NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
537713 | 2ler | 17726 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
assign (resid 3 and name HB1) (resid 4 and name HN) 3.8 0.8 0.8 assign (resid 4 and name HN) (resid 3 and name HB1) 3.7 0.7 0.7 assign (resid 4 and name HN) (resid 3 and name HB2) 4.2 0.8 0.8 assign (resid 4 and name HN) (resid 3 and name HA) 3.1 1.0 1.0 ! added manually !assign (resid 3 and name HA) (resid 4 and name HN) 3.0 1.0 1.0 close to water assign (resid 4 and name HA) (resid 5 and name HN) 4.5 0.9 0.9 assign (resid 5 and name HN) (resid 4 and name HA) 3.3 0.7 0.7 assign (resid 4 and name HA) (resid 7 and name HN) 5.1 1.0 1.0 assign (resid 7 and name HN) (resid 4 and name HA) 3.9 0.8 0.8 assign (resid 11 and name HN) (resid 4 and name HA) 4.4 0.9 0.9 assign (resid 4 and name HA) (resid 11 and name HN) 5.9 1.2 1.2 assign (resid 10 and name HB2) (resid 4 and name HA) 4.2 0.8 0.8 assign (resid 4 and name HA) (resid 10 and name HB2) 3.8 0.8 0.8 !assign (resid 4 and name HA) (resid 2 and name HA) 5.0 1.0 1.0 close to diagonal assign (resid 4 and name HA) (resid 10 and name HN) 4.4 0.9 0.9 assign (resid 10 and name HN) (resid 4 and name HA) 4.4 0.9 0.9 assign (resid 2 and name HN) (resid 1 and name HB1) 2.7 0.5 0.5 assign (resid 1 and name HB1) (resid 2 and name HN) 3.0 0.6 0.6 assign (resid 2 and name HN) (resid 1 and name HB2) 3.3 0.7 0.7 assign (resid 1 and name HB2) (resid 2 and name HN) 4.4 0.9 0.9 !assign (resid 9 and name HA) (resid 2 and name HA) 2.6 0.5 0.5 misassignment? !assign (resid 2 and name HA) (resid 3 and name HN) 4.0 1.0 1.0 close to water assign (resid 3 and name HN) (resid 2 and name HA) 2.6 0.5 0.5 assign (resid 8 and name HN) (resid 9 and name HN) 3.5 0.7 0.7 assign (resid 9 and name HN) (resid 8 and name HN) 3.5 0.7 0.7 assign (resid 8 and name HN) (resid 9 and name HA) 5.0 1.0 1.0 assign (resid 8 and name HN) (resid 7 and name HB1) 4.7 0.9 0.9 assign (resid 8 and name HN) (resid 7 and name HB2) 5.3 1.1 1.1 assign (resid 7 and name HB2) (resid 8 and name HN) 4.8 1.0 1.0 assign (resid 8 and name HN) (resid 10 and name HN) 3.5 0.7 0.7 !assign (resid 10 and name HN) (resid 8 and name HN) 2.4 0.5 0.5 misassignment? assign (resid 9 and name HN) (resid 8 and name HA) 2.8 0.8 0.8 !signal broaderning assign (resid 9 and name HA) (resid 8 and name HA) 3.6 1.0 1.0 ! distance increased, overlapping assign (resid 11 and name HN) (resid 8 and name HA) 4.6 0.9 0.9 !assign (resid 11 and name HN) (resid 3 and name HN) 2.4 0.5 0.5 misassignment? !assign (resid 3 and name HN) (resid 11 and name HN) 3.1 0.6 0.6 misassignment? assign (resid 2 and name HB1) (resid 3 and name HN) 3.7 0.7 0.7 assign (resid 3 and name HN) (resid 2 and name HB1) 4.0 0.8 0.8 !assign (resid 2 and name HB2) (resid 3 and name HN) 4.3 1.0 1.0 line distortion !assign (resid 3 and name HN) (resid 2 and name HB2) 4.3 1.0 1.0 line distortion !assign (resid 3 and name HA) (resid 6 and name HA) 4.8 1.0 1.0 misassignment? !assign (resid 6 and name HA) (resid 3 and name HA) 4.3 0.9 0.9 assign (resid 9 and name HN) (resid 10 and name HN) 3.0 0.6 0.6 assign (resid 10 and name HN) (resid 9 and name HN) 3.0 0.6 0.6 assign (resid 10 and name HN) (resid 9 and name HA) 3.6 0.7 0.7 assign (resid 11 and name HN) (resid 10 and name HN) 3.0 0.6 0.6 assign (resid 10 and name HN) (resid 11 and name HN) 3.0 0.6 0.6 assign (resid 10 and name HN) (resid 7 and name HB1) 3.8 0.8 0.8 assign (resid 7 and name HB1) (resid 10 and name HN) 5.0 1.0 1.0 !assign ((resid 5 and name HG1) or (resid 5 and name HG2)) (resid 10 and name HN) 4.6 0.9 0.9 misassignment? !assign (resid 10 and name HN) ((resid 5 and name HG1) or (resid 5 and name HG2)) 4.4 0.9 0.9 misassignment? assign (resid 10 and name HN) (resid 9 and name HB1) 3.8 0.8 0.8 assign (resid 10 and name HN) (resid 11 and name HB1) 5.3 1.1 1.1 !assign (resid 11 and name HB2) (resid 10 and name HN) 4.3 0.9 0.9 !assign (resid 10 and name HN) (resid 11 and name HB2) 8.2 1.6 1.6 assign (resid 4 and name HB1) (resid 5 and name HN) 3.8 0.8 0.8 assign (resid 5 and name HN) (resid 4 and name HB1) 3.9 0.8 0.8 assign (resid 5 and name HN) (resid 4 and name HB2) 3.1 0.6 0.6 assign (resid 4 and name HB2) (resid 5 and name HN) 3.4 0.7 0.7 !assign (resid 7 and name HA) (resid 5 and name HA) 5.4 1.1 1.1 misassignment? !assign (resid 5 and name HA) (resid 7 and name HA) 2.9 0.6 0.6 misassignment? assign (resid 7 and name HN) (resid 10 and name HB1) 5.2 1.0 1.0 assign (resid 10 and name HB1) (resid 7 and name HN) 5.1 1.0 1.0 assign (resid 10 and name HB2) (resid 7 and name HN) 5.2 1.0 1.0 assign (resid 7 and name HN) (resid 10 and name HB2) 4.5 0.9 0.9 assign (resid 6 and name HA) (resid 7 and name HN) 4.3 0.9 0.9 assign (resid 7 and name HN) (resid 6 and name HA) 3.7 0.7 0.7 assign (resid 6 and name HG1) (resid 7 and name HN) 3.9 0.8 0.8 assign (resid 7 and name HN) (resid 6 and name HG1) 3.8 0.8 0.8 assign (resid 7 and name HN) (resid 6 and name HG2) 3.9 0.8 0.8 assign (resid 6 and name HG2) (resid 7 and name HN) 4.5 0.9 0.9 assign (resid 8 and name HB2) (resid 9 and name HN) 4.0 0.8 0.8 assign (resid 9 and name HN) (resid 8 and name HB2) 4.0 0.8 0.8 assign (resid 9 and name HN) (resid 7 and name HB1) 4.2 0.8 0.8 assign (resid 9 and name HA) (resid 11 and name HN) 4.6 0.9 0.9 assign (resid 11 and name HN) (resid 9 and name HA) 4.1 0.8 0.8 assign (resid 11 and name HN) (resid 10 and name HB1) 4.1 0.8 0.8 assign (resid 10 and name HB1) (resid 11 and name HN) 4.4 0.9 0.9 assign (resid 10 and name HB2) (resid 11 and name HN) 5.0 1.0 1.0 assign (resid 11 and name HN) (resid 10 and name HB2) 3.9 0.8 0.8 assign (resid 11 and name HA) (resid 1 and name HB1) 3.8 0.8 0.8 assign (resid 1 and name HB1) (resid 11 and name HA) 3.5 0.7 0.7 assign (resid 5 and name HB2) (resid 3 and name HB2) 3.4 0.7 0.7 assign (resid 3 and name HB2) (resid 5 and name HB2) 3.5 0.7 0.7 assign (resid 6 and name HG1) (resid 3 and name HB2) 3.4 0.7 0.7 assign (resid 3 and name HB2) (resid 6 and name HG1) 3.2 0.6 0.6 assign (resid 3 and name HB2) (resid 6 and name HG2) 3.6 0.7 0.7 assign (resid 6 and name HG2) (resid 3 and name HB2) 4.2 0.8 0.8 !assign ((resid 9 and name HG1) or (resid 9 and name HG2)) ((resid 8 and name HE1) or (resid 8 and name HE2)) 6.1 1.2 1.2 assign (resid 9 and name HG) ((resid 8 and name HD1) or (resid 8 and name HD2)) 4.8 1.0 1.0 !assign (resid 9 and name HD1#) ((resid 8 and name HD1) or (resid 8 and name HD2)) 3.9 0.8 0.8 misassignment? assign ((resid 8 and name HD1) or (resid 8 and name HD2)) (resid 9 and name HD1#) 5.0 1.0 1.0 assign (resid 9 and name HD2#) ((resid 8 and name HE1) or (resid 8 and name HE2)) 3.4 0.7 0.7 assign (resid 9 and name HD2#) ((resid 8 and name HD1) or (resid 8 and name HD2)) 3.0 0.6 0.6 assign ((resid 8 and name HD1) or (resid 8 and name HD2)) (resid 9 and name HD2#) 4.4 0.9 0.9 assign (resid 4 and name HN) (resid 4 and name HB1 ) 2.6 0.5 0.5 assign (resid 4 and name HB1) (resid 4 and name HN ) 3.0 0.6 0.6 assign (resid 4 and name HN) (resid 4 and name HB2 ) 2.6 0.5 0.5 assign (resid 4 and name HB2) (resid 4 and name HN ) 2.9 0.6 0.6 assign (resid 4 and name HN) (resid 4 and name HA ) 2.8 0.6 0.6 assign (resid 4 and name HA) (resid 4 and name HN ) 3.9 0.8 0.8 assign (resid 4 and name HB1) (resid 4 and name HA ) 3.2 0.6 0.6 assign (resid 4 and name HA) (resid 4 and name HB2 ) 3.0 0.6 0.6 assign (resid 4 and name HB2) (resid 4 and name HA ) 2.8 0.6 0.6 assign (resid 2 and name HN) (resid 2 and name HB1 ) 3.6 0.7 0.7 assign (resid 2 and name HB1) (resid 2 and name HN ) 3.8 0.8 0.8 assign (resid 2 and name HB2) (resid 2 and name HN ) 3.4 0.7 0.7 assign (resid 2 and name HN) (resid 2 and name HB2 ) 3.4 0.7 0.7 assign (resid 2 and name HN) (resid 2 and name HA ) 3.0 0.6 0.6 assign (resid 2 and name HB1) (resid 2 and name HA ) 3.1 0.6 0.6 assign (resid 2 and name HB2) (resid 2 and name HA ) 2.9 0.6 0.6 assign (resid 8 and name HN) (resid 8 and name HB1 ) 3.3 0.7 0.7 assign (resid 8 and name HB1) (resid 8 and name HN ) 3.1 0.6 0.6 assign (resid 8 and name HN) (resid 8 and name HB2 ) 3.2 0.6 0.6 assign (resid 8 and name HB2) (resid 8 and name HN ) 3.1 0.6 0.6 assign (resid 8 and name HN) ((resid 8 and name HE1 ) or (resid 8 and name HE2 )) 4.1 0.8 0.8 assign ((resid 8 and name HE1 ) or (resid 8 and name HE2 )) (resid 8 and name HN ) 4.7 0.8 0.8 ! diagonal problems assign (resid 8 and name HN) ((resid 8 and name HD1 ) or (resid 8 and name HD2 )) 3.3 0.7 0.7 assign ((resid 8 and name HD1 ) or (resid 8 and name HD2 )) (resid 8 and name HN ) 3.8 0.8 0.8 assign (resid 8 and name HN) (resid 8 and name HA ) 2.7 0.5 0.5 assign (resid 8 and name HA) (resid 8 and name HB1 ) 3.0 1.0 1.0 ! reduced, peak is broad assign (resid 8 and name HB2) (resid 8 and name HA ) 2.8 0.6 0.6 !assign ((resid 8 and name HE1 ) or (resid 8 and name HE2 )) (resid 8 and name HA ) 6.0 1.0 1.0 line distortion !assign (resid 8 and name HA) ((resid 8 and name HE1 ) or (resid 8 and name HE2 )) 7.2 1.4 1.4 line distortion assign (resid 8 and name HA) ((resid 8 and name HD1 ) or (resid 8 and name HD2 )) 5.5 1.1 1.1 assign ((resid 8 and name HD1 ) or (resid 8 and name HD2 )) (resid 8 and name HA ) 4.6 0.9 0.9 assign (resid 3 and name HB1) (resid 3 and name HN ) 3.0 0.6 0.6 assign (resid 3 and name HN) (resid 3 and name HB1 ) 3.1 0.6 0.6 assign (resid 3 and name HB2) (resid 3 and name HN ) 3.1 0.6 0.6 assign (resid 3 and name HN) (resid 3 and name HB2 ) 2.9 0.6 0.6 assign (resid 3 and name HA) (resid 3 and name HN ) 3.3 0.7 0.7 assign (resid 3 and name HN) (resid 3 and name HA ) 2.7 0.5 0.5 assign (resid 3 and name HB1) (resid 3 and name HA ) 2.7 0.5 0.5 assign (resid 3 and name HA) (resid 3 and name HB1 ) 3.1 0.6 0.6 assign (resid 3 and name HA) (resid 3 and name HB2 ) 3.5 0.7 0.7 assign (resid 3 and name HB2) (resid 3 and name HA ) 2.6 0.5 0.5 assign (resid 10 and name HN) (resid 10 and name HA ) 3.7 0.7 0.7 assign (resid 10 and name HN) (resid 10 and name HB1 ) 3.5 0.7 0.7 assign (resid 10 and name HB1) (resid 10 and name HN ) 3.4 0.7 0.7 assign (resid 10 and name HB2) (resid 10 and name HN ) 3.3 0.7 0.7 assign (resid 10 and name HN) (resid 10 and name HB2 ) 2.9 0.6 0.6 assign (resid 10 and name HA) (resid 10 and name HB1 ) 3.2 0.6 0.6 assign (resid 10 and name HB1) (resid 10 and name HA ) 3.0 0.6 0.6 assign (resid 10 and name HA) (resid 10 and name HB2 ) 2.7 0.5 0.5 assign (resid 10 and name HB2) (resid 10 and name HA ) 2.9 0.6 0.6 assign (resid 5 and name HN) (resid 5 and name HB1 ) 3.0 1.0 1.0 ! distance increased, overlapping assign (resid 5 and name HB1) (resid 5 and name HN ) 3.0 1.0 1.0 ! distance increased, overlapping assign (resid 5 and name HB2) (resid 5 and name HN ) 3.0 1.0 1.0 ! distance decreased, broaderning assign (resid 5 and name HN) (resid 5 and name HB2 ) 3.0 1.0 1.0 ! distance decreased, broaderning assign ((resid 5 and name HG1) or (resid 5 and name HG2)) (resid 5 and name HN ) 4.5 0.9 0.9 assign (resid 5 and name HN) ((resid 5 and name HG1) or (resid 5 and name HG2)) 3.7 0.7 0.7 assign ((resid 5 and name HZ1) or (resid 5 and name HZ2)) (resid 5 and name HN ) 5.3 1.1 1.1 assign (resid 5 and name HN) ((resid 5 and name HZ1) or (resid 5 and name HZ2)) 4.3 0.9 0.9 assign (resid 5 and name HN) ((resid 5 and name HE1) or (resid 5 and name HE2)) 4.5 0.9 0.9 assign (resid 5 and name HB2) (resid 5 and name HA ) 3.5 0.7 0.7 assign (resid 5 and name HA) (resid 5 and name HB2 ) 4.0 0.8 0.8 assign (resid 5 and name HA) ((resid 5 and name HG1) or (resid 5 and name HG2)) 3.8 0.8 0.8 assign ((resid 5 and name HG1) or (resid 5 and name HG2)) (resid 5 and name HA ) 3.2 0.6 0.6 assign (resid 5 and name HA) ((resid 5 and name HZ1) or (resid 5 and name HZ2)) 5.5 1.1 1.1 assign (resid 5 and name HA) ((resid 5 and name HE1) or (resid 5 and name HE2)) 4.2 0.8 0.8 assign (resid 7 and name HN) (resid 7 and name HA ) 3.2 0.6 0.6 assign (resid 7 and name HN) (resid 7 and name HB1 ) 3.4 0.7 0.7 assign (resid 7 and name HB1) (resid 7 and name HN ) 3.4 0.7 0.7 assign (resid 7 and name HB2) (resid 7 and name HN ) 3.6 0.7 0.7 assign (resid 7 and name HN) (resid 7 and name HB2 ) 3.7 0.7 0.7 assign (resid 7 and name HA) (resid 7 and name HB1 ) 3.0 0.6 0.6 assign (resid 7 and name HB1) (resid 7 and name HA ) 2.6 0.5 0.5 assign (resid 7 and name HA) (resid 7 and name HB2 ) 3.8 0.8 0.8 assign (resid 7 and name HB2) (resid 7 and name HA ) 3.0 0.6 0.6 assign (resid 9 and name HB1) (resid 9 and name HN ) 4.1 0.8 0.8 assign (resid 9 and name HN) (resid 9 and name HB1 ) 2.9 0.6 0.6 assign (resid 9 and name HB2) (resid 9 and name HN ) 4.0 0.8 0.8 assign (resid 9 and name HN) (resid 9 and name HB2 ) 3.9 0.8 0.8 assign (resid 9 and name HN) (resid 9 and name HG) 3.0 0.6 0.6 assign (resid 9 and name HG) (resid 9 and name HN ) 3.3 0.7 0.7 assign (resid 9 and name HN) (resid 9 and name HD1# ) 4.0 0.8 0.8 assign (resid 9 and name HD2#) (resid 9 and name HN ) 3.5 0.7 0.7 assign (resid 9 and name HN) (resid 9 and name HD2# ) 5.1 1.0 1.0 assign (resid 9 and name HA) (resid 9 and name HB2 ) 3.5 0.7 0.7 assign (resid 9 and name HG) (resid 9 and name HA ) 3.7 0.7 0.7 assign (resid 9 and name HA) (resid 9 and name HD2# ) 4.0 0.6 0.6 ! 3 me assign (resid 9 and name HD2#) (resid 9 and name HA ) 4.0 0.5 0.5 ! 3 me assign (resid 11 and name HA) (resid 11 and name HN ) 3.3 0.7 0.7 assign (resid 11 and name HN) (resid 11 and name HA ) 2.7 0.5 0.5 assign (resid 11 and name HN) (resid 11 and name HB1 ) 3.7 0.7 0.7 assign (resid 11 and name HN) (resid 11 and name HB2 ) 3.0 0.6 0.6 assign (resid 11 and name HB2) (resid 11 and name HN ) 3.0 0.6 0.6 assign (resid 11 and name HB1) (resid 11 and name HA ) 3.5 0.7 0.7 assign (resid 11 and name HB2) (resid 11 and name HA ) 3.3 0.7 0.7 assign (resid 4 and name HB1) (resid 4 and name HB2 ) 2.1 0.4 0.4 assign (resid 4 and name HB2) (resid 4 and name HB1 ) 2.4 0.5 0.5 assign (resid 2 and name HB2) (resid 2 and name HB1 ) 1.8 0.7 0.7 ! vicinal protons assign (resid 2 and name HB1) (resid 2 and name HB2 ) 1.8 0.7 0.7 ! vicinal protons assign (resid 8 and name HB1) (resid 8 and name HB2 ) 1.8 0.4 0.4 assign (resid 8 and name HB2) (resid 8 and name HB1 ) 1.8 0.4 0.4 assign ((resid 8 and name HE1) or (resid 8 and name HE2)) (resid 8 and name HB1 ) 3.9 0.8 0.8 assign (resid 8 and name HB1) ((resid 8 and name HD1 ) or (resid 8 and name HD2 )) 3.1 0.6 0.6 assign ((resid 8 and name HD1 ) or (resid 8 and name HD2 )) (resid 8 and name HB1 ) 3.4 0.7 0.7 !assign ((resid 8 and name HE1) or (resid 8 and name HE2)) (resid 8 and name HB2 ) 5.0 1.5 1.5 line distortion assign ((resid 8 and name HD1 ) or (resid 8 and name HD2 )) (resid 8 and name HB2 ) 3.6 0.7 0.7 assign (resid 8 and name HB2) ((resid 8 and name HD1 ) or (resid 8 and name HD2 )) 3.0 0.6 0.6 assign (resid 3 and name HB1) (resid 3 and name HB2 ) 1.7 0.3 0.3 assign (resid 3 and name HB2) (resid 3 and name HB1 ) 1.8 0.4 0.4 assign (resid 10 and name HB2) (resid 10 and name HB1 ) 2.0 0.4 0.4 assign (resid 10 and name HB1) (resid 10 and name HB2 ) 1.8 0.4 0.4 assign (resid 7 and name HB2) (resid 7 and name HB1 ) 2.0 0.4 0.4 assign (resid 7 and name HB1) (resid 7 and name HB2 ) 2.0 0.4 0.4 assign (resid 5 and name HB2) (resid 5 and name HB1 ) 2.2 0.4 0.4 assign (resid 5 and name HB1) (resid 5 and name HB2 ) 2.3 0.5 0.5 assign ((resid 5 and name HG1) or (resid 5 and name HG2)) (resid 5 and name HB1 ) 2.6 0.5 0.5 assign (resid 5 and name HB1) ((resid 5 and name HG1) or (resid 5 and name HG2)) 2.3 0.5 0.5 !assign ((resid 5 and name HZ1) or (resid 5 and name HZ2)) (resid 5 and name HB1 ) 10.9 2.2 2.2 line distortion assign (resid 5 and name HB2) ((resid 5 and name HG1) or (resid 5 and name HG2)) 2.2 0.4 0.4 assign ((resid 5 and name HG1) or (resid 5 and name HG2)) (resid 5 and name HB2 ) 2.4 0.5 0.5 !assign (resid 5 and name HB2) (resid 5 and name HE* ) 4.0 1.0 1.0 peak is unphased assign ((resid 5 and name HZ1) or (resid 5 and name HZ2)) ((resid 5 and name HG1) or (resid 5 and name HG2)) 5.5 1.1 1.1 assign (resid 9 and name HB1) (resid 9 and name HB2 ) 2.2 0.4 0.4 assign (resid 9 and name HB2) (resid 9 and name HB1 ) 2.4 0.5 0.5 assign (resid 9 and name HG) (resid 9 and name HB1 ) 3.5 0.7 0.7 assign (resid 9 and name HB1) (resid 9 and name HD1# ) 3.6 0.7 0.7 assign (resid 9 and name HB2) (resid 9 and name HG1) 2.3 0.5 0.5 assign (resid 9 and name HG) (resid 9 and name HB2 ) 2.3 0.5 0.5 assign (resid 9 and name HB2) (resid 9 and name HD1# ) 3.2 0.6 0.6 assign (resid 9 and name HB2) (resid 9 and name HD2# ) 3.8 0.8 0.8 assign (resid 9 and name HD2#) (resid 9 and name HG) 1.9 0.4 0.4 assign (resid 9 and name HD2#) (resid 9 and name HD1# ) 2.5 0.5 0.5 assign (resid 9 and name HD1#) (resid 9 and name HD2# ) 2.8 0.6 0.6 assign (resid 6 and name HN) (resid 6 and name HA ) 3.1 0.6 0.6 assign (resid 6 and name HA) (resid 6 and name HN ) 3.2 0.6 0.6 assign (resid 6 and name HB1) (resid 6 and name HN ) 4.2 0.8 0.8 assign (resid 6 and name HN) (resid 6 and name HB1 ) 4.3 0.9 0.9 !assign (resid 6 and name HN) (resid 6 and name HB2 ) 3.0 1.0 1.0 line distortion !assign (resid 6 and name HB2) (resid 6 and name HN ) 3.0 1.0 1.0 line distortion assign (resid 6 and name HN) ((resid 6 and name HD1 ) or (resid 6 and name HD2 )) 2.9 0.6 0.6 assign (resid 6 and name HN) (resid 6 and name HG1 ) 3.6 0.7 0.7 assign (resid 6 and name HG1) (resid 6 and name HN ) 3.3 0.7 0.7 assign (resid 6 and name HN) (resid 6 and name HG2 ) 4.1 0.8 0.8 assign (resid 6 and name HG2) (resid 6 and name HN ) 4.0 0.8 0.8 !assign (resid 6 and name HB1) (resid 6 and name HA ) 3.0 1.0 1.0 close to water !assign (resid 6 and name HA) (resid 6 and name HB1 ) 3.0 1.0 1.0 close to water assign (resid 6 and name HB2) (resid 6 and name HA ) 3.6 0.7 0.7 assign ((resid 6 and name HD1 ) or (resid 6 and name HD2 )) (resid 6 and name HA ) 4.2 0.8 0.8 assign (resid 6 and name HA) ((resid 6 and name HD1 ) or (resid 6 and name HD2 )) 4.5 0.9 0.9 assign (resid 6 and name HG1) (resid 6 and name HA ) 2.9 0.6 0.6 !assign (resid 6 and name HA) (resid 6 and name HG2 ) 4.7 0.9 0.9 assign (resid 6 and name HG2) (resid 6 and name HA ) 3.2 0.6 0.6 assign (resid 6 and name HB1) (resid 6 and name HB2 ) 1.7 0.3 0.3 assign (resid 6 and name HB2) (resid 6 and name HB1 ) 1.7 0.3 0.3 assign (resid 6 and name HB1) ((resid 6 and name HD1 ) or (resid 6 and name HD2 )) 2.4 0.5 0.5 assign ((resid 6 and name HD1 ) or (resid 6 and name HD2 )) (resid 6 and name HB1 ) 2.5 0.5 0.5 assign (resid 6 and name HB1) (resid 6 and name HG1 ) 2.2 0.4 0.4 assign (resid 6 and name HG1) (resid 6 and name HB1 ) 2.5 0.5 0.5 assign ((resid 6 and name HD1 ) or (resid 6 and name HD2 )) (resid 6 and name HB2 ) 2.4 0.5 0.5 assign (resid 6 and name HB2) ((resid 6 and name HD1 ) or (resid 6 and name HD2 )) 2.3 0.5 0.5 assign (resid 6 and name HG1) (resid 6 and name HB2 ) 2.1 0.4 0.4 assign (resid 6 and name HB2) (resid 6 and name HG1 ) 2.3 0.5 0.5 assign (resid 6 and name HB2) (resid 6 and name HG2 ) 2.3 0.5 0.5 assign (resid 6 and name HG2) (resid 6 and name HB2 ) 2.6 0.5 0.5 assign ((resid 6 and name HD1 ) or (resid 6 and name HD2 )) (resid 6 and name HG1 ) 3.9 0.8 0.8 assign (resid 6 and name HG1) ((resid 6 and name HD1 ) or (resid 6 and name HD2 )) 3.9 0.8 0.8 assign (resid 6 and name HG2) ((resid 6 and name HD1 ) or (resid 6 and name HD2 )) 3.9 0.8 0.8 assign ((resid 6 and name HD1 ) or (resid 6 and name HD2 )) (resid 6 and name HG2 ) 4.1 0.8 0.8 assign (resid 6 and name HG1) (resid 6 and name HG2 ) 2.0 0.4 0.4 assign (resid 6 and name HG2) (resid 6 and name HG1 ) 2.4 0.5 0.5 assign ((resid 5 and name HZ1) or (resid 5 and name HZ2)) ((resid 5 and name HE1 ) or (resid 5 and name HE2 )) 2.5 0.5 0.5 assign ((resid 5 and name HE1 ) or (resid 5 and name HE2 )) ((resid 5 and name HZ1) or (resid 5 and name HZ2)) 2.6 0.5 0.5 assign (resid 11 and name HB2) (resid 11 and name HB1 ) 2.3 0.5 0.5 assign ((resid 8 and name HE1) or (resid 8 and name HE2)) ((resid 8 and name HD1 ) or (resid 8 and name HD2 )) 2.8 1.0 1.0 assign ((resid 8 and name HD1 ) or (resid 8 and name HD2 )) ((resid 8 and name HE1) or (resid 8 and name HE2)) 2.8 1.0 1.0
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