ( resid 3 and name HG1# ) ( resid 13 and name HB ) 4.5 1.6 1.6 assign ( resid 4 and name HA ) ( resid 4 and name HB1 ) 3.5 1.2 1.2 assign ( resid 4 and name HA ) ( resid 4 and name HB2 ) 3.5 1.2 1.2 assign ( resid 4 and name HA ) ( resid 4 and name HG2 ) 4.5 1.6 1.6 assign ( resid 4 and name HA ) ( resid 4 and name HG1 ) 4.5 1.6 1.6 assign ( resid 4 and name HB2 ) ( resid 5 and name HB# ) 4.5 1.6 1.6 assign ( resid 4 and name HB2 ) ( resid 5 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HB1 ) ( resid 5 and name HB# ) 4.5 1.6 1.6 assign ( resid 4 and name HB1 ) ( resid 5 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HD2 ) ( resid 3 and name HA ) 4.5 1.6 1.6 assign ( resid 4 and name HD2 ) ( resid 4 and name HB2 ) 4.5 1.6 1.6 assign ( resid 4 and name HD2 ) ( resid 4 and name HB1 ) 4.5 1.6 1.6 assign ( resid 4 and name HD2 ) ( resid 4 and name HG2 ) 3.5 1.2 1.2 assign ( resid 4 and name HD2 ) ( resid 4 and name HG1 ) 4.5 1.6 1.6 assign ( resid 4 and name HD1 ) ( resid 3 and name HA ) 4.5 1.6 1.6 assign ( resid 4 and name HD1 ) ( resid 4 and name HB2 ) 4.5 1.6 1.6 assign ( resid 4 and name HD1 ) ( resid 4 and name HB1 ) 4.5 1.6 1.6 assign ( resid 4 and name HD1 ) ( resid 4 and name HG2 ) 4.5 1.6 1.6 assign ( resid 4 and name HD1 ) ( resid 4 and name HG1 ) 3.5 1.2 1.2 assign ( resid 5 and name HB# ) ( resid 5 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HB ) ( resid 7 and name HN ) 3.5 1.2 1.2 assign ( resid 6 and name HA ) ( resid 12 and name HD2 ) 4.5 1.6 1.6 assign ( resid 6 and name HA ) ( resid 12 and name HE2 ) 4.5 1.6 1.6 assign ( resid 6 and name HB ) ( resid 6 and name HA ) 4.5 1.6 1.6 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 HB# ) 4.5 1.6 1.6 assign ( resid 6 and name HB ) ( resid 7 and name HD# ) 4.5 1.6 1.6 assign ( resid 6 and name HB ) ( resid 12 and name HD2 ) 4.5 1.6 1.6 assign ( resid 6 and name HB ) ( resid 12 and name HD1 ) 4.5 1.6 1.6 assign ( resid 6 and name HB ) ( resid 12 and name HE2 ) 4.5 1.6 1.6 assign ( resid 6 and name HG2# ) ( resid 4 and name HA ) 4.5 1.6 1.6 assign ( resid 6 and name HG2# ) ( resid 5 and name HB# ) 4.5 1.6 1.6 assign ( resid 6 and name HG2# ) ( resid 5 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HG2# ) ( resid 6 and name HA ) 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 6 and name HG2# ) ( resid 12 and name HD2 ) 4.5 1.6 1.6 assign ( resid 6 and name HG2# ) ( resid 12 and name HE2 ) 4.5 1.6 1.6 assign ( resid 6 and name HG2# ) ( resid 12 and name HE1 ) 4.5 1.6 1.6 ! assign ( resid 6 and name HG1#) ( resid 2 and name HD21 ) 4.5 1.6 1.6 assign ( resid 6 and name HG1# ) ( resid 4 and name HA ) 4.5 1.6 1.6 assign ( resid 6 and name HG1# ) ( resid 5 and name HB# ) 4.5 1.6 1.6 assign ( resid 6 and name HG1# ) ( resid 5 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HG1# ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HG1# ) ( resid 7 and name HB# ) 4.5 1.6 1.6 assign ( resid 6 and name HG1# ) ( resid 7 and name HD# ) 4.5 1.6 1.6 assign ( resid 6 and name HG1# ) ( resid 7 and name HE# ) 4.5 1.6 1.6 assign ( resid 6 and name HG1# ) ( resid 7 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HG1# ) ( resid 8 and name HN ) 4.5 1.6 1.6 ! assign ( resid 6 and name HG1# ) ( resid 11 and name HN 4.5 1.6 1.6 !maybe artifact, very weak at 500ms on 500mhz not at shorter mixing time or 800mzh data assign ( resid 6 and name HG1# ) ( resid 12 and name HD2 ) 4.5 1.6 1.6 assign ( resid 6 and name HG1# ) ( resid 12 and name HD1 ) 4.5 1.6 1.6 assign ( resid 6 and name HG1# ) ( resid 12 and name HE2 ) 4.5 1.6 1.6 assign ( resid 6 and name HG1# ) ( resid 12 and name HE1 ) 4.5 1.6 1.6 assign ( resid 6 and name HN ) ( resid 7 and name HD# ) 4.5 1.6 1.6 assign ( resid 7 and name HE# ) ( resid 7 and name HD# ) 2.5 0.7 0.7 assign ( resid 7 and name HB# ) ( resid 7 and name HD# ) 3.5 1.2 1.2 assign ( resid 7 and name HB# ) ( resid 7 and name HE# ) 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 HD# ) ( resid 7 and name HN ) 3.5 1.2 1.2 assign ( resid 7 and name HB# ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HD# ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HE# ) ( resid 7 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HB2 ) ( resid 1 and name HA ) 4.5 1.6 1.6 assign ( resid 8 and name HB2 ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HB2 ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HB2 ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HB1 ) ( resid 1 and name HA ) 4.5 1.6 1.6 assign ( resid 8 and name HB1 ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HB1 ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 9 and name HA ) ( resid 9 and name HB1 ) 3.5 1.2 1.2 assign ( resid 9 and name HA ) ( resid 9 and name HB2 ) 3.5 1.2 1.2 assign ( resid 9 and name HA ) ( resid 9 and name HG# ) 4.5 1.6 1.6 assign ( resid 9 and name HB2 ) ( resid 10 and name HN ) 4.5 1.6 1.6 ! assign ( resid 9 and name HD2 ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 9 and name HD2 ) ( resid 9 and name HB2 ) 4.5 1.6 1.6 assign ( resid 9 and name HD2 ) ( resid 9 and name HB1 ) 4.5 1.6 1.6 assign ( resid 9 and name HD2 ) ( resid 9 and name HG# ) 3.5 1.2 1.2 assign ( resid 9 and name HD2 ) ( resid 10 and name HN ) 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 9 and name HB2 ) 4.5 1.6 1.6 assign ( resid 9 and name HD1 ) ( resid 9 and name HB1 ) 4.5 1.6 1.6 assign ( resid 9 and name HD1 ) ( resid 9 and name HG# ) 3.5 1.2 1.2 assign ( resid 9 and name HD1 ) ( resid 10 and name HN ) 4.5 1.6 1.6 assign ( resid 9 and name HG# ) ( resid 10 and name HN ) 4.5 1.6 1.6 ! assign ( resid 9 and name HG# ) ( resid 12 and name HD1 ) 4.5 1.6 1.6 assign ( resid 10 and name HD22 ) ( resid 10 and name HD21 ) 2.5 0.7 0.7 assign ( resid 10 and name HB1 ) ( resid 10 and name HD21 ) 3.5 1.2 1.2 assign ( resid 10 and name HB2 ) ( resid 10 and name HD21 ) 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 10 and name HN ) 4.5 1.6 1.6 assign ( resid 11 and name HB# ) ( resid 11 and name HN ) 3.5 1.2 1.2 assign ( resid 11 and name HB# ) ( resid 12 and name HN ) 3.5 1.2 1.2 assign ( resid 11 and name HA ) ( resid 12 and name HD1 ) 4.5 1.6 1.6 assign ( resid 11 and name HA ) ( resid 12 and name HE1 ) 4.5 1.6 1.6 assign ( resid 11 and name HB# ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 11 and name HB# ) ( resid 11 and name HA ) 4.5 1.6 1.6 assign ( resid 11 and name HG# ) ( resid 11 and name HA ) 4.5 1.6 1.6 assign ( resid 11 and name HG# ) ( resid 11 and name HN ) 4.5 1.6 1.6 assign ( resid 11 and name HG# ) ( resid 12 and name HN ) 4.5 1.6 1.6 assign ( resid 12 and name HA ) ( resid 12 and name HD2 ) 3.5 1.2 1.2 assign ( resid 12 and name HB2 ) ( resid 12 and name HD2 ) 3.5 1.2 1.2 assign ( resid 12 and name HB2 ) ( resid 12 and name HN ) 3.5 1.2 1.2 assign ( resid 12 and name HB1 ) ( resid 12 and name HD2 ) 3.5 1.2 1.2 assign ( resid 12 and name HB1 ) ( resid 12 and name HN ) 3.5 1.2 1.2 assign ( resid 12 and name HA ) ( resid 12 and name HD1 ) 4.5 1.6 1.6 assign ( resid 12 and name HA ) ( resid 12 and name HE2 ) 4.5 1.6 1.6 assign ( resid 12 and name HA ) ( resid 12 and name HE1 ) 4.5 1.6 1.6 assign ( resid 12 and name HB2 ) ( resid 12 and name HD1 ) 4.5 1.6 1.6 assign ( resid 12 and name HB2 ) ( resid 12 and name HE2 ) 4.5 1.6 1.6 assign ( resid 12 and name HB2 ) ( resid 12 and name HE1 ) 4.5 1.6 1.6 assign ( resid 12 and name HB1 ) ( resid 12 and name HD1 ) 4.5 1.6 1.6 assign ( resid 12 and name HB1 ) ( resid 12 and name HE2 ) 4.5 1.6 1.6 assign ( resid 12 and name HB1 ) ( resid 12 and name HE1 ) 4.5 1.6 1.6 assign ( resid 12 and name HB1 ) ( resid 13 and name HN ) 4.5 1.6 1.6 assign ( resid 12 and name HD2 ) ( resid 12 and name HD1 ) 4.5 1.6 1.6 assign ( resid 12 and name HD2 ) ( resid 12 and name HE1 ) 4.5 1.6 1.6 assign ( resid 12 and name HD2 ) ( resid 12 and name HN ) 4.5 1.6 1.6 assign ( resid 12 and name HD2 ) ( resid 13 and name HN ) 4.5 1.6 1.6 assign ( resid 12 and name HD1 ) ( resid 12 and name HN ) 4.5 1.6 1.6 assign ( resid 12 and name HE2 ) ( resid 12 and name HD1 ) 4.5 1.6 1.6 assign ( resid 12 and name HE2 ) ( resid 12 and name HE1 ) 4.5 1.6 1.6 assign ( resid 12 and name HE1 ) ( resid 12 and name HN ) 4.5 1.6 1.6 ! assign ( resid 13 and name HB ) ( resid 12 and name HD1 ) 4.5 1.6 1.6 !too weak ! assign ( resid 13 and name HB ) ( resid 12 and name HE1 ) 4.5 1.6 1.6 assign ( resid 13 and name HB ) ( resid 13 and name HN ) 4.5 1.6 1.6 assign ( resid 13 and name HG* ) ( resid 14 and name HD2 ) 4.5 1.6 1.6 assign ( resid 13 and name HG* ) ( resid 14 and name HD1 ) 4.5 1.6 1.6 assign ( resid 13 and name HG* ) ( resid 3 and name HB ) 4.5 1.6 1.6 assign ( resid 13 and name HG* ) ( resid 3 and name HG2# ) 4.5 1.6 1.6 assign ( resid 13 and name HG* ) ( resid 3 and name HG1# ) 4.5 1.6 1.6 assign ( resid 13 and name HG* ) ( resid 3 and name HN ) 4.5 1.6 1.6 ! assign ( resid 13 and name HG* ) ( resid 5 and name HN ) 4.5 1.6 1.6 assign ( resid 13 and name HG* ) ( resid 6 and name HG1# ) 4.5 1.6 1.6 assign ( resid 13 and name HG* ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 13 and name HG* ) ( resid 12 and name HA ) 4.5 1.6 1.6 assign ( resid 13 and name HG* ) ( resid 12 and name HD2 ) 4.5 1.6 1.6 assign ( resid 13 and name HG* ) ( resid 12 and name HD1 ) 4.5 1.6 1.6 assign ( resid 13 and name HG* ) ( resid 12 and name HE2 ) 4.5 1.6 1.6 assign ( resid 13 and name HG* ) ( resid 12 and name HE1 ) 4.5 1.6 1.6 assign ( resid 13 and name HG* ) ( resid 13 and name HN ) 4.5 1.6 1.6 assign ( resid 13 and name HN ) ( resid 12 and name HD2 ) 4.5 1.6 1.6 assign ( resid 13 and name HN ) ( resid 12 and name HE2 ) 4.5 1.6 1.6 assign ( resid 13 and name HN ) ( resid 12 and name HE1 ) 4.5 1.6 1.6 assign ( resid 14 and name HA ) ( resid 14 and name HB1 ) 3.5 1.2 1.2 assign ( resid 14 and name HD2 ) ( resid 14 and name HG1 ) 3.5 1.2 1.2 assign ( resid 14 and name HD2 ) ( resid 13 and name HA ) 3.5 1.2 1.2 assign ( resid 14 and name HD1 ) ( resid 14 and name HG2 ) 3.5 1.2 1.2 assign ( resid 14 and name HD1 ) ( resid 13 and name HA ) 3.5 1.2 1.2 ! assign ( resid 14 and name HA ) ( resid 14 and name HB2 ) 4.5 1.6 1.6 assign ( resid 14 and name HA ) ( resid 14 and name HG2 ) 4.5 1.6 1.6 assign ( resid 14 and name HA ) ( resid 14 and name HG1 ) 4.5 1.6 1.6 assign ( resid 14 and name HB2 ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 14 and name HB1 ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 14 and name HD2 ) ( resid 14 and name HB2 ) 4.5 1.6 1.6 assign ( resid 14 and name HD2 ) ( resid 14 and name HB1 ) 4.5 1.6 1.6 assign ( resid 14 and name HD2 ) ( resid 14 and name HG2 ) 3.5 1.2 1.2 assign ( resid 14 and name HD1 ) ( resid 14 and name HB2 ) 4.5 1.6 1.6 assign ( resid 14 and name HD1 ) ( resid 14 and name HB1 ) 4.5 1.6 1.6 assign ( resid 14 and name HD1 ) ( resid 14 and name HG1 ) 3.5 1.2 1.2 assign ( resid 14 and name HG2 ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 14 and name HG1 ) ( resid 1 and name HN ) 4.5 1.6 1.6
Contact the webmaster for help, if required. Saturday, May 4, 2024 5:26:50 AM GMT (wattos1)