NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
6497 | 1j5l | 4754 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!NOE distant restraints ! very strong NOE 2.7 0.9 0.0 ! strong NOE 3.2 1.4 0.0 ! medium NOE 3.6 1.8 0.0 ! weak NOE 4.5 2.7 0.0 ! very weak NOE 5.5 3.7 0.0 assign ( resid 11 and name HG* )(resid 11 and name HD* ) 2.7 0.9 0.000 assign ( resid 24 and name HG1 )(resid 24 and name HD* ) 2.7 0.9 0.000 assign ( resid 23 and name HB2 )(resid 24 and name HD2 ) 2.7 0.9 0.000 assign ( resid 3 and name HN )(resid 3 and name HA ) 2.7 0.9 0.000 assign ( resid 5 and name HB1 )(resid 5 and name HA ) 2.7 0.9 0.000 assign ( resid 19 and name HB* )(resid 19 and name HA ) 3.6 1.8 0.000 assign ( resid 26 and name HN )(resid 25 and name HA ) 2.7 0.9 0.000 assign ( resid 31 and name HN )(resid 30 and name HA ) 2.7 0.9 0.000 assign ( resid 11 and name HN )(resid 10 and name HA ) 2.7 0.9 0.000 assign ( resid 5 and name HB2 )(resid 4 and name HB1 ) 2.7 0.9 0.000 assign ( resid 4 and name HB2 )(resid 4 and name HA ) 2.7 0.9 0.000 assign ( resid 21 and name HN )(resid 20 and name HN ) 2.7 0.9 0.000 assign ( resid 12 and name HN )(resid 11 and name HN ) 2.7 0.9 0.000 assign ( resid 29 and name HN )(resid 29 and name HB1 ) 3.2 1.4 0.000 assign ( resid 5 and name HB1 )(resid 21 and name HG2* ) 3.7 1.9 0.000 assign ( resid 17 and name HB* )(resid 17 and name HA ) 3.2 1.4 0.000 assign ( resid 30 and name HD2 )(resid 29 and name HB2 ) 3.2 1.4 0.000 assign ( resid 19 and name HN )(resid 19 and name HB* ) 3.7 1.9 0.000 assign ( resid 22 and name HN )(resid 21 and name HN ) 3.2 1.4 0.000 assign ( resid 26 and name HN )(resid 26 and name HB1 ) 3.2 1.4 0.000 assign ( resid 21 and name HN )(resid 21 and name HB ) 3.2 1.4 0.000 assign ( resid 17 and name HN )(resid 17 and name HB* ) 3.2 1.4 0.000 assign ( resid 12 and name HN )(resid 12 and name HB1 ) 3.2 1.4 0.000 assign ( resid 18 and name HN )(resid 18 and name HB1 ) 3.2 1.4 0.000 assign ( resid 17 and name HG2 )(resid 17 and name HA ) 3.2 1.4 0.000 assign ( resid 18 and name HN )(resid 18 and name HB2 ) 3.2 1.4 0.000 assign ( resid 10 and name HB* )(resid 10 and name HA ) 3.2 1.4 0.000 assign ( resid 20 and name HG1 )(resid 20 and name HB1 ) 3.2 1.4 0.000 assign ( resid 30 and name HD2 )(resid 29 and name HA ) 3.2 1.4 0.000 assign ( resid 6 and name HN )(resid 6 and name HB1 ) 3.2 1.4 0.000 assign ( resid 5 and name HN )(resid 5 and name HB1 ) 3.2 1.4 0.000 assign ( resid 6 and name HN )(resid 5 and name HN ) 3.2 1.4 0.000 assign ( resid 20 and name HN )(resid 20 and name HG1 ) 3.2 1.4 0.000 assign ( resid 10 and name HN )(resid 9 and name HA2 ) 3.2 1.4 0.000 assign ( resid 22 and name HN )(resid 21 and name HB ) 3.2 1.4 0.000 assign ( resid 20 and name HN )(resid 20 and name HB2 ) 3.2 1.4 0.000 assign ( resid 17 and name HN )(resid 18 and name HN ) 3.2 1.4 0.000 assign ( resid 10 and name HN )(resid 10 and name HB* ) 3.6 1.8 0.000 assign ( resid 9 and name HN )(resid 9 and name HA1 ) 3.6 1.8 0.000 assign ( resid 19 and name HN )(resid 18 and name HB2 ) 3.6 1.8 0.000 assign ( resid 29 and name HN )(resid 28 and name HN ) 3.6 1.8 0.000 assign ( resid 9 and name HN )(resid 9 and name HA2 ) 3.6 1.8 0.000 assign ( resid 3 and name HN )(resid 3 and name HB2 ) 3.6 1.8 0.000 assign ( resid 7 and name HN )(resid 6 and name HN ) 3.6 1.8 0.000 assign ( resid 22 and name HN )(resid 22 and name HB1 ) 3.6 1.8 0.000 assign ( resid 24 and name HN )(resid 24 and name HA ) 3.6 1.8 0.000 assign ( resid 7 and name HN )(resid 7 and name HB ) 3.6 1.8 0.000 assign ( resid 17 and name HN )(resid 17 and name HG2 ) 3.6 1.8 0.000 assign ( resid 20 and name HN )(resid 19 and name HN ) 3.6 1.8 0.000 assign ( resid 22 and name HB1 )(resid 22 and name HA ) 3.6 1.8 0.000 assign ( resid 19 and name HN )(resid 19 and name HA ) 3.6 1.8 0.000 assign ( resid 11 and name HN )(resid 11 and name HB2 ) 3.6 1.8 0.000 assign ( resid 14 and name HN )(resid 14 and name HA ) 3.6 1.8 0.000 assign ( resid 17 and name HN )(resid 16 and name HB* ) 3.6 1.8 0.000 assign ( resid 20 and name HN )(resid 19 and name HA ) 3.6 1.8 0.000 assign ( resid 28 and name HN )(resid 28 and name HB* ) 4.1 2.3 0.000 ! added 0.5 A pseudoatom correction 09/15/2000 assign ( resid 12 and name HN )(resid 12 and name HA ) 3.6 1.8 0.000 assign ( resid 7 and name HA )(resid 7 and name HB ) 3.6 1.8 0.000 assign ( resid 6 and name HB1 )(resid 2 and name HB* ) 3.6 1.8 0.000 assign ( resid 19 and name HN )(resid 18 and name HN ) 3.6 1.8 0.000 assign ( resid 29 and name HB2 )(resid 29 and name HA ) 3.6 1.8 0.000 assign ( resid 11 and name HN )(resid 11 and name HA ) 3.6 1.8 0.000 assign ( resid 18 and name HN )(resid 18 and name HA ) 3.6 1.8 0.000 assign ( resid 14 and name HN )(resid 13 and name HB* ) 3.6 1.8 0.000 assign ( resid 27 and name HN )(resid 27 and name HA ) 3.6 1.8 0.000 assign ( resid 7 and name HN )(resid 7 and name HA ) 3.6 1.8 0.000 assign ( resid 16 and name HN )(resid 16 and name HB* ) 3.6 1.8 0.000 assign ( resid 17 and name HN )(resid 17 and name HA ) 3.6 1.8 0.000 assign ( resid 31 and name HN )(resid 31 and name HA ) 3.6 1.8 0.000 assign ( resid 7 and name HG2* )(resid 7 and name HA ) 4.1 2.3 0.000 assign ( resid 18 and name HN )(resid 17 and name HB* ) 3.6 1.8 0.000 assign ( resid 5 and name HN )(resid 5 and name HG* ) 3.6 1.8 0.000 assign ( resid 31 and name HN )(resid 31 and name HG2* ) 4.1 2.3 0.000 assign ( resid 15 and name HN )(resid 15 and name HB* ) 3.6 1.8 0.000 assign ( resid 4 and name HN )(resid 3 and name HA ) 3.6 1.8 0.000 assign ( resid 24 and name HN )(resid 22 and name HB2 ) 3.6 1.8 0.000 assign ( resid 31 and name HB )(resid 31 and name HG2* ) 4.1 2.3 0.000 assign ( resid 18 and name HN )(resid 17 and name HA ) 3.6 1.8 0.000 assign ( resid 14 and name HN )(resid 13 and name HA ) 3.6 1.8 0.000 assign ( resid 22 and name HN )(resid 22 and name HA ) 3.6 1.8 0.000 assign ( resid 5 and name HN )(resid 5 and name HA ) 3.6 1.8 0.000 assign ( resid 26 and name HN )(resid 26 and name HB2 ) 3.6 1.8 0.000 assign ( resid 4 and name HN )(resid 3 and name HB1 ) 3.6 1.8 0.000 assign ( resid 10 and name HN )(resid 10 and name HA ) 3.6 1.8 0.000 assign ( resid 7 and name HN )(resid 7 and name HG2* ) 4.1 2.3 0.000 assign ( resid 10 and name HN )(resid 9 and name HA1 ) 3.6 1.8 0.000 assign ( resid 4 and name HN )(resid 4 and name HB2 ) 3.6 1.8 0.000 assign ( resid 3 and name HN )(resid 3 and name HB1 ) 3.6 1.8 0.000 assign ( resid 28 and name HN )(resid 28 and name HA ) 3.6 1.8 0.000 assign ( resid 18 and name HN )(resid 17 and name HG2 ) 3.6 1.8 0.000 assign ( resid 18 and name HB1 )(resid 12 and name HB2 ) 3.6 1.8 0.000 !!!assign ( resid 24 and name HN )(resid 25 and name HA ) 4.500 2.7 0.000 assign ( resid 5 and name HN )(resid 5 and name HD* ) 5.000 3.2 0.000 assign ( resid 5 and name HN )(resid 4 and name HB2 ) 4.500 2.7 0.000 assign ( resid 3 and name HN )(resid 2 and name HB* ) 5.000 3.2 0.000 assign ( resid 3 and name HN )(resid 6 and name HB1 ) 4.500 2.7 0.000 assign ( resid 5 and name HN )(resid 4 and name HA ) 4.500 2.7 0.000 assign ( resid 11 and name HN )(resid 11 and name HB1 ) 4.500 2.7 0.000 assign ( resid 15 and name HN )(resid 15 and name HA ) 4.500 2.7 0.000 assign ( resid 12 and name HN )(resid 12 and name HB2 ) 4.500 2.7 0.000 assign ( resid 22 and name HN )(resid 22 and name HB2 ) 4.500 2.7 0.000 assign ( resid 22 and name HN )(resid 21 and name HG2* ) 5.000 3.2 0.000 assign ( resid 18 and name HN )(resid 12 and name HB2 ) 4.500 2.7 0.000 assign ( resid 26 and name HN )(resid 25 and name HB1 ) 4.500 2.7 0.000 assign ( resid 16 and name HN )(resid 16 and name HA ) 4.500 2.7 0.000 assign ( resid 6 and name HN )(resid 5 and name HB1 ) 4.500 2.7 0.000 assign ( resid 6 and name HN )(resid 6 and name HB2 ) 4.500 2.7 0.000 assign ( resid 6 and name HN )(resid 6 and name HA ) 4.500 2.7 0.000 assign ( resid 28 and name HN )(resid 26 and name HB2 ) 4.500 2.7 0.000 assign ( resid 28 and name HN )(resid 26 and name HB1 ) 4.500 2.7 0.000 assign ( resid 21 and name HN )(resid 20 and name HA ) 4.500 2.7 0.000 assign ( resid 31 and name HN )(resid 30 and name HG1 ) 4.500 2.7 0.000 assign ( resid 31 and name HN )(resid 30 and name HB1 ) 4.500 2.7 0.000 assign ( resid 31 and name HN )(resid 29 and name HA ) 4.500 2.7 0.000 assign ( resid 19 and name HN )(resid 18 and name HA ) 4.500 2.7 0.000 assign ( resid 19 and name HN )(resid 18 and name HB1 ) 4.500 2.7 0.000 assign ( resid 24 and name HN )(resid 22 and name HB1 ) 4.500 2.7 0.000 assign ( resid 29 and name HN )(resid 29 and name HB2 ) 4.500 2.7 0.000 assign ( resid 29 and name HN )(resid 28 and name HA ) 4.500 2.7 0.000 assign ( resid 9 and name HN )(resid 8 and name HA ) 4.500 2.7 0.000 assign ( resid 20 and name HN )(resid 17 and name HA ) 4.500 2.7 0.000 assign ( resid 14 and name HN )(resid 14 and name HB2 ) 4.500 2.7 0.000 assign ( resid 14 and name HN )(resid 12 and name HB2 ) 4.500 2.7 0.000 assign ( resid 14 and name HN )(resid 17 and name HG2 ) 4.500 2.7 0.000 assign ( resid 14 and name HN )(resid 13 and name HG2 ) 5.000 3.2 0.000 assign ( resid 20 and name HN )(resid 20 and name HB1 ) 4.500 2.7 0.000 assign ( resid 16 and name HA )(resid 19 and name HB* ) 5.000 3.2 0.000 assign ( resid 25 and name HD2 )(resid 24 and name HA ) 4.500 2.7 0.000 assign ( resid 22 and name HB1 )(resid 24 and name HB1 ) 5.500 3.7 0.000 !!! changed from 4.5 A assign ( resid 16 and name HB* )(resid 16 and name HA ) 5.000 3.2 0.000 assign ( resid 20 and name HB1 )(resid 21 and name HB ) 4.500 2.7 0.000 assign ( resid 30 and name HG2 )(resid 29 and name HB1 ) 4.500 2.7 0.000 assign ( resid 3 and name HN )(resid 6 and name HN ) 4.500 2.7 0.000 assign ( resid 16 and name HN )(resid 17 and name HN ) 4.500 2.7 0.000 assign ( resid 17 and name HN )(resid 14 and name HN ) 4.500 2.7 0.000 assign ( resid 12 and name HN )(resid 10 and name HA ) 4.500 2.7 0.000 assign ( resid 23 and name HN )(resid 23 and name HB2 ) 5.500 3.7 0.000 assign ( resid 3 and name HN )(resid 26 and name HB2 ) 5.500 3.7 0.000 assign ( resid 4 and name HN )(resid 4 and name HA ) 5.500 3.7 0.000 assign ( resid 4 and name HN )(resid 3 and name HB2 ) 5.500 3.7 0.000 assign ( resid 11 and name HN )(resid 10 and name HB* ) 6.000 4.2 0.000 assign ( resid 22 and name HN )(resid 18 and name HA ) 5.500 3.7 0.000 assign ( resid 18 and name HN )(resid 16 and name HA ) 5.500 3.7 0.000 assign ( resid 18 and name HN )(resid 19 and name HB* ) 6.000 4.2 0.000 assign ( resid 26 and name HN )(resid 25 and name HB2 ) 5.500 3.7 0.000 assign ( resid 26 and name HN )(resid 24 and name HB1 ) 5.500 3.7 0.000 assign ( resid 16 and name HN )(resid 14 and name HB1 ) 5.500 3.7 0.000 assign ( resid 16 and name HN )(resid 17 and name HB* ) 6.000 4.2 0.000 assign ( resid 28 and name HN )(resid 27 and name HB1 ) 5.500 3.7 0.000 assign ( resid 21 and name HN )(resid 18 and name HA ) 5.500 3.7 0.000 assign ( resid 21 and name HN )(resid 20 and name HB2 ) 5.500 3.7 0.000 assign ( resid 6 and name HN )(resid 5 and name HA ) 5.500 3.7 0.000 assign ( resid 31 and name HN )(resid 31 and name HB ) 5.500 3.7 0.000 assign ( resid 7 and name HN )(resid 6 and name HA ) 5.500 3.7 0.000 assign ( resid 7 and name HN )(resid 4 and name HA ) 5.500 3.7 0.000 assign ( resid 7 and name HN )(resid 6 and name HB1 ) 5.500 3.7 0.000 assign ( resid 17 and name HN )(resid 16 and name HA ) 5.500 3.7 0.000 assign ( resid 24 and name HN )(resid 26 and name HB1 ) 5.500 3.7 0.000 assign ( resid 24 and name HN )(resid 24 and name HG1 ) 5.500 3.7 0.000 assign ( resid 29 and name HN )(resid 30 and name HD1 ) 5.500 3.7 0.000 assign ( resid 29 and name HN )(resid 26 and name HB1 ) 5.500 3.7 0.000 assign ( resid 9 and name HN )(resid 10 and name HA ) 5.500 3.7 0.000 assign ( resid 14 and name HN )(resid 13 and name HG1 ) 5.500 3.7 0.000 assign ( resid 14 and name HN )(resid 15 and name HA ) 5.500 3.7 0.000 assign ( resid 17 and name HA )(resid 18 and name HB1 ) 5.500 3.7 0.000 assign ( resid 7 and name HA )(resid 2 and name HG* ) 6.000 4.2 0.000 assign ( resid 30 and name HD1 )(resid 12 and name HB1 ) 5.500 3.7 0.000 assign ( resid 18 and name HB1 )(resid 13 and name HG* ) 5.500 3.7 0.000 assign ( resid 22 and name HB1 )(resid 25 and name HA ) 5.500 3.7 0.000 assign ( resid 17 and name HG1 )(resid 17 and name HA ) 5.500 3.7 0.000 assign ( resid 4 and name HB1 )(resid 4 and name HA ) 5.500 3.7 0.000 assign ( resid 12 and name HB2 )(resid 30 and name HD1 ) 5.500 3.7 0.000 assign ( resid 5 and name HB2 )(resid 5 and name HA ) 5.500 3.7 0.000 assign ( resid 30 and name HG1 )(resid 31 and name HA ) 5.500 3.7 0.000 assign ( resid 20 and name HD1 )(resid 17 and name HA ) 5.500 3.7 0.000 assign ( resid 21 and name HG2* )(resid 18 and name HA ) 6.000 4.2 0.000 assign ( resid 14 and name HN )(resid 18 and name HN ) 5.500 3.7 0.000 assign ( resid 17 and name HA )(resid 18 and name HB2 ) 5.500 3.7 0.000 assign ( resid 3 and name HB1 )(resid 4 and name HB1 ) 5.500 3.7 0.000 assign ( resid 5 and name HB2 )(resid 6 and name HA ) 5.500 3.7 0.000 assign ( resid 30 and name HG1 )(resid 14 and name HA ) 5.500 3.7 0.000 assign ( resid 24 and name HB* )(resid 23 and name HA ) 5.500 3.7 0.000 assign ( resid 21 and name HG2* )(resid 22 and name HA ) 6.000 4.2 0.000 assign ( resid 20 and name HN )(resid 22 and name HN ) 5.500 3.7 0.000 assign ( resid 29 and name HN )(resid 27 and name HN ) 5.500 3.7 0.000 assign ( resid 4 and name HN )(resid 5 and name HN ) 5.500 3.7 0.000 assign ( resid 18 and name HB2 )(resid 12 and name HB2 ) 5.500 3.7 0.000 assign (resid 22 and name HA) (resid 22 and name HB2) 2.70 0.90 0.00 !!strong:noed2o_10 assign (resid 24 and name HA) (resid 25 and name HD1) 2.70 0.90 0.00 !!strong:noed2o_10 assign (resid 18 and name HA) (resid 18 and name HB1) 2.70 0.90 0.00 !!strong:noed2o_10 assign (resid 3 and name HA) (resid 3 and name HB1) 2.70 0.90 0.00 !!strong:noed2o_10 assign (resid 3 and name HA) (resid 3 and name HB2) 2.70 0.90 0.00 !!strong:noed2o_10 assign (resid 12 and name HA) (resid 13 and name HD1) 2.70 0.90 0.00 !!strong:noed2o_10 assign (resid 12 and name HA) (resid 12 and name HB2) 2.70 0.90 0.00 !!strong:noed2o_10 assign (resid 11 and name HA) (resid 11 and name HB1) 2.70 0.90 0.00 !!strong:noed2o_10 assign (resid 14 and name HA) (resid 14 and name HB2) 2.70 0.90 0.00 !!strong:noed2o_10 assign (resid 6 and name HA) (resid 6 and name HB2) 2.70 0.90 0.00 !!strong:noed2o_10 assign (resid 24 and name HA) (resid 24 and name HB1) 2.70 0.90 0.00 !!strong:noed2o_10 assign (resid 28 and name HA) (resid 28 and name HB*) 2.70 0.90 0.00 !!strong:noed2o_10 assign (resid 24 and name HA) (resid 24 and name HB2) 3.20 1.40 0.00 !!strong:noed2o_10 assign (resid 11 and name HA) (resid 11 and name HG*) 2.70 0.90 0.00 !!strong:noed2o_10 assign (resid 21 and name HB) (resid 21 and name HG*) 3.20 1.40 0.00 assign (resid 14 and name HA) (resid 30 and name HG1) 3.60 0.90 0.90 !!medium:noed2o_10 assign (resid 11 and name HA) (resid 11 and name HB2) 3.20 1.40 0.00 !!medium:noed2o_10 assign (resid 12 and name HA) (resid 12 and name HB1) 3.20 1.40 0.00 !!medium:noed2o_10 assign (resid 18 and name HA) (resid 21 and name HB) 3.60 1.80 0.00 !!strong:noed2o_20 assign (resid 29 and name HA) (resid 30 and name HD1) 4.50 2.70 0.00 !!strong:noed2o_20 assign (resid 18 and name HA) (resid 20 and name HB1) 4.50 2.70 0.00 !!strong:noed2o_20 assign (resid 18 and name HA) (resid 12 and name HB2) 4.50 2.70 0.00 !!strong:noed2o_20 assign (resid 18 and name HA) (resid 18 and name HB2) 4.50 2.70 0.00 !!strong:noed2o_20 assign (resid 29 and name HA) (resid 30 and name HD2) 4.50 2.70 0.00 !!strong:noed2o_20 assign (resid 29 and name HA) (resid 29 and name HB2) 4.50 2.70 0.00 !!strong:noed2o_2O assign (resid 2 and name HA) (resid 26 and name HB2) 4.50 2.70 0.00 !!strong:noed2o_20 ! changed from 23 HA 22 HB2 assign (resid 23 and name HA) (resid 23 and name HB1) 4.50 2.70 0.00 !!strong:noed2o_20 assign (resid 14 and name HA) (resid 14 and name HB1) 4.50 2.70 0.00 !!strong:noed2o_20 assign (resid 12 and name HA) (resid 15 and name HA) 5.50 3.70 0.00 !!strong:noed2o_20 ! increased limits assign (resid 15 and name HA) (resid 14 and name HA) 5.50 3.70 0.00 !!strong:noed2o_20 ! increased limits assign (resid 22 and name HA) (resid 26 and name HB1) 4.50 2.70 0.00 !!strong:noed2o_20 assign (resid 27 and name HA) (resid 27 and name HB1) 4.50 2.70 0.00 !!strong:noed2o_20 assign (resid 14 and name HA) (resid 30 and name HG2) 5.50 3.70 0.00 !!strong:noed2o_20 increased due to mobility assign (resid 30 and name HA) (resid 30 and name HB1) 4.50 2.70 0.00 !!strong:noed2o_20 ambiguity ? assign (resid 30 and name HA) (resid 30 and name HD1) 4.50 2.70 0.00 !!strong:noed2o_20 assign (resid 6 and name HA) (resid 8 and name HB2) 4.50 2.70 0.00 !!strong:noed2o_20 assign (resid 24 and name HA) (resid 25 and name HA) 4.50 2.70 0.00 !!strong:noed2o_20 assign (resid 24 and name HA) (resid 25 and name HG*) 4.50 2.70 0.00 !!strong:noed2o_20 ambiguity ? assign (resid 23 and name HA) (resid 23 and name HB2) 4.50 2.70 0.00 !!strong:noed2o_20 assign (resid 14 and name HA) (resid 30 and name HB1) 4.50 2.70 0.00 !!strong:noed2o_20 ambiguity ? assign (resid 29 and name HA) (resid 29 and name HB1) 4.50 2.70 0.00 !!strong:noed2o_20 assign (resid 22 and name HA) (resid 21 and name HG2*) 5.50 3.20 0.00 !!strong:noed2o_20 assign (resid 24 and name HA) (resid 24 and name HG2) 4.50 2.70 0.00 !!strong:noed2o_20 assign (resid 18 and name HA) (resid 21 and name HG2*) 5.0 3.20 0.00 !weak assign (resid 22 and name HA) (resid 23 and name HA) 4.50 2.70 0.00 assign (resid 11 and name HA) (resid 11 and name HD*) 4.50 2.70 0.00 assign (resid 23 and name HA) (resid 24 and name HB1) 4.50 2.70 0.00 assign (resid 16 and name HA) (resid 19 and name HB*) 5.00 3.20 0.00 assign (resid 6 and name HA) (resid 5 and name HB1) 4.50 2.70 0.00 assign (resid 12 and name HB2) (resid 29 and name HB1) 3.20 1.40 0.00
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