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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623687 |
6ber   |
30360 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: marie_noe_.tbl !-------------------------------------------------------------------------! !NOE Table for Marie peptide ! !Updated 060817 mds !Marie, 10mer GLU val ASP PRO glu his pro ASN ala 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 = 186 !long range (j-i >6) = 7 !short range (2 > j-i < 5) = 34 !sequential (i to j) = 86 !intraresidue (i to i) = 59 !------------------------------------------------------------------------! !! 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 1 and name HA ) ( resid 3 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 ) 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 4 and name HA ) ( resid 6 and name HN ) 4.5 1.6 1.6 ! assign ( resid 5 and name HA ) ( resid 3 and name HN ) 4.5 1.6 1.6 !real peak in nmr, most concerened about.. (misassigned?) violated in design too far 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 5 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 6 and name HA ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HA ) ( resid 9 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 9 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HA ) ( resid 9 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 9 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 ! not violated in desig but not real in NMR very weak assign ( resid 9 and name HA ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 10 and name HA ) ( resid 1 and name HN ) 2.5 0.4 0.4 !maybe shoul d be strong peak, the intensity is 1E^9 ! assign ( resid 10 and name HA ) ( resid 2 and name HN ) 4.5 1.6 1.6 !! HN-HN !! assign ( resid 2 and name HN ) ( resid 3 and name HN ) 3.5 1.2 1.2 assign ( resid 2 and name HN ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HN ) ( resid 5 and name HN ) 3.5 1.2 1.2 assign ( resid 6 and name HN ) ( resid 9 and name HN ) 4.5 1.6 1.6 assign ( resid 9 and name HN ) ( resid 8 and name HN ) 3.5 1.2 1.2 !! HA-HA !! assign ( resid 2 and name HA ) ( resid 1 and name HA ) 4.5 1.6 1.6 assign ( resid 1 and name HB1 ) ( resid 1 and name HN ) 3.5 1.2 1.2 assign ( resid 1 and name HG# ) ( resid 1 and name HA ) 3.5 1.2 1.2 assign ( resid 1 and name HB2 ) ( resid 1 and name HN ) 4.5 1.6 1.6 assign ( resid 1 and name HB2 ) ( resid 2 and name HA ) 4.5 1.6 1.6 assign ( resid 1 and name HB2 ) ( resid 2 and name HN ) 4.5 1.6 1.6 ! assign ( resid 1 and name HB2 ) ( resid 10 and name HA ) 4.5 1.6 1.6 !too broad and weak, maybe dynamic? assign ( resid 1 and name HB1 ) ( resid 1 and name HA ) 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 1 and name HG# ) ( resid 1 and name HN ) 3.5 1.2 1.2 ! peak is real and maybe should be set to medium too close in design ! assign ( resid 1 and name HG# ) ( resid 2 and name HA ) 4.5 1.6 1.6 ! broad and weak at 500ms maybe dynamic? or diffusion! assign ( resid 1 and name HG# ) ( resid 2 and name HN ) 4.5 1.6 1.6 ! assign ( resid 1 and name HG# ) ( resid 3 and name HN ) 4.5 1.6 1.6 ! broad and weak at 500ms maybe dynamic? or diffusion? ! assign ( resid 1 and name HG# ) ( resid 10 and name HA ) 4.5 1.6 1.6 !too broad and weak, maybe dynamic? 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 ) 3.5 1.2 1.2 assign ( resid 2 and name HG* ) ( resid 2 and name HA ) 3.5 1.2 1.2 assign ( resid 2 and name HG* ) ( resid 2 and name HB ) 3.5 1.2 1.2 assign ( resid 2 and name HG* ) ( resid 2 and name HN ) 3.5 1.2 1.2 assign ( resid 2 and name HG* ) ( resid 3 and name HN ) 3.5 1.2 1.2 assign ( resid 2 and name HB ) ( resid 6 and name HB2 ) 4.5 1.6 1.6 assign ( resid 2 and name HB ) ( resid 6 and name HB1 ) 4.5 1.6 1.6 assign ( resid 2 and name HB ) ( resid 9 and name HB# ) 3.5 1.2 1.2 !missed at first, overlapped with a9/p10 weak peak, too close in design assign ( resid 2 and name HG* ) ( resid 1 and name HA ) 4.5 1.6 1.6 assign ( resid 2 and name HG* ) ( resid 1 and name HB2 ) 4.5 1.6 1.6 assign ( resid 2 and name HG* ) ( resid 1 and name HB1 ) 4.5 1.6 1.6 assign ( resid 2 and name HG* ) ( resid 1 and name HG# ) 4.5 1.6 1.6 ! assign ( resid 2 and name HG* ) ( resid 1 and name HN ) 4.5 1.6 1.6 ! not violated in design but weak peak, maybe spin diffusion assign ( resid 2 and name HG* ) ( resid 3 and name HB2 ) 4.5 1.6 1.6 assign ( resid 2 and name HG* ) ( resid 3 and name HB1 ) 4.5 1.6 1.6 assign ( resid 2 and name HG* ) ( resid 4 and name HA ) 4.5 1.6 1.6 assign ( resid 2 and name HG* ) ( resid 4 and name HD2 ) 4.5 1.6 1.6 assign ( resid 2 and name HG* ) ( resid 4 and name HD1 ) 4.5 1.6 1.6 assign ( resid 2 and name HG* ) ( resid 6 and name HB1 ) 4.5 1.6 1.6 assign ( resid 2 and name HG* ) ( resid 6 and name HD2 ) 4.5 1.6 1.6 assign ( resid 2 and name HG* ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 2 and name HG* ) ( resid 9 and name HB# ) 3.5 1.2 1.2 ! weak real peak under T1 ridge, violated in desgin too close assign ( resid 2 and name HG* ) ( resid 9 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HB1 ) ( resid 3 and name HN ) 3.5 1.2 1.2 ! assign ( resid 3 and name HB2 ) ( resid 2 and name HA ) 4.5 1.6 1.6 !very weak peak @500ms violated in design too far assign ( resid 3 and name HB2 ) ( resid 3 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HB2 ) ( resid 4 and name HA ) 4.5 1.6 1.6 assign ( resid 3 and name HB2 ) ( resid 4 and name HD2 ) 4.5 1.6 1.6 assign ( resid 3 and name HB2 ) ( resid 4 and name HD1 ) 4.5 1.6 1.6 assign ( resid 3 and name HB2 ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HB2 ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HB2 ) ( resid 9 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HB1 ) ( resid 2 and name HA ) 4.5 1.6 1.6 assign ( resid 3 and name HB1 ) ( resid 4 and name HA ) 4.5 1.6 1.6 assign ( resid 3 and name HB1 ) ( resid 4 and name HD2 ) 4.5 1.6 1.6 assign ( resid 3 and name HB1 ) ( resid 4 and name HD1 ) 4.5 1.6 1.6 assign ( resid 3 and name HB1 ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HB1 ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HB1 ) ( resid 9 and name HN ) 4.5 1.6 1.6 ! assign ( resid 3 and name HB1 ) ( resid 10 and name HA ) 4.5 1.6 1.6 ! not even close to being a real peak... assign ( resid 4 and name HD2 ) ( resid 4 and name HG# ) 3.5 1.2 1.2 assign ( resid 4 and name HA ) ( resid 3 and name HB2 ) 4.5 1.6 1.6 assign ( resid 4 and name HA ) ( resid 3 and name HB1 ) 4.5 1.6 1.6 assign ( resid 4 and name HA ) ( resid 6 and name HD2 ) 4.5 1.6 1.6 assign ( resid 4 and name HB2 ) ( resid 5 and name HA ) 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 HB2 ) ( resid 6 and name HN ) 4.5 1.6 1.6 ! assign ( resid 4 and name HB2 ) ( resid 8 and name HN ) 4.5 1.6 1.6 ! assign ( resid 4 and name HB2 ) ( resid 9 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HB1 ) ( resid 4 and name HD2 ) 4.5 1.6 1.6 assign ( resid 4 and name HB1 ) ( resid 4 and name HD1 ) 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 HB1 ) ( resid 6 and name HN ) 4.5 1.6 1.6 ! assign ( resid 4 and name HD2 ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HD2 ) ( resid 3 and name HB2 ) 4.5 1.6 1.6 assign ( resid 4 and name HD2 ) ( resid 3 and name HB1 ) 4.5 1.6 1.6 assign ( resid 4 and name HD2 ) ( resid 3 and name HN ) 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 5 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HD2 ) ( resid 6 and name HN ) 4.5 1.6 1.6 ! assign ( resid 4 and name HD1 ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HD1 ) ( resid 3 and name HB2 ) 4.5 1.6 1.6 assign ( resid 4 and name HD1 ) ( resid 3 and name HB1 ) 4.5 1.6 1.6 assign ( resid 4 and name HD1 ) ( resid 3 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HD1 ) ( resid 4 and name HA ) 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 5 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HD1 ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 5 and name HB2 ) ( resid 5 and name HN ) 3.5 1.2 1.2 assign ( resid 5 and name HB1 ) ( resid 5 and name HN ) 3.5 1.2 1.2 assign ( resid 5 and name HA ) ( resid 6 and name HD2 ) 4.5 1.6 1.6 assign ( resid 5 and name HB2 ) ( resid 4 and name HA ) 4.5 1.6 1.6 assign ( resid 5 and name HB2 ) ( resid 5 and name HA ) 4.5 1.6 1.6 assign ( resid 5 and name HB2 ) ( resid 6 and name HD2 ) 4.5 1.6 1.6 assign ( resid 5 and name HB2 ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 5 and name HB1 ) ( resid 6 and name HD2 ) 4.5 1.6 1.6 assign ( resid 5 and name HB1 ) ( resid 6 and name HN ) 4.5 1.6 1.6 ! assign ( resid 5 and name HG# ) ( resid 1 and name HA ) 4.5 1.6 1.6 assign ( resid 5 and name HG# ) ( resid 5 and name HN ) 4.5 1.6 1.6 assign ( resid 5 and name HG# ) ( resid 6 and name HD2 ) 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 HD2 ) 3.5 1.2 1.2 assign ( resid 6 and name HA ) ( resid 6 and name HD2 ) 4.5 1.6 1.6 assign ( resid 6 and name HB2 ) ( resid 6 and name HD2 ) 4.5 1.6 1.6 assign ( resid 6 and name HB2 ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HB2 ) ( resid 7 and name HA ) 4.5 1.6 1.6 assign ( resid 6 and name HB2 ) ( resid 7 and name HD2 ) 4.5 1.6 1.6 assign ( resid 6 and name HB2 ) ( resid 7 and name HD1 ) 4.5 1.6 1.6 assign ( resid 6 and name HB2 ) ( resid 9 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HB1 ) ( resid 5 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 HB1 ) ( resid 7 and name HA ) 4.5 1.6 1.6 assign ( resid 6 and name HB1 ) ( resid 7 and name HD1 ) 4.5 1.6 1.6 assign ( resid 6 and name HB1 ) ( resid 9 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HD2 ) ( resid 5 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HD2 ) ( resid 6 and name HN ) 4.5 1.6 1.6 ! assign ( resid 6 and name HD2 ) ( resid 9 and name HN ) 4.5 1.6 1.6 !weak peak @500ms, violated on design to far assign ( resid 7 and name HD2 ) ( resid 7 and name HG1 ) 3.5 1.2 1.2 assign ( resid 7 and name HD1 ) ( resid 7 and name HG2 ) 3.5 1.2 1.2 assign ( resid 7 and name HB2 ) ( resid 8 and name HD21) 4.5 1.6 1.6 assign ( resid 7 and name HB2 ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HB2 ) ( resid 9 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HB1 ) ( resid 7 and name HD1 ) 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 HB1 ) ( resid 9 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HD2 ) ( resid 6 and name HA ) 3.5 1.2 1.2 ! real peak, under water, violated in design too close assign ( resid 7 and name HD2 ) ( resid 6 and name HB2 ) 4.5 1.6 1.6 assign ( resid 7 and name HD2 ) ( resid 6 and name HB1 ) 4.5 1.6 1.6 assign ( resid 7 and name HD2 ) ( resid 6 and name HD2 ) 4.5 1.6 1.6 assign ( resid 7 and name HD2 ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HD2 ) ( resid 7 and name HA ) 4.5 1.6 1.6 assign ( resid 7 and name HD2 ) ( resid 7 and name HB2 ) 4.5 1.6 1.6 assign ( resid 7 and name HD2 ) ( resid 7 and name HB1 ) 4.5 1.6 1.6 assign ( resid 7 and name HD2 ) ( resid 7 and name HG2 ) 3.5 1.2 1.2 assign ( resid 7 and name HD1 ) ( resid 5 and name HA ) 4.5 1.6 1.6 assign ( resid 7 and name HD1 ) ( resid 5 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HD1 ) ( resid 6 and name HA ) 3.5 1.2 1.2 ! real peak, under water, violated in design too close assign ( resid 7 and name HD1 ) ( resid 6 and name HB2 ) 4.5 1.6 1.6 assign ( resid 7 and name HD1 ) ( resid 6 and name HB1 ) 4.5 1.6 1.6 assign ( resid 7 and name HD1 ) ( resid 6 and name HD2 ) 4.5 1.6 1.6 assign ( resid 7 and name HD1 ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 7 and name HD1 ) ( resid 7 and name HA ) 4.5 1.6 1.6 assign ( resid 7 and name HD1 ) ( resid 7 and name HB2 ) 4.5 1.6 1.6 assign ( resid 7 and name HD1 ) ( resid 7 and name HB1 ) 4.5 1.6 1.6 ! assign ( resid 7 and name HD1 ) ( resid 7 and name HG1 ) 4.5 1.6 1.6 assign ( resid 7 and name HG1 ) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HD22) ( resid 8 and name HD21) 2.5 0.7 0.7 assign ( resid 8 and name HB2 ) ( resid 8 and name HN ) 3.5 1.2 1.2 ! assign ( resid 8 and name HA ) ( resid 6 and name HD2 ) 4.5 1.6 1.6 assign ( resid 8 and name HA ) ( resid 8 and name HD21) 4.5 1.6 1.6 assign ( resid 8 and name HB2 ) ( resid 7 and name HA ) 4.5 1.6 1.6 assign ( resid 8 and name HB2 ) ( resid 8 and name HA ) 4.5 1.6 1.6 assign ( resid 8 and name HB2 ) ( resid 8 and name HD21) 4.5 1.6 1.6 assign ( resid 8 and name HB2 ) ( resid 8 and name HD22) 4.5 1.6 1.6 assign ( resid 8 and name HB2 ) ( resid 9 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HB1 ) ( resid 7 and name HA ) 4.5 1.6 1.6 assign ( resid 8 and name HB1 ) ( resid 8 and name HA ) 4.5 1.6 1.6 assign ( resid 8 and name HB1 ) ( resid 8 and name HD21) 4.5 1.6 1.6 assign ( resid 8 and name HB1 ) ( resid 8 and name HD22) 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 8 and name HB1 ) ( resid 9 and name HA ) 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 HD21) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HD22) ( resid 8 and name HN ) 4.5 1.6 1.6 assign ( resid 9 and name HB# ) ( resid 9 and name HA ) 3.5 1.2 1.2 assign ( resid 9 and name HB# ) ( resid 9 and name HN ) 3.5 1.2 1.2 assign ( resid 9 and name HB# ) ( resid 10 and name HD1 ) 3.5 1.2 1.2 ! assign ( resid 9 and name HB# ) ( resid 1 and name HN ) 4.5 1.6 1.6 ! not violated in design but not real in NMR very weak assign ( resid 9 and name HB# ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 9 and name HB# ) ( resid 3 and name HB2 ) 4.5 1.6 1.6 assign ( resid 9 and name HB# ) ( resid 3 and name HB1 ) 4.5 1.6 1.6 assign ( resid 9 and name HB# ) ( resid 3 and name HN ) 4.5 1.6 1.6 assign ( resid 9 and name HB# ) ( resid 7 and name HA ) 4.5 1.6 1.6 assign ( resid 9 and name HB# ) ( resid 5 and name HN ) 5.0 2.0 2.0 assign ( resid 9 and name HB# ) ( resid 6 and name HB1 ) 4.5 1.6 1.6 assign ( resid 9 and name HB# ) ( resid 6 and name HD2 ) 4.5 1.6 1.6 assign ( resid 9 and name HB# ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 9 and name HB# ) ( resid 10 and name HA ) 4.5 1.6 1.6 assign ( resid 9 and name HB# ) ( resid 10 and name HD2 ) 4.5 1.6 1.6 assign ( resid 9 and name HB# ) ( resid 10 and name HG# ) 4.5 1.6 1.6 assign ( resid 10 and name HD2 ) ( resid 10 and name HG# ) 3.5 1.2 1.2 assign ( resid 10 and name HA ) ( resid 10 and name HG# ) 4.5 1.6 1.6 assign ( resid 10 and name HB2 ) ( resid 1 and name HN ) 4.5 1.6 1.6 ! of all the side chain proline to 1HN this is only real peak besides ha assign ( resid 10 and name HB2 ) ( resid 10 and name HD2 ) 4.5 1.6 1.6 assign ( resid 10 and name HB2 ) ( resid 10 and name HD1 ) 4.5 1.6 1.6 ! assign ( resid 10 and name HD2 ) ( resid 1 and name HN ) 4.5 1.6 1.6 ! did not find real peak, looks like noise? assign ( resid 10 and name HD2 ) ( resid 9 and name HA ) 3.5 1.2 1.2 assign ( resid 10 and name HD2 ) ( resid 9 and name HN ) 4.5 1.6 1.6 assign ( resid 10 and name HD2 ) ( resid 10 and name HA ) 4.5 1.6 1.6 assign ( resid 10 and name HD2 ) ( resid 10 and name HB2 ) 4.5 1.6 1.6 assign ( resid 10 and name HD2 ) ( resid 10 and name HB1 ) 4.5 1.6 1.6 assign ( resid 10 and name HD1 ) ( resid 9 and name HA ) 3.5 1.2 1.2 assign ( resid 10 and name HD1 ) ( resid 9 and name HN ) 4.5 1.6 1.6 assign ( resid 10 and name HD1 ) ( resid 10 and name HA ) 4.5 1.6 1.6 assign ( resid 10 and name HD1 ) ( resid 10 and name HB2 ) 4.5 1.6 1.6 ! assign ( resid 10 and name HG# ) ( resid 1 and name HN ) 4.5 1.6 1.6 ! broad and weak, also overlap assign ( resid 10 and name HG# ) ( resid 9 and name HA ) 4.5 1.6 1.6 assign ( resid 10 and name HG# ) ( resid 9 and name HN ) 4.5 1.6 1.6 ~
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