NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
15392 1y4e 6446 cing 1-original 1 XPLOR/CNS distance NOE simple




! Intra            
assign (residue 1 and name HB#) (residue 1 and name HA) 2.34 0.54 0.46 
assign (residue 1 and name HA) (residue 1 and name HB#) 2.33 0.53 0.47 
assign (residue 2 and name HB#) (residue 2 and name HA) 2.8 1 0 ! made strong
assign (residue 2 and name HG) (residue 2 and name HA) 4.2 2.4 0.8 
assign (residue 2 and name HN) (residue 2 and name HG) 3.72 1.92 1.28 
assign (residue 2 and name HN) (residue 2 and name HA) 3.71 1.91 1.29 
assign (residue 2 and name HA) (residue 2 and name HN) 2.8 1 0 ! made strong
assign (residue 2 and name HG) (residue 2 and name HN) 3.68 1.88 1.32 
assign (residue 2 and name HD##) (residue 2 and name HA) 3.40 1.60 1.60 ! made weak
assign (residue 2 and name HD##) (residue 2 and name HN) 3.40 1.60 1.60 ! added after round 5
assign (residue 2 and name HD##) (residue 2 and name HN) 3.40 1.60 1.60 ! added after round 5
assign (residue 2 and name HD##) (residue 2 and name HA) 3.40 1.60 1.60 ! made weak
assign (residue 2 and name HB#) (residue 2 and name HN) 2.82 1.02 0.78 
assign (residue 2 and name HN) (residue 2 and name HB#) 2.70 0.90 0.90 ! s -> m after round 6
assign (residue 2 and name HB#) (residue 2 and name HG) 2.55 0.75 0.25 
assign (residue 2 and name HG) (residue 2 and name HB#) 2.28 0.48 0.52 
assign (residue 3 and name HG#) (residue 3 and name HB#) 2.8 1 0 ! made strong
assign (residue 3 and name HA) (residue 3 and name HG#) 4.83 3.03 0.17 
assign (residue 3 and name HG#) (residue 3 and name HA) 4.26 2.46 0.74 
assign (residue 3 and name HA) (residue 3 and name HB#) 4 2.2 1 
assign (residue 3 and name HB#) (residue 3 and name HN) 3.99 2.19 1.01 
assign (residue 3 and name HA) (residue 3 and name HN) 3.86 2.06 1.14 
assign (residue 3 and name HB#) (residue 3 and name HG#) 3.85 2.05 1.15 
assign (residue 3 and name HB#) (residue 3 and name HN) 3.62 1.82 1.38 
assign (residue 3 and name HN) (residue 3 and name HA) 3.51 1.71 0.09 
assign (residue 3 and name HN) (residue 3 and name HB#) 3.40 1.60 1.60 !added after round 5
assign (residue 3 and name HN) (residue 3 and name HB#) 3.40 1.60 1.60 !added after round 5
assign (residue 3 and name HG#) (residue 3 and name HB#) 3.47 1.67 0.13 
assign (residue 3 and name HA) (residue 3 and name HB#) 3.42 1.62 0.18 
assign (residue 3 and name HG#) (residue 3 and name HB#) 3.32 1.52 0.28 
assign (residue 3 and name HB#) (residue 3 and name HA) 3.22 1.42 0.38 
assign (residue 4 and name HA) (residue 4 and name HB#) 2.8 1 0 ! made strong
assign (residue 4 and name HB#) (residue 4 and name HA) 4.16 2.36 0.84 
assign (residue 4 and name HB#) (residue 4 and name HN) 3.75 1.95 1.25
assign (residue 4 and name HB#) (residue 4 and name HA) 3.68 1.88 1.32
assign (residue 4 and name HB#) (residue 4 and name HN) 3.64 1.84 1.36
assign (residue 4 and name HN) (residue 4 and name HB#) 3.55 1.75 0.05
assign (residue 4 and name HN) (residue 4 and name HA) 3.45 1.65 0.15
assign (residue 4 and name HN) (residue 4 and name HB#) 3.28 1.48 0.32
assign (residue 4 and name HB1) (residue 4 and name HB2) 2.3 0.5 0.5
assign (residue 4 and name HB2) (residue 4 and name HB1) 2.25 0.45 0.55
assign (residue 5 and name HA) (residue 5 and name HB#) 4.53 2.73 0.47
assign (residue 5 and name HA) (residue 5 and name HB#) 4.23 2.43 0.77
assign (residue 5 and name HA) (residue 5 and name HN) 4.02 2.22 0.98
assign (residue 5 and name HB#) (residue 5 and name HN) 3.94 2.14 1.06
assign (residue 5 and name HN) (residue 5 and name HB#) 3.81 2.01 1.19
assign (residue 5 and name HB#) (residue 5 and name HA) 3.78 1.98 1.22
assign (residue 5 and name HB#) (residue 5 and name HA) 3.64 1.84 1.36
assign (residue 5 and name HB#) (residue 5 and name HN) 3.51 1.71 0.09
assign (residue 5 and name HN) (residue 5 and name HA) 3.33 1.53 0.27
assign (residue 5 and name HN) (residue 5 and name HB#) 2.89 1.09 0.71
assign (residue 6 and name HB) (residue 6 and name HG##) 2.70 0.90 0.90 ! s -> m after round 6
assign (residue 6 and name HG##) (residue 6 and name HN) 3.67 1.87 1.33
assign (residue 6 and name HA) (residue 6 and name HG##) 3.63 1.83 1.37
assign (residue 6 and name HA) (residue 6 and name HB) 3.62 1.82 1.38
assign (residue 6 and name HA) (residue 6 and name HG##) 3.48 1.68 0.12
assign (residue 6 and name HG##) (residue 6 and name HA) 3.38 1.58 0.22
assign (residue 6 and name HG##) (residue 6 and name HN) 3.40 1.60 1.60 ! made weak after round 4
assign (residue 6 and name HG##) (residue 6 and name HA) 3.36 1.56 0.24
assign (residue 6 and name HN) (residue 6 and name HA) 3.32 1.52 0.28
assign (residue 6 and name HB) (residue 6 and name HA) 3.31 1.51 0.29
assign (residue 6 and name HA) (residue 6 and name HN) 3.3 1.5 0.3
assign (residue 6 and name HB) (residue 6 and name HN) 3.23 1.43 0.37
assign (residue 6 and name HN) (residue 6 and name HB) 3.12 1.32 0.48
assign (residue 6 and name HG##) (residue 6 and name HB) 3.11 1.31 0.49
assign (residue 6 and name HN) (residue 6 and name HG##) 3.40 1.60 1.60 ! made weak after round 4
assign (residue 6 and name HG##) (residue 6 and name HB) 2.6 0.8 0.2 
assign (residue 6 and name HN) (residue 6 and name HG##) 3.40 1.60 1.60 ! made weak after round 4
assign (residue 6 and name HB) (residue 6 and name HG##) 2.3 0.5 0.5 
assign (residue 7 and name HA) (residue 7 and name HB#) 4.33 2.53 0.67 
assign (residue 7 and name HA) (residue 7 and name HB#) 4.3 2.5 0.7 
assign (residue 7 and name HN) (residue 7 and name HB#) 3.65 1.85 1.35 
assign (residue 7 and name HB#) (residue 7 and name HN) 3.51 1.71 0.09 
assign (residue 7 and name HA) (residue 7 and name HN) 3.47 1.67 0.13 
assign (residue 7 and name HN) (residue 7 and name HA) 3.25 1.45 0.35 
assign (residue 7 and name HB#) (residue 7 and name HN) 3.2 1.4 0.4 
assign (residue 7 and name HB#) (residue 7 and name HA) 2.98 1.18 0.62 
assign (residue 7 and name HN) (residue 7 and name HB#) 2.95 1.15 0.65 
assign (residue 8 and name HA) (residue 8 and name HB#) 2.8 1 0 ! made strong
assign (residue 8 and name HA) (residue 8 and name HB#) 4.2 2.4 0.8 
assign (residue 8 and name HN) (residue 8 and name HB#) 3.99 2.19 1.01 
assign (residue 8 and name HB#) (residue 8 and name HA) 3.56 1.76 0.04
assign (residue 8 and name HA) (residue 8 and name HN) 3.38 1.58 0.22
assign (residue 8 and name HB#) (residue 8 and name HN) 3.29 1.49 0.31
assign (residue 8 and name HB#) (residue 8 and name HA) 3.09 1.29 0.51
assign (residue 8 and name HB#) (residue 8 and name HN) 3.04 1.24 0.56
assign (residue 8 and name HN) (residue 8 and name HB#) 2.99 1.19 0.61
assign (residue 8 and name HB1) (residue 8 and name HB2) 1.85 0.05 0.95
assign (residue 9 and name HG) (residue 9 and name HN) 3.76 1.96 1.24
assign (residue 9 and name HA) (residue 9 and name HN) 3.39 1.59 0.21
assign (residue 9 and name HD##) (residue 9 and name HG) 3.34 1.54 0.26
assign (residue 9 and name HA) (residue 9 and name HD##) 3.29 1.49 0.31
assign (residue 9 and name HA) (residue 9 and name HB#) 3.26 1.46 0.34
assign (residue 9 and name HD##) (residue 9 and name HG) 3.23 1.43 0.37
assign (residue 9 and name HB#) (residue 9 and name HA) 3.16 1.36 0.44
assign (residue 9 and name HN) (residue 9 and name HA) 3.13 1.33 0.47
assign (residue 9 and name HD##) (residue 9 and name HA) 3.11 1.31 0.49
assign (residue 9 and name HA) (residue 9 and name HG) 3.1 1.3 0.5 
assign (residue 9 and name HG) (residue 9 and name HA) 2.92 1.12 0.68 
assign (residue 9 and name HB#) (residue 9 and name HN) 2.85 1.05 0.75 
assign (residue 9 and name HN) (residue 9 and name HB#) 2.82 1.02 0.78 
assign (residue 9 and name HN) (residue 9 and name HG) 3.40 1.60 1.60 ! added after round 5 
assign (residue 9 and name HN) (residue 9 and name HD##) 3.40 1.60 1.60 ! added after round 5 
assign (residue 9 and name HN) (residue 9 and name HD##) 3.40 1.60 1.60 ! added after round 5 
assign (residue 9 and name HB#) (residue 9 and name HG) 2.31 0.51 0.49 
assign (residue 9 and name HG) (residue 9 and name HB#) 2.27 0.47 0.53 
assign (residue 10 and name HN) (residue 10 and name HA) 2.70 0.90 0.90 ! made medium
assign (residue 10 and name HN) (residue 10 and name HB#) 4.18 2.38 0.82 
assign (residue 10 and name HB#) (residue 10 and name HN) 3.43 1.63 0.17 
assign (residue 10 and name HB#) (residue 10 and name HN) 2.96 1.16 0.64 
assign (residue 10 and name HN) (residue 10 and name HB#) 2.9 1.1 0.7 
assign (residue 11 and name HA) (residue 11 and name HN) 3.76 1.96 1.24 
assign (residue 11 and name HN) (residue 11 and name HA) 3.23 1.43 0.37 
assign (residue 11 and name HA) (residue 11 and name HB#) 3 1.2 0.6 
assign (residue 11 and name HN) (residue 11 and name HB#) 2.81 1.01 0.79 
assign (residue 11 and name HB#) (residue 11 and name HA) 2.77 0.97 0.03 
assign (residue 11 and name HB#) (residue 11 and name HN) 2.70 0.90 0.90 ! made medium
assign (residue 12 and name HN) (residue 12 and name HA) 4.12 2.32 0.88 
assign (residue 12 and name HB#) (residue 12 and name HN) 3.41 1.61 0.19 
assign (residue 12 and name HN) (residue 12 and name HB#) 3.18 1.38 0.42 
assign (residue 13 and name HA) (residue 13 and name HB#) 2.8 1 0 ! made strong
assign (residue 13 and name HB1) (residue 13 and name HB2) 2.8 1 0 ! made strong
assign (residue 13 and name HB#) (residue 13 and name HA) 2.8 1 0 ! made strong
assign (residue 13 and name HB2) (residue 13 and name HB1) 2.8 1 0 ! made strong
assign (residue 14 and name HA) (residue 14 and name HG#) 4.44 2.64 0.56 
assign (residue 14 and name HA) (residue 14 and name HB#) 3.92 2.12 1.08 
assign (residue 14 and name HB#) (residue 14 and name HA) 3.75 1.95 1.25 
assign (residue 14 and name HG#) (residue 14 and name HA) 3.71 1.91 1.29 
assign (residue 14 and name HG#) (residue 14 and name HD#) 3.39 1.59 0.21 
assign (residue 14 and name HB#) (residue 14 and name HD#) 3.19 1.39 0.41 
assign (residue 14 and name HG#) (residue 14 and name HB#) 3.14 1.34 0.46 
assign (residue 14 and name HA) (residue 14 and name HB#) 3.14 1.34 0.46 
assign (residue 14 and name HB#) (residue 14 and name HA) 2.88 1.08 0.72
assign (residue 14 and name HD#) (residue 14 and name HB#) 2.70 0.90 0.90 ! made medium after round 10
assign (residue 14 and name HD#) (residue 14 and name HB#) 2.70 0.90 0.90 ! made medium after round 11
assign (residue 14 and name HB#) (residue 14 and name HG#) 2.49 0.69 0.31
assign (residue 14 and name HB1) (residue 14 and name HB2) 1.88 0.08 0.92
assign (residue 14 and name HB2) (residue 14 and name HB1) 1.88 0.08 0.92 ! added after round 5
assign (residue 15 and name HG##) (residue 15 and name HN) 4.05 2.25 0.95
assign (residue 15 and name HG1#) (residue 15 and name HN) 3.62 1.82 1.38
assign (residue 15 and name HA) (residue 15 and name HN) 3.51 1.71 0.09
assign (residue 15 and name HA) (residue 15 and name HG##) 3.48 1.68 0.12
assign (residue 15 and name HB) (residue 15 and name HA) 3.39 1.59 0.21
assign (residue 15 and name HN) (residue 15 and name HA) 3.36 1.56 0.24
assign (residue 15 and name HN) (residue 15 and name HG1#) 3.40 1.60 1.60 ! added after round 5
assign (residue 15 and name HN) (residue 15 and name HG##) 3.40 1.60 1.60 ! added after round 5
assign (residue 15 and name HG##) (residue 15 and name HA) 3.32 1.52 0.28
assign (residue 15 and name HA) (residue 15 and name HG1#) 3.23 1.43 0.37
assign (residue 15 and name HB) (residue 15 and name HG1#) 5.00 2.6 0 ! added after round 5 - updated to 2.4 min aft round 6
assign (residue 15 and name HB) (residue 15 and name HG1#) 5.00 2.6 0 ! added after round 5- updated to 2.4 min aft round 6
assign (residue 15 and name HB) (residue 15 and name HN) 3.03 1.23 0.57
assign (residue 15 and name HA) (residue 15 and name HB) 3 1.2 0.6
assign (residue 15 and name HN) (residue 15 and name HB) 2.91 1.11 0.69
assign (residue 15 and name HB) (residue 15 and name HG##) 2.86 1.06 0.74 
assign (residue 16 and name HG##) (residue 16 and name HB) 2.8 1 0 ! made strong
assign (residue 16 and name HG1#) (residue 16 and name HN) 3.73 1.93 1.27 
assign (residue 16 and name HN) (residue 16 and name HG##) 3.62 1.82 1.38 
assign (residue 16 and name HN) (residue 16 and name HG1#) 3.40 1.60 1.60 ! added after round 5
assign (residue 16 and name HA) (residue 16 and name HN) 3.51 1.71 0.09 
assign (residue 16 and name HA) (residue 16 and name HG1#) 3.44 1.64 0.16 
assign (residue 16 and name HN) (residue 16 and name HA) 3.26 1.46 0.34 
assign (residue 16 and name HG1#) (residue 16 and name HA) 3.21 1.41 0.39 
assign (residue 16 and name HB) (residue 16 and name HA) 3.14 1.34 0.46 
assign (residue 16 and name HB) (residue 16 and name HN) 3.09 1.29 0.51 
assign (residue 16 and name HG##) (residue 16 and name HA) 3.04 1.24 0.56 
assign (residue 16 and name HN) (residue 16 and name HB) 2.98 1.18 0.62 
assign (residue 16 and name HB) (residue 16 and name HG##) 2.97 1.17 0.63 
assign (residue 16 and name HA) (residue 16 and name HB) 2.91 1.11 0.69 
assign (residue 17 and name HN) (residue 17 and name HG) 4.12 2.32 0.88 
assign (residue 17 and name HD##) (residue 17 and name HN) 3.76 1.96 1.24 
assign (residue 17 and name HG) (residue 17 and name HN) 3.75 1.95 1.25
assign (residue 17 and name HA) (residue 17 and name HD##) 3.40 1.60 1.60 ! made weak after round 11
assign (residue 17 and name HA) (residue 17 and name HN) 3.43 1.63 0.17
assign (residue 17 and name HB#) (residue 17 and name HA) 3.35 1.55 0.25
assign (residue 17 and name HA) (residue 17 and name HB#) 3.32 1.52 0.28
assign (residue 17 and name HN) (residue 17 and name HA) 3.18 1.38 0.42
assign (residue 17 and name HD##) (residue 17 and name HA) 3.40 1.60 1.60 ! made weak after round 11
assign (residue 17 and name HA) (residue 17 and name HG) 3.40 1.60 1.60 ! made weak after round 10
assign (residue 17 and name HB#) (residue 17 and name HN) 2.94 1.14 0.66
assign (residue 17 and name HN) (residue 17 and name HB#) 2.92 1.12 0.68
assign (residue 17 and name HG) (residue 17 and name HA) 3.40 1.60 1.60 ! made weak after round 10
assign (residue 18 and name HA) (residue 18 and name HB#) 4.45 2.65 0.55
assign (residue 18 and name HN) (residue 18 and name HB#) 3.92 2.12 1.08
assign (residue 18 and name HB#) (residue 18 and name HN) 3.88 2.08 1.12
assign (residue 18 and name HA) (residue 18 and name HB#) 3.8 2 1.2
assign (residue 18 and name HA) (residue 18 and name HN) 3.76 1.96 1.24
assign (residue 18 and name HB#) (residue 18 and name HA) 3.67 1.87 1.33
assign (residue 18 and name HB#) (residue 18 and name HA) 3.49 1.69 0.11
assign (residue 18 and name HN) (residue 18 and name HA) 3.14 1.34 0.46
assign (residue 18 and name HB#) (residue 18 and name HN) 3.12 1.32 0.48
assign (residue 18 and name HN) (residue 18 and name HB#) 2.93 1.13 0.67
assign (residue 18 and name HB1) (residue 18 and name HB2) 2.29 0.49 0.51
assign (residue 18 and name HB2) (residue 18 and name HB1) 2.2 0.4 0.6
assign (residue 19 and name HB#) (residue 19 and name HA) 4.03 2.23 0.97
assign (residue 19 and name HN) (residue 19 and name HA) 3.98 2.18 1.02
assign (residue 19 and name HA) (residue 19 and name HB#) 3.36 1.56 0.24
assign (residue 19 and name HB#) (residue 19 and name HN) 3.26 1.46 0.34
assign (residue 19 and name HA) (residue 19 and name HN) 2.99 1.19 0.61
assign (residue 20 and name HA#) (residue 20 and name HN) 3.21 1.41 0.39
assign (residue 20 and name HA#) (residue 20 and name HN) 2.87 1.07 0.73
assign (residue 20 and name HN) (residue 20 and name HA#) 2.73 0.93 0.07
assign (residue 20 and name HN) (residue 20 and name HA#) 2.68 0.88 0.12
assign (residue 20 and name HA1) (residue 20 and name HA2) 2.6 0.8 0.2
assign (residue 20 and name HA2) (residue 20 and name HA1) 2.56 0.76 0.24
assign (residue 20 and name HA1) (residue 20 and name HA2) 2.55 0.75 0.25
assign (residue 20 and name HA2) (residue 20 and name HA1) 2.27 0.47 0.53
assign (residue 21 and name HA) (residue 21 and name HN) 4.11 2.31 0.89
assign (residue 21 and name HA) (residue 21 and name HB#) 3.3 1.5 0.3
assign (residue 21 and name HB#) (residue 21 and name HN) 2.96 1.16 0.64
assign (residue 21 and name HB#) (residue 21 and name HA) 2.94 1.14 0.66
assign (residue 21 and name HN) (residue 21 and name HB#) 2.92 1.12 0.68
assign (residue 21 and name HN) (residue 21 and name HA) 1.94 0.14 0.86
assign (residue 22 and name HB#) (residue 22 and name HN) 3.78 1.98 1.22
assign (residue 22 and name HN) (residue 22 and name HB#) 3.32 1.52 0.28
assign (residue 22 and name HB#) (residue 22 and name HN) 3.3 1.5 0.3
assign (residue 22 and name HB1) (residue 22 and name HB2) 2.34 0.54 0.46
assign (residue 22 and name HB2) (residue 22 and name HB1) 2.32 0.52 0.48
assign (residue 23 and name HA) (residue 23 and name HG) 4.71 2.91 0.29
assign (residue 23 and name HG) (residue 23 and name HN) 4.51 2.71 0.49 
assign (residue 23 and name HN) (residue 23 and name HD##) 4.2 2.4 0.8 
assign (residue 23 and name HA) (residue 23 and name HD##) 4.13 2.33 0.87 
assign (residue 23 and name HA) (residue 23 and name HN) 3.88 2.08 1.12 
assign (residue 23 and name HD##) (residue 23 and name HN) 3.79 1.99 1.21 
assign (residue 23 and name HA) (residue 23 and name HD##) 3.67 1.87 1.33 
assign (residue 23 and name HA) (residue 23 and name HB#) 3.63 1.83 1.37 
assign (residue 23 and name HG) (residue 23 and name HA) 3.5 1.7 0.1 
assign (residue 23 and name HB#) (residue 23 and name HA) 3.48 1.68 0.12 
assign (residue 23 and name HN) (residue 23 and name HA) 3.48 1.68 0.12 
assign (residue 23 and name HN) (residue 23 and name HB#) 3.05 1.25 0.55 
assign (residue 23 and name HN) (residue 23 and name HG) 3.40 1.60 1.60 ! added after round 5 
assign (residue 23 and name HD##) (residue 23 and name HA) 3.01 1.21 0.59 
assign (residue 25 and name HA) (residue 25 and name HN) 3.48 1.68 0.12 
assign (residue 25 and name HN) (residue 25 and name HA) 3.32 1.52 0.28 
assign (residue 26 and name HB1) (residue 26 and name HB2) 2.8 1 0 ! made strong
assign (residue 26 and name HA) (residue 26 and name HN) 4.49 2.69 0.51 
assign (residue 26 and name HA) (residue 26 and name HB#) 4.11 2.31 0.89
assign (residue 26 and name HN) (residue 26 and name HA) 3.81 2.01 1.19
assign (residue 26 and name HN) (residue 26 and name HB#) 3.40 1.60 1.60 ! added after round 5
assign (residue 26 and name HN) (residue 26 and name HG#) 3.40 1.60 1.60 ! added after round 5
assign (residue 26 and name HG#) (residue 26 and name HN) 3.73 1.93 1.27
assign (residue 26 and name HB#) (residue 26 and name HA) 3.63 1.83 1.37
assign (residue 26 and name HB#) (residue 26 and name HN) 3.62 1.82 1.38
assign (residue 26 and name HB#) (residue 26 and name HN) 3.40 1.60 1.60 ! added double restraint after round 5
assign (residue 26 and name HB#) (residue 26 and name HG#) 3.4 1.6 0.2
assign (residue 26 and name HB1) (residue 26 and name HB2) 2.72 0.92 0.08
assign (residue 27 and name HB1) (residue 27 and name HB2) 2.77 0.97 0.03
assign (residue 27 and name HB2) (residue 27 and name HB1) 2.64 0.84 0.16

! +/- 1           
assign (residue 1 and name HA) (residue 2 and name HA) 3.92 2.12 1.08
assign (residue 1 and name HB#) (residue 2 and name HN) 3.57 1.77 0.03
assign (residue 1 and name HA) (residue 2 and name HG) 3.40 1.60 1.60 ! m -> after round 6
assign (residue 1 and name HA) (residue 2 and name HN) 3.37 1.57 0.23
assign (residue 1 and name HA) (residue 2 and name HB#) 3.40 1.60 1.60 ! m -> w after round 6
assign (residue 2 and name HN) (residue 1 and name HB#) 3.8 2 1.2
assign (residue 2 and name HN) (residue 1 and name HA) 3.17 1.37 0.43
assign (residue 2 and name HB#) (residue 1 and name HA) 3.40 1.60 1.60 ! m -> w after round 6
assign (residue 3 and name HA) (residue 4 and name HN) 3.38 1.58 0.22
assign (residue 3 and name HN) (residue 4 and name HN) 3.31 1.51 0.29
assign (residue 3 and name HN) (residue 4 and name HA) 3.40 1.60 1.60 ! m -> w after round 6
assign (residue 3 and name HB#) (residue 4 and name HN) 3.40 1.60 1.60 ! added after round 5
assign (residue 4 and name HN) (residue 3 and name HN) 3.93 2.13 1.07
assign (residue 4 and name HA) (residue 3 and name HN) 5.00 2.30 0.00 ! m -> w after round 6
assign (residue 4 and name HN) (residue 3 and name HA) 3.27 1.47 0.33
assign (residue 4 and name HB#) (residue 5 and name HN) 4.51 2.71 0.49
assign (residue 4 and name HB#) (residue 5 and name HN) 4.21 2.41 0.79
assign (residue 4 and name HN) (residue 5 and name HN) 3.27 1.47 0.33
assign (residue 5 and name HN) (residue 4 and name HB#) 3.93 2.13 1.07
assign (residue 5 and name HN) (residue 4 and name HA) 3.49 1.69 0.11
assign (residue 5 and name HN) (residue 4 and name HN) 3.41 1.61 0.19
assign (residue 5 and name HA) (residue 6 and name HN) 4.13 2.33 0.87
assign (residue 5 and name HN) (residue 6 and name HN) 3.41 1.61 0.19
assign (residue 5 and name HB#) (residue 6 and name HN) 3.40 1.60 1.60 ! added after round 3
assign (residue 5 and name HB#) (residue 6 and name HN) 3.40 1.60 1.60 ! added after round 3
assign (residue 6 and name HN) (residue 5 and name HB#) 3.40 1.60 1.60 ! added after round 3
assign (residue 6 and name HN) (residue 5 and name HB#) 3.40 1.60 1.60 ! added after round 3
assign (residue 6 and name HN) (residue 5 and name HA) 3.69 1.89 1.31 
assign (residue 6 and name HN) (residue 5 and name HN) 3.39 1.59 0.21 
assign (residue 6 and name HA) (residue 7 and name HN) 3.87 2.07 1.13 
assign (residue 6 and name HB) (residue 7 and name HN) 3.82 2.02 1.18 
assign (residue 6 and name HN) (residue 7 and name HN) 3.33 1.53 0.27 
assign (residue 6 and name HB#) (residue 7 and name HN) 3.40 1.60 1.60 ! added after round 5
assign (residue 6 and name HG##) (residue 7 and name HN) 3.40 1.60 1.60 ! added after round 5
assign (residue 6 and name HG##) (residue 7 and name HN) 3.40 1.60 1.60 ! added after round 5
assign (residue 7 and name HN) (residue 6 and name HA) 4.03 2.23 0.97 
assign (residue 7 and name HN) (residue 6 and name HN) 3.3 1.5 0.3 
assign (residue 7 and name HN) (residue 6 and name HG##) 3.40 1.60 1.60 ! added after round 5
assign (residue 7 and name HB#) (residue 8 and name HN) 4.02 2.22 0.98 
assign (residue 7 and name HN) (residue 8 and name HN) 3.1 1.3 0.5 
assign (residue 8 and name HN) (residue 7 and name HA) 3.23 1.43 0.37 
assign (residue 8 and name HN) (residue 7 and name HN) 3.22 1.42 0.38 
assign (residue 8 and name HA) (residue 9 and name HN) 3.40 1.60 1.60 ! made weak after round 3
assign (residue 8 and name HA) (residue 9 and name HB#) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 9 and name HN) (residue 8 and name HA) 3.40 1.60 1.60 ! made weak after round 3
assign (residue 9 and name HN) (residue 10 and name HA) 3.40 1.60 1.60 ! made medium -> then weak after round 1 w/cal
assign (residue 9 and name HA) (residue 10 and name HN) 3.88 2.08 1.12 
assign (residue 9 and name HN) (residue 10 and name HN) 3.15 1.35 0.45 
assign (residue 9 and name HB#) (residue 10 and name HN) 2.70 0.90 0.90 ! made medium
assign (residue 9 and name HG) (residue 10 and name HN) 3.40 1.60 1.60 ! added after round 5
assign (residue 10 and name HN) (residue 9 and name HA) 4.16 2.36 0.84 
assign (residue 10 and name HN) (residue 9 and name HB#) 3.3 1.5 0.3 
assign (residue 10 and name HN) (residue 9 and name HB#) 3.21 1.41 0.39 
assign (residue 10 and name HN) (residue 9 and name HN) 3.17 1.37 0.43
! assign (residue 10 and name HB#) (residue 11 and name HA) 3.40 1.60 1.60 ! made weak - ambiguous - removed after round 3
assign (residue 10 and name HB#) (residue 11 and name HN) 4.11 2.31 0.89 
assign (residue 11 and name HA) (residue 12 and name HN) 4.29 2.49 0.71 
assign (residue 11 and name HB#) (residue 12 and name HN) 3.64 1.84 1.36 
assign (residue 11 and name HB#) (residue 12 and name HB#) 2.70 0.90 0.90 ! made medium
assign (residue 12 and name HN) (residue 11 and name HA) 4.24 2.44 0.76 
assign (residue 12 and name HN) (residue 11 and name HB#) 3.40 1.60 1.60 ! added after round 5 
assign (residue 12 and name HB#) (residue 11 and name HB#) 2.70 0.90 0.90 ! made medium
assign (residue 13 and name HA) (residue 14 and name HB#) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 13 and name HA) (residue 14 and name HB#) 3.90 2.10 2.10 ! added 2nd restraint after round 5
assign (residue 14 and name HG#) (residue 13 and name HB#) 3.90 2.10 2.10 ! added after round 5
assign (residue 14 and name HB#) (residue 13 and name HA) 3.90 2.10 2.10 ! made v. weak after round 4  
assign (residue 14 and name HB#) (residue 13 and name HA) 3.90 2.10 2.10 ! 2nd restraint added after round 5 
assign (residue 14 and name HA) (residue 15 and name HN) 4.39 2.59 0.61 
assign (residue 14 and name HB#) (residue 15 and name HN) 3.40 1.60 1.60 ! made weak after round 1 w/cal 
assign (residue 14 and name HD#) (residue 15 and name HN) 3.61 1.81 1.39
assign (residue 14 and name HB#) (residue 15 and name HN) 3.40 1.60 1.60 ! made weak after round 1 w/cal
assign (residue 15 and name HN) (residue 14 and name HB#) 3.8 2 1.2
assign (residue 15 and name HN) (residue 14 and name HB#) 3.40 1.60 1.60 ! added 2nd restraint after round 5
assign (residue 15 and name HN) (residue 14 and name HA) 3.64 1.84 1.36
assign (residue 15 and name HA) (residue 16 and name HN) 3.9 2.1 1.1
assign (residue 15 and name HG##) (residue 16 and name HN) 3.6 1.8 1.4
assign (residue 15 and name HB) (residue 16 and name HN) 3.44 1.64 0.16
assign (residue 15 and name HN) (residue 16 and name HN) 3.19 1.39 0.41
assign (residue 15 and name HG##) (residue 16 and name HB) 3.40 1.60 1.60 ! made weak after round 10
assign (residue 15 and name HN) (residue 16 and name HD##) 3.40 1.60 1.60 ! added after round 5
assign (residue 16 and name HD##) (residue 15 and name HN) 3.40 1.60 1.60 ! added after round 5
assign (residue 16 and name HN) (residue 15 and name HA) 3.79 1.99 1.21
assign (residue 16 and name HN) (residue 15 and name HB) 3.44 1.64 0.16
assign (residue 16 and name HN) (residue 15 and name HN) 3.29 1.49 0.31
assign (residue 16 and name HA) (residue 15 and name HG##) 3.40 1.60 1.60 ! made weak after round 11
assign (residue 16 and name HG1#) (residue 15 and name HA) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 16 and name HA) (residue 17 and name HN) 4.5 2.7 0.5
assign (residue 16 and name HB) (residue 17 and name HN) 3.51 1.71 0.09
assign (residue 16 and name HN) (residue 17 and name HN) 3.39 1.59 0.21
assign (residue 17 and name HN) (residue 16 and name HA) 4.04 2.24 0.96
assign (residue 17 and name HA) (residue 16 and name HB) 3.71 1.91 1.29
assign (residue 17 and name HN) (residue 16 and name HB) 3.3 1.5 0.3
assign (residue 17 and name HN) (residue 16 and name HN) 3.3 1.5 0.3
assign (residue 17 and name HA) (residue 18 and name HN) 4.3 2.5 0.7
assign (residue 17 and name HG) (residue 18 and name HN) 3.89 2.09 1.11
assign (residue 17 and name HB#) (residue 18 and name HN) 3.54 1.74 0.06
assign (residue 18 and name HN) (residue 17 and name HA) 3.73 1.93 1.27
assign (residue 18 and name HN) (residue 17 and name HG) 3.68 1.88 1.32
assign (residue 18 and name HN) (residue 17 and name HB#) 3.37 1.57 0.23
assign (residue 18 and name HN) (residue 17 and name HN) 3.31 1.51 0.29
assign (residue 19 and name HA) (residue 18 and name HB#) 4.98 3.18 0.02
assign (residue 19 and name HA) (residue 18 and name HN) 3.40 1.60 1.60 ! made weak after round 3
assign (residue 20 and name HA#) (residue 21 and name HN) 4.08 2.28 0.92
assign (residue 20 and name HN) (residue 21 and name HN) 3.34 1.54 0.26 
assign (residue 21 and name HN) (residue 20 and name HA#) 4.76 2.96 0.24 
assign (residue 21 and name HN) (residue 20 and name HA#) 3.44 1.64 0.16 
assign (residue 21 and name HN) (residue 20 and name HN) 3.33 1.53 0.27 
assign (residue 21 and name HA) (residue 22 and name HB#) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 21 and name HA) (residue 22 and name HN) 4.3 2.5 0.7 
assign (residue 21 and name HB#) (residue 22 and name HN) 3.69 1.89 1.31 
assign (residue 22 and name HN) (residue 21 and name HB#) 2.70 0.90 0.90 ! made medium after round 10
assign (residue 22 and name HN) (residue 21 and name HN) 2.70 0.90 0.90 ! made medium
assign (residue 22 and name HN) (residue 21 and name HA) 3.40 1.60 1.60 ! added after round 3
assign (residue 25 and name HN) (residue 26 and name HG#) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 25 and name HA) (residue 26 and name HN) 4.22 2.42 0.78 
assign (residue 25 and name HN) (residue 26 and name HN) 3.27 1.47 0.33 
assign (residue 26 and name HN) (residue 25 and name HA) 4.01 2.21 0.99 
assign (residue 26 and name HE) (residue 25 and name HA) 3.40 1.60 1.60 ! made weak after round 1 w/cal
assign (residue 26 and name HN) (residue 25 and name HN) 2.72 0.92 0.08 
assign (residue 26 and name HB#) (residue 25 and name HB#) 3.40 1.60 1.60 ! made medium after round 1 w/cal; weak after round 10
assign (residue 26 and name HG#) (residue 25 and name HN) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 26 and name HN) (residue 27 and name HN) 3.04 1.24 0.56 
assign (residue 27 and name HN) (residue 26 and name HN) 3.66 1.86 1.34 
assign (residue 27 and name HB#) (residue 26 and name HA) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 9 and name HB#) (residue 8 and name HA) 3.90 2.10 2.10 ! made v. weak after round 4  - changed from 9 HB# -> 19 HA after round 1 w/cal

! +/- 2            
assign (residue 4 and name HN) (residue 2 and name HA) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 3 and name HA) (residue 5 and name HN) 3.40 1.60 1.60 ! added after round 3
assign (residue 5 and name HN) (residue 3 and name HA) 3.40 1.60 1.60 ! added after round 3
assign (residue 4 and name HA) (residue 6 and name HN) 4.84 3.04 0.16 
assign (residue 5 and name HB#) (residue 7 and name HA) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 6 and name HN) (residue 4 and name HN) 4.22 2.42 0.78 
assign (residue 6 and name HN) (residue 4 and name HA) 3.40 1.60 1.60 ! added after round 3
assign (residue 7 and name HN) (residue 5 and name HA) 3.40 1.60 1.60 ! added after round 3
assign (residue 6 and name HA) (residue 8 and name HN) 3.40 1.60 1.60 ! added after round 3
assign (residue 8 and name HA) (residue 6 and name HN) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 8 and name HB#) (residue 10 and name HB#) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 10 and name HB#) (residue 8 and name HB#) 3.90 2.10 2.10 ! made v. weak after round 4 
!assign (residue 9 and name HN) (residue 11 and name HA) 3.90 2.10 2.10 ! made v. weak after round 4 - removed after round 11
assign (residue 14 and name HD#) (residue 12 and name HN) 3.89 2.09 1.11 
!assign (residue 14 and name HD#) (residue 16 and name HA) 3.90 2.10 2.10 ! made v. weak after round 10 - removed after round 11
!assign (residue 16 and name HA) (residue 14 and name HD#) 3.90 2.10 2.10 ! made v. weak after round 10 - removed after round 11
assign (residue 16 and name HN) (residue 18 and name HN) 3.74 1.94 1.26 
assign (residue 16 and name HA) (residue 18 and name HN) 3.40 1.60 1.60 ! made weak
!assign (residue 17 and name HB#) (residue 19 and name HA) 3.40 1.60 1.60 ! made weak - changed to 9 HB# -> 8 HA after round 1 w/cal
!assign (residue 17 and name HD##) (residue 19 and name HA) 3.90 2.10 2.10 ! made v. weak after round 4  - removed after round 11
!assign (residue 19 and name HA) (residue 17 and name HD##) 3.90 2.10 2.10 ! made v. weak after round 4  - removed after round 11
assign (residue 19 and name HN) (residue 21 and name HA) 3.40 1.60 1.60 ! made weak
assign (residue 20 and name HA#) (residue 22 and name HN) 3.40 1.60 1.60 ! m -> w after round 6
assign (residue 21 and name HA) (residue 23 and name HG) 3.90 2.10 2.10 ! w -> v. weak after round 6 
! assign (residue 24 and name HA) (residue 22 and name HB#) 3.90 2.10 2.10 ! made v. weak after round 4 - removed after round 6 - somewhat ambiguous
assign (residue 25 and name HN) (residue 27 and name HN) 4.96 3.16 0.04 
assign (residue 27 and name HB#) (residue 25 and name HA) 3.90 2.10 2.10 ! made v. weak after round 4 

! +/- 3            
assign (residue 3 and name HA) (residue 6 and name HN) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 5 and name HA) (residue 8 and name HN) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 5 and name HA) (residue 8 and name HB#) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 6 and name HN) (residue 3 and name HA) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 6 and name HA) (residue 9 and name HG) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 6 and name HA) (residue 9 and name HN) 3.77 1.97 1.23 
assign (residue 6 and name HA) (residue 9 and name HB#) 3.59 1.79 0.01 
assign (residue 7 and name HN) (residue 10 and name HN) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 7 and name HA) (residue 10 and name HN) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 10 and name HN) (residue 7 and name HA) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 8 and name HN) (residue 5 and name HA) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 8 and name HN) (residue 11 and name HN) 3.90 2.10 2.10 ! added after round 12 - from 450 ms noesy. (Likely obscured by overlap on original 150 ms noesy.)
assign (residue 9 and name HG) (residue 6 and name HA) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 9 and name HN) (residue 6 and name HA) 3.40 1.60 1.60 ! made weak
assign (residue 9 and name HB#) (residue 6 and name HA) 3.40 1.60 1.60 ! made weak
assign (residue 10 and name HN) (residue 13 and name HA) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 12 and name HN) (residue 9 and name HN) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 14 and name HA) (residue 17 and name HN) 4.86 3.06 0.14 
!assign (residue 14 and name HB#) (residue 17 and name HA) 3.90 2.10 2.10 ! made v. weak after round 4 - removed after round 11
!assign (residue 15 and name HN) (residue 12 and name HN) 3.90 2.10 2.10 ! made v. weak after round 4 - removed after round 11
assign (residue 15 and name HA) (residue 18 and name HB#) 4.76 2.96 0.24 
assign (residue 15 and name HA) (residue 18 and name HB#) 3.40 1.60 1.60 ! made weak
assign (residue 15 and name HA) (residue 18 and name HN) 3.40 1.60 1.60 ! made weak after round 10
!assign (residue 16 and name HA) (residue 13 and name HB#) 3.40 1.60 1.60 ! made weak - removed after round 1 w/cal
assign (residue 16 and name HA) (residue 19 and name HB#) 3.40 1.60 1.60 ! made weak
assign (residue 16 and name HN) (residue 19 and name HB#) 3.40 1.60 1.60 ! made weak
assign (residue 16 and name HB) (residue 19 and name HB#) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 16 and name HG1#) (residue 19 and name HB#) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 17 and name HG) (residue 14 and name HB#) 3.40 1.60 1.60 ! added after round 5
assign (residue 17 and name HD##) (residue 14 and name HB#) 3.90 2.10 2.10 ! added after round 5; v. weak after round 10
assign (residue 17 and name HA) (residue 20 and name HN) 3.40 1.60 1.60 ! added after round 5
assign (residue 18 and name HB#) (residue 15 and name HA) 3.40 1.60 1.60 !made weak after round 1 w/cal 
assign (residue 18 and name HN) (residue 15 and name HA) 3.71 1.91 1.29 
assign (residue 18 and name HB#) (residue 15 and name HA) 3.40 1.60 1.60 ! made weak after round 10 
assign (residue 18 and name HA) (residue 21 and name HN) 4.43 2.63 0.57 
assign (residue 18 and name HA) (residue 21 and name HB#) 4.29 2.49 0.71 
assign (residue 19 and name HA) (residue 16 and name HN) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 19 and name HB#) (residue 16 and name HA) 3.40 1.60 1.60 ! made weak
assign (residue 19 and name HB#) (residue 16 and name HN) 3.40 1.60 1.60 ! made weak
assign (residue 19 and name HB#) (residue 16 and name HB) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 19 and name HB#) (residue 16 and name HG1#) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 21 and name HA) (residue 18 and name HN) 4.88 3.08 0.12 
assign (residue 21 and name HB#) (residue 18 and name HA) 4.7 2.9 0.3 
assign (residue 21 and name HN) (residue 18 and name HA) 3.90 2.10 2.10 ! made v. weak after round 4 
assign (residue 21 and name HA) (residue 24 and name HB2) 3.90 2.10 2.10 ! w -> v. weak after round 6 - added after round 5
assign (residue 23 and name HA) (residue 20 and name HN) 3.90 2.10 2.10 ! w -> v. weak after round 6 
assign (residue 24 and name HA) (residue 27 and name HB#) 4.42 2.62 0.58 
assign (residue 27 and name HB#) (residue 24 and name HA) 2.39 0.59 0.41 

! +/- 4            
assign (residue 2 and name HA) (residue 6 and name HB) 3.63 1.83 1.37 
assign (residue 6 and name HB) (residue 2 and name HA) 3.40 1.60 1.60 ! made weak after round 4
assign (residue 6 and name HA) (residue 10 and name HN) 3.40 1.60 1.60 ! added after round 3
assign (residue 10 and name HN) (residue 6 and name HA) 3.40 1.60 1.60 ! added after round 3
!assign (residue 9 and name HD##) (residue 13 and name HA) 3.8 2 1.2  !removed - weird peak in NOESY - after round 2 w/cal
! assign (residue 12 and name HN) (residue 8 and name HN) 4.26 2.46 0.74 ! removed after round 2 w/cal - v. close to diagonal & overlapped w/ 22/21 HN-HN
! assign (residue 14 and name HD) (residue 10 and name HN) 3.78 1.98 1.22 ! removed after round 2 w/cal - shift not good for P14HD
!assign (residue 15 and name HA) (residue 11 and name HN) 3.6 1.8 1.4 ! removed (temporarily?) after round 1 w/cal - overlap region
!assign (residue 17 and name HN) (residue 13 and name HA) 4.79 2.99 0.21 ! removed (temporarily?) after round 1 w/cal  - pretty weak peak, to begin with...
assign (residue 21 and name HN) (residue 17 and name HA) 4.08 2.28 0.92 


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