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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623693 |
6bes   |
30361 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: 11cpp_noe.tbl !-------------------------------------------------------------------------! !NOE Table for 11CPP peptide ! !Updated 022317 mds !11cpp, 11mer ala GLN pro cys lys ASP SER tyr cys PRO ser !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 = 85 !long range (j-i >6) = 7 !short range (2 > j-i < 5) = 15 !sequential (i to j) = 25 !intraresidue (i to i) = 38 !------------------------------------------------------------------------! !! BACKBONE NOEs !! ! HA-HN assign ( resid 1 and name HA ) ( resid 1 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 3 and name HA ) ( resid 4 and name HN ) 2.5 0.7 0.7 assign ( resid 3 and name HA ) ( resid 9 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 5 and name HN ) 3.5 1.2 1.2 assign ( resid 4 and name HA ) ( resid 7 and name HN ) 4.5 1.6 1.6 assign ( resid 5 and name HA ) ( resid 6 and name HN ) 2.5 0.7 0.7 assign ( resid 5 and name HA ) ( resid 5 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 ) 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 4 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HA ) ( resid 9 and name HN ) 4.5 1.6 1.6 assign ( resid 9 and name HA ) ( resid 9 and name HN ) 4.5 1.6 1.6 assign ( resid 10 and name HA ) ( resid 11 and name HN ) 2.5 0.7 0.7 assign ( resid 10 and name HA ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 11 and name HA ) ( resid 11 and name HN ) 3.5 1.2 1.2 ! HN-HN assign ( resid 1 and name HN ) ( resid 11 and name HN ) 3.5 1.2 1.2 assign ( resid 4 and name HN ) ( resid 5 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HN ) ( resid 9 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HN ) ( resid 4 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HN ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 9 and name HN ) ( resid 2 and name HN ) 4.5 1.6 1.6 ! HA-HA assign ( resid 4 and name HA ) ( resid 5 and name HA ) 4.5 1.6 1.6 assign ( resid 8 and name HA ) ( resid 3 and name HA ) 4.5 1.6 1.6 !! Side Chain !! assign ( resid 1 and name HB# ) ( resid 1 and name HN ) 3.5 1.2 1.2 assign ( resid 1 and name HB# ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 1 and name HB# ) ( resid 9 and name HB2 ) 4.5 1.6 1.6 assign ( resid 1 and name HB# ) ( resid 9 and name HB1 ) 4.5 1.6 1.6 assign ( resid 2 and name HE22 ) ( resid 2 and name HE21 ) 2.5 0.7 0.7 assign ( resid 2 and name HB1 ) ( resid 2 and name HN ) 3.5 1.2 1.2 assign ( resid 2 and name HG1 ) ( resid 2 and name HN ) 3.5 1.2 1.2 assign ( resid 2 and name HB2 ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 2 and name HG2 ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 2 and name HG2 ) ( resid 11 and name HA ) 4.5 1.6 1.6 assign ( resid 2 and name HG1 ) ( resid 2 and name HE22 ) 4.5 1.6 1.6 assign ( resid 2 and name HG1 ) ( resid 11 and name HA ) 4.5 1.6 1.6 assign ( resid 3 and name HA ) ( resid 8 and name HD1 ) 3.5 1.2 1.2 assign ( resid 3 and name HB2 ) ( resid 3 and name HA ) 3.5 1.2 1.2 assign ( resid 3 and name HA ) ( resid 8 and name HE1 ) 4.5 1.6 1.6 assign ( resid 3 and name HB2 ) ( resid 4 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HB1 ) ( resid 4 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HD# ) ( resid 2 and name HA ) 3.5 1.2 1.2 assign ( resid 3 and name HD# ) ( resid 8 and name HD1 ) 4.5 1.6 1.6 assign ( resid 3 and name HD# ) ( resid 8 and name HE1 ) 4.5 1.6 1.6 assign ( resid 4 and name HB2 ) ( resid 5 and name HN ) 3.5 1.2 1.2 assign ( resid 4 and name HB1 ) ( resid 5 and name HN ) 3.5 1.2 1.2 assign ( resid 4 and name HB2 ) ( resid 4 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HB1 ) ( resid 4 and name HN ) 4.5 1.6 1.6 assign ( resid 5 and name HB# ) ( resid 5 and name HN ) 2.5 0.7 0.7 assign ( resid 5 and name HA ) ( resid 5 and name HN ) 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 HG# ) ( resid 6 and name HN ) 4.5 1.6 1.6 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 HN ) 4.5 1.6 1.6 assign ( resid 7 and name HB# ) ( resid 7 and name HN ) 3.5 1.2 1.2 assign ( resid 7 and name HA ) ( resid 8 and name HD1 ) 4.5 1.6 1.6 assign ( resid 7 and name HB# ) ( resid 8 and name HD1 ) 4.5 1.6 1.6 assign ( resid 7 and name HB# ) ( resid 8 and name HE1 ) 4.5 1.6 1.6 assign ( resid 7 and name HB# ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HB2 ) ( resid 8 and name HD1 ) 3.5 1.2 1.2 assign ( resid 8 and name HB2 ) ( resid 9 and name HN ) 3.5 1.2 1.2 assign ( resid 8 and name HB1 ) ( resid 8 and name HD1 ) 3.5 1.2 1.2 assign ( resid 8 and name HB1 ) ( resid 8 and name HN ) 3.5 1.2 1.2 assign ( resid 8 and name HA ) ( resid 8 and name HD1 ) 4.5 1.6 1.6 assign ( resid 8 and name HB2 ) ( resid 8 and name HE1 ) 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 HB2 ) ( resid 10 and name HD1 ) 4.5 1.6 1.6 assign ( resid 8 and name HB1 ) ( resid 8 and name HE1 ) 4.5 1.6 1.6 assign ( resid 8 and name HB1 ) ( resid 9 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HB1 ) ( resid 10 and name HD1 ) 4.5 1.6 1.6 assign ( resid 8 and name HD1 ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 9 and name HB1 ) ( resid 9 and name HN ) 3.5 1.2 1.2 assign ( resid 9 and name HB2 ) ( resid 4 and name HB2 ) 4.5 1.6 1.6 assign ( resid 9 and name HB2 ) ( resid 4 and name HB1 ) 4.5 1.6 1.6 assign ( resid 9 and name HB2 ) ( resid 9 and name HN ) 4.5 1.6 1.6 assign ( resid 9 and name HB1 ) ( resid 4 and name HB2 ) 4.5 1.6 1.6 assign ( resid 10 and name HB2 ) ( resid 10 and name HA ) 3.5 1.2 1.2 assign ( resid 10 and name HG1 ) ( resid 10 and name HD2 ) 3.5 1.2 1.2 assign ( resid 10 and name HB2 ) ( resid 11 and name HN ) 4.5 1.6 1.6 assign ( resid 10 and name HD2 ) ( resid 9 and name HA ) 4.5 1.6 1.6 assign ( resid 10 and name HG2 ) ( resid 10 and name HD2 ) 3.5 1.2 1.2 assign ( resid 11 and name HB2 ) ( resid 11 and name HN ) 3.5 1.2 1.2 assign ( resid 11 and name HB1 ) ( resid 11 and name HN ) 3.5 1.2 1.2
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