NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage position program type subtype subsubtype
1328 1ahl 5 cing recoord 1-original 2 XPLOR/CNS distance NOE simple


!NOE restraints
 !2 VAL
 assign (resid  2 and name   HN) (resid  2 and name   HB) 0 -1.78 3.52
 assign (resid  2 and name   HN) (resid 21 and name HG2#) 0 -1.78 4.90
 assign (resid  2 and name   HA) (resid  3 and name   HN) 0 -1.78 2.37
 assign (resid  2 and name   HB) (resid  3 and name   HN) 0 -1.78 3.79
 assign (resid  2 and name  HG#) (resid  3 and name   HN) 0 -1.78 5.80
 !3 SER
 assign (resid  3 and name   HN) (resid  3 and name  HB2) 0 -1.78 3.22
 assign (resid  3 and name   HN) (resid  3 and name  HB1) 0 -1.78 3.64
 assign (resid  3 and name   HA) (resid  4 and name   HN) 0 -1.78 2.64
 assign (resid  3 and name   HA) (resid 21 and name   HA) 0 -1.78 3.55
 assign (resid  3 and name   HA) (resid 21 and name HG2#) 0 -1.78 6.17
 assign (resid  3 and name   HA) (resid 22 and name   HN) 0 -1.78 3.39
 assign (resid  3 and name  HB2) (resid  4 and name   HN) 0 -1.78 3.35
 assign (resid  3 and name  HB2) (resid 18 and name  HB#) 0 -1.78 5.44
 assign (resid  3 and name  HB2) (resid 18 and name   HG) 0 -1.78 4.33
 assign (resid  3 and name  HB2) (resid 18 and name HD1#) 0 -1.78 6.03
 assign (resid  3 and name  HB2) (resid 18 and name HD2#) 0 -1.78 6.03
 assign (resid  3 and name  HB2) (resid 18 and name  HD#) 0 -1.78 5.75
 assign (resid  3 and name  HB1) (resid  4 and name   HN) 0 -1.78 3.30
 assign (resid  3 and name  HB1) (resid 18 and name  HB#) 0 -1.78 4.56
 assign (resid  3 and name  HB1) (resid 18 and name   HG) 0 -1.78 3.36
 !4 CYS
 assign (resid  4 and name   HN) (resid 20 and name   HN) 0 -1.78 3.61
 assign (resid  4 and name   HN) (resid 21 and name   HN) 0 -1.78 5.00
 assign (resid  4 and name   CB) (resid 46 and name   SG) 0 -1.78 3.20
 assign (resid  4 and name  HB#) (resid  5 and name   HN) 0 -1.78 4.51
 assign (resid  4 and name   SG) (resid 46 and name   CB) 0 -1.78 3.20
 assign (resid  4 and name   SG) (resid 46 and name   SG) 0 -1.78 2.10
 !5 LEU
 assign (resid  5 and name   HN) (resid  5 and name  HB2) 0 -1.78 3.44
 assign (resid  5 and name   HN) (resid  5 and name  HB1) 0 -1.78 3.44
 assign (resid  5 and name   HN) (resid  5 and name  HB#) 0 -1.78 3.27
 assign (resid  5 and name   HN) (resid  5 and name   HG) 0 -1.78 3.82
 assign (resid  5 and name   HN) (resid  5 and name HD1#) 0 -1.78 6.31
 assign (resid  5 and name   HN) (resid  5 and name HD2#) 0 -1.78 6.31
 assign (resid  5 and name   HN) (resid  5 and name  HD#) 0 -1.78 5.79
 assign (resid  5 and name   HN) (resid  6 and name   HN) 0 -1.78 4.52
 assign (resid  5 and name   HN) (resid 18 and name  HD#) 0 -1.78 6.43
 assign (resid  5 and name   HA) (resid  5 and name HD1#) 0 -1.78 4.80
 assign (resid  5 and name   HA) (resid  5 and name HD2#) 0 -1.78 4.80
 assign (resid  5 and name   HA) (resid  5 and name  HD#) 0 -1.78 4.33
 assign (resid  5 and name   HA) (resid  6 and name   HN) 0 -1.78 2.67
 assign (resid  5 and name  HB2) (resid  6 and name   HN) 0 -1.78 4.95
 assign (resid  5 and name  HB1) (resid  6 and name   HN) 0 -1.78 4.95
 assign (resid  5 and name  HB#) (resid  6 and name   HN) 0 -1.78 4.63
 assign (resid  5 and name   HG) (resid  6 and name   HN) 0 -1.78 4.31
 assign (resid  5 and name HD1#) (resid  9 and name  HB2) 0 -1.78 5.04
 assign (resid  5 and name HD2#) (resid  9 and name  HB2) 0 -1.78 5.04
 assign (resid  5 and name  HD#) (resid  6 and name   HN) 0 -1.78 6.67
 assign (resid  5 and name  HD#) (resid  9 and name  HB2) 0 -1.78 4.60
 assign (resid  5 and name  HD#) (resid  9 and name  HB1) 0 -1.78 6.11
 !6 CYS
 assign (resid  6 and name   HN) (resid  6 and name  HB2) 0 -1.78 3.48
 assign (resid  6 and name   HN) (resid  6 and name  HB1) 0 -1.78 3.81
 assign (resid  6 and name   HN) (resid  9 and name  HB2) 0 -1.78 3.97
 assign (resid  6 and name   HN) (resid  9 and name  HB1) 0 -1.78 4.04
 assign (resid  6 and name   HN) (resid 19 and name   HN) 0 -1.78 4.12
 assign (resid  6 and name   HN) (resid 20 and name   HN) 0 -1.78 4.36
 assign (resid  6 and name   HA) (resid  7 and name   HN) 0 -1.78 2.64
 assign (resid  6 and name   CB) (resid 36 and name   SG) 0 -1.78 3.20
 assign (resid  6 and name  HB2) (resid  7 and name   HN) 0 -1.78 4.17
 assign (resid  6 and name  HB2) (resid  8 and name   HN) 0 -1.78 4.53
 assign (resid  6 and name  HB2) (resid  9 and name   HN) 0 -1.78 4.40
 assign (resid  6 and name  HB2) (resid 36 and name  HB#) 0 -1.78 4.91
 assign (resid  6 and name  HB1) (resid  7 and name   HN) 0 -1.78 3.73
 assign (resid  6 and name  HB1) (resid  8 and name   HN) 0 -1.78 3.39
 assign (resid  6 and name  HB1) (resid  9 and name   HN) 0 -1.78 4.81
 assign (resid  6 and name   SG) (resid 36 and name   CB) 0 -1.78 3.20
 assign (resid  6 and name   SG) (resid 36 and name   SG) 0 -1.78 2.10
 !7 ASP
 assign (resid  7 and name   HN) (resid  7 and name  HB2) 0 -1.78 3.68
 assign (resid  7 and name   HN) (resid  7 and name  HB1) 0 -1.78 3.68
 assign (resid  7 and name   HN) (resid  8 and name   HN) 0 -1.78 4.22
 assign (resid  7 and name   HN) (resid 36 and name   HA) 0 -1.78 5.44 
 assign (resid  7 and name   HN) (resid 37 and name   HA) 0 -1.78 3.66
 assign (resid  7 and name   HA) (resid  8 and name   HN) 0 -1.78 3.29
 assign (resid  7 and name   HA) (resid  9 and name   HN) 0 -1.78 5.30
 assign (resid  7 and name  HB2) (resid  8 and name   HN) 0 -1.78 3.96
 assign (resid  7 and name  HB1) (resid  8 and name   HN) 0 -1.78 3.96
 !8 SER
 assign (resid  8 and name   HN) (resid  9 and name   HN) 0 -1.78 4.05
 !9 ASP
 assign (resid  9 and name   HN) (resid  9 and name  HB2) 0 -1.78 3.55
 assign (resid  9 and name   HN) (resid  9 and name  HB1) 0 -1.78 3.67
 assign (resid  9 and name   HA) (resid 10 and name   HN) 0 -1.78 2.95
 !10 GLY
 assign (resid 10 and name   HN) (resid 10 and name  HA#) 0 -1.78 2.56
 assign (resid 10 and name  HA#) (resid 11 and name  HD#) 0 -1.78 3.19
 !11 PRO
 assign (resid 11 and name   HA) (resid 12 and name   HN) 0 -1.78 2.71
 assign (resid 11 and name  HB2) (resid 12 and name   HN) 0 -1.78 4.23
 assign (resid 11 and name  HB1) (resid 12 and name   HN) 0 -1.78 4.23
 assign (resid 11 and name  HB#) (resid 12 and name   HN) 0 -1.78 4.03
 assign (resid 11 and name  HG#) (resid 12 and name   HN) 0 -1.78 5.06
 !12 SER
 assign (resid 12 and name   HA) (resid 13 and name   HN) 0 -1.78 2.72
 assign (resid 12 and name  HB2) (resid 13 and name   HN) 0 -1.78 4.14
 assign (resid 12 and name  HB1) (resid 13 and name   HN) 0 -1.78 4.14
 assign (resid 12 and name  HB#) (resid 13 and name   HN) 0 -1.78 3.85
 !13 VAL
 assign (resid 13 and name   HN) (resid 13 and name   HB) 0 -1.78 3.69
 assign (resid 13 and name   HA) (resid 14 and name   HN) 0 -1.78 2.85
 assign (resid 13 and name   HB) (resid 14 and name   HN) 0 -1.78 3.86
 assign (resid 13 and name  HG#) (resid 14 and name   HN) 0 -1.78 6.16
 !14 ARG
 assign (resid 14 and name   HN) (resid 14 and name  HB#) 0 -1.78 3.71
 assign (resid 14 and name   HN) (resid 14 and name  HG#) 0 -1.78 4.71
 assign (resid 14 and name   HA) (resid 14 and name  HG#) 0 -1.78 3.99
 assign (resid 14 and name   HA) (resid 15 and name   HN) 0 -1.78 2.73
 assign (resid 14 and name   HA) (resid 16 and name   HN) 0 -1.78 3.33
 assign (resid 14 and name  HB2) (resid 15 and name   HN) 0 -1.78 4.50
 assign (resid 14 and name  HB1) (resid 15 and name   HN) 0 -1.78 4.50
 assign (resid 14 and name  HB#) (resid 15 and name   HN) 0 -1.78 4.09
 assign (resid 14 and name  HG#) (resid 15 and name   HN) 0 -1.78 4.66
 !15 GLY
 assign (resid 15 and name   HN) (resid 16 and name   HN) 0 -1.78 4.21
 assign (resid 15 and name  HA#) (resid 16 and name   HN) 0 -1.78 3.05
 !16 ASN
 assign (resid 16 and name   HN) (resid 16 and name   HA) 0 -1.78 2.88
 assign (resid 16 and name   HN) (resid 16 and name  HB2) 0 -1.78 3.59
 assign (resid 16 and name   HN) (resid 16 and name  HB1) 0 -1.78 3.59
 assign (resid 16 and name   HA) (resid 17 and name   HN) 0 -1.78 3.39
 assign (resid 16 and name  HB2) (resid 16 and name HD22) 0 -1.78 3.96
 assign (resid 16 and name  HB2) (resid 17 and name   HN) 0 -1.78 3.89
 assign (resid 16 and name  HB1) (resid 16 and name HD22) 0 -1.78 3.96
 assign (resid 16 and name  HB1) (resid 17 and name   HN) 0 -1.78 3.89
 assign (resid 16 and name  HB#) (resid 16 and name HD22) 0 -1.78 3.79
 assign (resid 16 and name  HB#) (resid 17 and name   HN) 0 -1.78 3.62
 assign (resid 16 and name HD21) (resid 17 and name   HA) 0 -1.78 5.39
 assign (resid 16 and name HD22) (resid 17 and name   HA) 0 -1.78 5.69
 !17 THR
 assign (resid 17 and name   HN) (resid 17 and name   HA) 0 -1.78 2.91
 assign (resid 17 and name   HA) (resid 18 and name   HN) 0 -1.78 2.74
 assign (resid 17 and name   HB) (resid 18 and name   HN) 0 -1.78 4.06
 assign (resid 17 and name HG2#) (resid 18 and name   HN) 0 -1.78 4.92
 !18 LEU
 assign (resid 18 and name   HN) (resid 18 and name  HB#) 0 -1.78 3.69
 assign (resid 18 and name   HN) (resid 18 and name   HG) 0 -1.78 3.85
 assign (resid 18 and name   HN) (resid 18 and name HD1#) 0 -1.78 5.52
 assign (resid 18 and name   HN) (resid 18 and name HD2#) 0 -1.78 5.52
 assign (resid 18 and name   HN) (resid 18 and name  HD#) 0 -1.78 5.10
 assign (resid 18 and name   HN) (resid 19 and name   HN) 0 -1.78 4.45
 assign (resid 18 and name   HA) (resid 18 and name   HG) 0 -1.78 3.72
 assign (resid 18 and name   HA) (resid 18 and name HD1#) 0 -1.78 4.90
 assign (resid 18 and name   HA) (resid 18 and name HD2#) 0 -1.78 4.90
 assign (resid 18 and name   HA) (resid 18 and name  HD#) 0 -1.78 4.39
 assign (resid 18 and name   HA) (resid 19 and name   HN) 0 -1.78 2.80
 assign (resid 18 and name   HA) (resid 20 and name   HN) 0 -1.78 3.51
 assign (resid 18 and name  HB#) (resid 19 and name   HN) 0 -1.78 5.70
 assign (resid 18 and name   HG) (resid 19 and name   HN) 0 -1.78 4.53
 !19 SER
 assign (resid 19 and name   HN) (resid 20 and name   HN) 0 -1.78 3.13
 !20 GLY
 assign (resid 20 and name   HN) (resid 20 and name  HA1) 0 -1.78 2.75
 assign (resid 20 and name   HN) (resid 20 and name  HA2) 0 -1.78 2.75
 assign (resid 20 and name   HN) (resid 21 and name   HN) 0 -1.78 4.35
 assign (resid 20 and name  HA#) (resid 21 and name   HN) 0 -1.78 3.16
 !21 THR
 assign (resid 21 and name   HN) (resid 21 and name   HA) 0 -1.78 2.79
 assign (resid 21 and name   HN) (resid 21 and name   HB) 0 -1.78 3.22
 assign (resid 21 and name   HN) (resid 22 and name   HN) 0 -1.78 3.90
 assign (resid 21 and name   HN) (resid 23 and name  HD1) 0 -1.78 5.60
 assign (resid 21 and name   HN) (resid 23 and name  HE1) 0 -1.78 5.71
 assign (resid 21 and name   HN) (resid 33 and name  HE3) 0 -1.78 4.96
 assign (resid 21 and name   HN) (resid 33 and name  HZ3) 0 -1.78 3.97
 assign (resid 21 and name   HN) (resid 47 and name   HN) 0 -1.78 3.13
 assign (resid 21 and name   HN) (resid 47 and name   HA) 0 -1.78 4.57
 assign (resid 21 and name   HN) (resid 47 and name  HB#) 0 -1.78 5.56
 assign (resid 21 and name   HN) (resid 48 and name   HA) 0 -1.78 3.60
 assign (resid 21 and name   HA) (resid 22 and name   HN) 0 -1.78 2.52
 assign (resid 21 and name   HB) (resid 22 and name   HN) 0 -1.78 3.55
 assign (resid 21 and name   HB) (resid 23 and name  HD1) 0 -1.78 4.45
 assign (resid 21 and name   HB) (resid 23 and name  HE1) 0 -1.78 3.86
 assign (resid 21 and name   HB) (resid 33 and name  HE3) 0 -1.78 4.57
 assign (resid 21 and name   HB) (resid 33 and name  HZ3) 0 -1.78 3.40
 assign (resid 21 and name   HB) (resid 33 and name  HH2) 0 -1.78 3.83
 assign (resid 21 and name   HB) (resid 47 and name   HN) 0 -1.78 4.62
 assign (resid 21 and name   HB) (resid 48 and name   HA) 0 -1.78 4.64
 assign (resid 21 and name HG2#) (resid 22 and name   HN) 0 -1.78 4.52
 assign (resid 21 and name HG2#) (resid 23 and name  HD1) 0 -1.78 5.16
 assign (resid 21 and name HG2#) (resid 23 and name  HE1) 0 -1.78 5.31
 assign (resid 21 and name HG2#) (resid 23 and name  HZ2) 0 -1.78 5.29
 assign (resid 21 and name HG2#) (resid 23 and name  HH2) 0 -1.78 6.63
 assign (resid 21 and name HG2#) (resid 33 and name  HZ3) 0 -1.78 5.15
 assign (resid 21 and name HG2#) (resid 33 and name  HH2) 0 -1.78 4.96
 !22 LEU
 assign (resid 22 and name   HN) (resid 22 and name  HB2) 0 -1.78 3.36
 assign (resid 22 and name   HN) (resid 22 and name  HB1) 0 -1.78 3.23
 assign (resid 22 and name   HN) (resid 22 and name   HG) 0 -1.78 4.86
 assign (resid 22 and name   HN) (resid 22 and name  HD#) 0 -1.78 5.89
 assign (resid 22 and name   HA) (resid 23 and name   HN) 0 -1.78 2.56
 assign (resid 22 and name   HA) (resid 23 and name  HD1) 0 -1.78 5.53
 assign (resid 22 and name   HA) (resid 46 and name   HA) 0 -1.78 2.67
 assign (resid 22 and name   HA) (resid 47 and name   HN) 0 -1.78 3.60
 assign (resid 22 and name  HB2) (resid 22 and name   HG) 0 -1.78 2.94
 assign (resid 22 and name  HB2) (resid 23 and name   HN) 0 -1.78 3.67
 assign (resid 22 and name  HB2) (resid 46 and name   HA) 0 -1.78 3.59
 assign (resid 22 and name  HB1) (resid 23 and name   HN) 0 -1.78 4.84
 assign (resid 22 and name  HB1) (resid 46 and name   HA) 0 -1.78 4.56
 assign (resid 22 and name   HG) (resid 23 and name   HN) 0 -1.78 4.02
 assign (resid 22 and name   HG) (resid 45 and name   HN) 0 -1.78 4.53
 assign (resid 22 and name   HG) (resid 46 and name   HA) 0 -1.78 5.06
 assign (resid 22 and name  HD#) (resid 46 and name   HN) 0 -1.78 6.42
 !23 TRP
 assign (resid 23 and name   HN) (resid 23 and name  HD1) 0 -1.78 4.13
 assign (resid 23 and name   HN) (resid 24 and name   HN) 0 -1.78 4.29
 assign (resid 23 and name   HN) (resid 45 and name   HN) 0 -1.78 3.31
 assign (resid 23 and name   HN) (resid 46 and name   HA) 0 -1.78 3.50
 assign (resid 23 and name   HA) (resid 23 and name  HE3) 0 -1.78 3.42
 assign (resid 23 and name  HB#) (resid 25 and name  HE#) 0 -1.78 7.23
 assign (resid 23 and name  HB#) (resid 45 and name   HN) 0 -1.78 6.66
 assign (resid 23 and name  HD1) (resid 30 and name  HG2) 0 -1.78 5.19
 assign (resid 23 and name  HD1) (resid 30 and name  HG1) 0 -1.78 5.19
 assign (resid 23 and name  HD1) (resid 30 and name  HG#) 0 -1.78 4.94
 assign (resid 23 and name  HD1) (resid 30 and name  HD#) 0 -1.78 5.33
 assign (resid 23 and name  HD1) (resid 33 and name  HE3) 0 -1.78 4.35
 assign (resid 23 and name  HD1) (resid 33 and name  HH2) 0 -1.78 4.95
 assign (resid 23 and name  HD1) (resid 46 and name   HA) 0 -1.78 4.64
 assign (resid 23 and name  HD1) (resid 47 and name   HN) 0 -1.78 4.11
 assign (resid 23 and name  HD1) (resid 47 and name  HB#) 0 -1.78 4.21
 assign (resid 23 and name  HE3) (resid 24 and name   HN) 0 -1.78 4.22
 assign (resid 23 and name  HE3) (resid 25 and name  HB2) 0 -1.78 4.19
 assign (resid 23 and name  HE3) (resid 25 and name  HB1) 0 -1.78 4.19
 assign (resid 23 and name  HE3) (resid 25 and name  HE#) 0 -1.78 5.83
 assign (resid 23 and name  HE1) (resid 30 and name  HG#) 0 -1.78 6.36
 assign (resid 23 and name  HE1) (resid 33 and name  HE3) 0 -1.78 4.06
 assign (resid 23 and name  HE1) (resid 33 and name  HZ3) 0 -1.78 4.14
 assign (resid 23 and name  HE1) (resid 33 and name  HZ2) 0 -1.78 5.46
 assign (resid 23 and name  HE1) (resid 33 and name  HH2) 0 -1.78 4.34
 assign (resid 23 and name  HZ2) (resid 30 and name  HG2) 0 -1.78 5.13
 assign (resid 23 and name  HZ2) (resid 30 and name  HG1) 0 -1.78 5.13
 assign (resid 23 and name  HZ2) (resid 30 and name  HG#) 0 -1.78 4.74
 assign (resid 23 and name  HZ2) (resid 30 and name  HG#) 0 -1.78 4.74
 assign (resid 23 and name  HZ2) (resid 33 and name  HE1) 0 -1.78 4.12
 assign (resid 23 and name  HZ2) (resid 33 and name  HZ2) 0 -1.78 3.61
 assign (resid 23 and name  HZ2) (resid 33 and name  HH2) 0 -1.78 4.26
 assign (resid 23 and name  HH2) (resid 30 and name  HG2) 0 -1.78 5.83
 assign (resid 23 and name  HH2) (resid 30 and name  HG1) 0 -1.78 5.83
 assign (resid 23 and name  HH2) (resid 30 and name  HG#) 0 -1.78 5.14
 !24 LEU
 assign (resid 24 and name   HN) (resid 24 and name   HA) 0 -1.78 2.91
 assign (resid 24 and name   HN) (resid 24 and name  HB2) 0 -1.78 3.34
 assign (resid 24 and name   HN) (resid 24 and name  HB1) 0 -1.78 3.61
 assign (resid 24 and name   HN) (resid 24 and name   HG) 0 -1.78 3.35
 assign (resid 24 and name   HN) (resid 24 and name HD1#) 0 -1.78 5.51
 assign (resid 24 and name   HN) (resid 24 and name HD2#) 0 -1.78 5.51
 assign (resid 24 and name   HN) (resid 25 and name   HN) 0 -1.78 3.85
 assign (resid 24 and name   HA) (resid 24 and name   HG) 0 -1.78 3.33
 assign (resid 24 and name   HA) (resid 24 and name HD1#) 0 -1.78 4.88
 assign (resid 24 and name   HA) (resid 24 and name HD2#) 0 -1.78 4.88
 assign (resid 24 and name   HA) (resid 24 and name  HD#) 0 -1.78 4.33
 assign (resid 24 and name   HA) (resid 25 and name   HN) 0 -1.78 3.17
 assign (resid 24 and name   HA) (resid 44 and name  HA1) 0 -1.78 3.30
 assign (resid 24 and name   HA) (resid 44 and name  HA2) 0 -1.78 3.30
 assign (resid 24 and name   HA) (resid 44 and name  HA#) 0 -1.78 2.98
 assign (resid 24 and name  HB2) (resid 25 and name   HN) 0 -1.78 5.16
 assign (resid 24 and name   HG) (resid 25 and name   HN) 0 -1.78 3.61
 assign (resid 24 and name  HD#) (resid 44 and name   HN) 0 -1.78 7.67
 assign (resid 24 and name  HD#) (resid 45 and name   HN) 0 -1.78 8.01
 !25 TYR
 assign (resid 25 and name   HN) (resid 25 and name  HB2) 0 -1.78 3.35
 assign (resid 25 and name   HN) (resid 25 and name  HB1) 0 -1.78 3.79
 assign (resid 25 and name   HA) (resid 26 and name  HD2) 0 -1.78 3.17
 assign (resid 25 and name   HA) (resid 26 and name  HD1) 0 -1.78 3.17
 assign (resid 25 and name   HA) (resid 27 and name   HN) 0 -1.78 4.18
 assign (resid 25 and name  HB2) (resid 26 and name  HD#) 0 -1.78 5.07
 assign (resid 25 and name  HB2) (resid 27 and name   HN) 0 -1.78 3.53
 assign (resid 25 and name  HB1) (resid 26 and name  HD2) 0 -1.78 4.19
 assign (resid 25 and name  HB1) (resid 26 and name  HD1) 0 -1.78 4.19
 assign (resid 25 and name  HB1) (resid 26 and name  HD#) 0 -1.78 3.81
 assign (resid 25 and name  HB1) (resid 27 and name   HN) 0 -1.78 3.82
 assign (resid 25 and name  HB#) (resid 28 and name   HN) 0 -1.78 3.86
 assign (resid 25 and name  HB1) (resid 28 and name   HN) 0 -1.78 4.33
 assign (resid 25 and name  HB2) (resid 28 and name   HN) 0 -1.78 4.33
 assign (resid 25 and name  HD#) (resid 30 and name   HA) 0 -1.78 6.48
 assign (resid 25 and name  HE#) (resid 30 and name   HA) 0 -1.78 6.78
 assign (resid 25 and name  HE#) (resid 30 and name  HB#) 0 -1.78 6.55
 assign (resid 25 and name  HE#) (resid 30 and name  HG2) 0 -1.78 6.85
 assign (resid 25 and name  HE#) (resid 30 and name  HG1) 0 -1.78 6.85
 assign (resid 25 and name  HE#) (resid 30 and name  HG#) 0 -1.78 6.66
 assign (resid 25 and name  HD#) (resid 30 and name  HD#) 0 -1.78 7.26
 assign (resid 25 and name  HE#) (resid 30 and name  HD#) 0 -1.78 7.56
 !26 PRO
 assign (resid 26 and name   HA) (resid 27 and name   HN) 0 -1.78 3.16
 assign (resid 26 and name   HA) (resid 45 and name  HD1) 0 -1.78 4.74
 assign (resid 26 and name   HA) (resid 45 and name  HE1) 0 -1.78 4.65
 assign (resid 26 and name  HB#) (resid 27 and name   HN) 0 -1.78 4.19
 assign (resid 26 and name  HG#) (resid 27 and name   HN) 0 -1.78 4.85
 assign (resid 26 and name  HD#) (resid 27 and name   HN) 0 -1.78 4.43
 !27 SER
 assign (resid 27 and name   HN) (resid 27 and name  HB2) 0 -1.78 3.90
 assign (resid 27 and name   HN) (resid 27 and name  HB1) 0 -1.78 3.58
 assign (resid 27 and name   HN) (resid 28 and name   HN) 0 -1.78 3.02
 assign (resid 27 and name   HA) (resid 28 and name   HN) 0 -1.78 3.21
 assign (resid 27 and name   HA) (resid 45 and name  HE1) 0 -1.78 7.24
 assign (resid 27 and name   HA) (resid 45 and name  HZ2) 0 -1.78 6.27
 assign (resid 27 and name  HB2) (resid 28 and name   HN) 0 -1.78 4.87
 assign (resid 27 and name  HB2) (resid 45 and name  HZ2) 0 -1.78 4.69
 assign (resid 27 and name  HB1) (resid 28 and name   HN) 0 -1.78 4.81
 !28 GLY
 assign (resid 28 and name   HN) (resid 29 and name   HN) 0 -1.78 4.29
 assign (resid 28 and name   HN) (resid 45 and name  HE1) 0 -1.78 3.98
 assign (resid 28 and name  HA1) (resid 29 and name   HN) 0 -1.78 3.04
 assign (resid 28 and name  HA2) (resid 29 and name   HN) 0 -1.78 3.04
 assign (resid 28 and name  HA#) (resid 29 and name   HN) 0 -1.78 2.81
 assign (resid 28 and name  HA#) (resid 45 and name  HD1) 0 -1.78 5.44
 assign (resid 28 and name  HA#) (resid 45 and name  HE1) 0 -1.78 5.69
 !29 CYS
 assign (resid 29 and name   HN) (resid 29 and name   HA) 0 -1.78 2.56
 assign (resid 29 and name   HN) (resid 29 and name  HB2) 0 -1.78 3.42
 assign (resid 29 and name   HN) (resid 29 and name  HB1) 0 -1.78 3.42
 assign (resid 29 and name   HA) (resid 30 and name  HD2) 0 -1.78 3.11
 assign (resid 29 and name   HA) (resid 30 and name  HD1) 0 -1.78 3.11
 assign (resid 29 and name   HA) (resid 45 and name  HB2) 0 -1.78 5.45
 assign (resid 29 and name   CB) (resid 47 and name   SG) 0 -1.78 3.20
 assign (resid 29 and name   SG) (resid 47 and name   CB) 0 -1.78 3.20
 assign (resid 29 and name   SG) (resid 47 and name   SG) 0 -1.78 2.10
 !30 PRO
 assign (resid 30 and name   HA) (resid 31 and name   HN) 0 -1.78 2.50
 assign (resid 30 and name  HB#) (resid 31 and name   HN) 0 -1.78 4.25
 assign (resid 30 and name  HB#) (resid 33 and name  HE1) 0 -1.78 5.67
 assign (resid 30 and name  HG2) (resid 31 and name   HN) 0 -1.78 5.64
 assign (resid 30 and name  HG2) (resid 33 and name  HD1) 0 -1.78 4.32
 assign (resid 30 and name  HG2) (resid 33 and name  HE1) 0 -1.78 5.00
 assign (resid 30 and name  HG1) (resid 31 and name   HN) 0 -1.78 5.64
 assign (resid 30 and name  HG1) (resid 33 and name  HD1) 0 -1.78 4.32
 assign (resid 30 and name  HG1) (resid 33 and name  HE1) 0 -1.78 5.00
 assign (resid 30 and name  HG#) (resid 31 and name   HN) 0 -1.78 5.49
 assign (resid 30 and name  HG#) (resid 33 and name  HB2) 0 -1.78 5.78
 assign (resid 30 and name  HG#) (resid 33 and name  HB1) 0 -1.78 5.50
 assign (resid 30 and name  HG#) (resid 33 and name  HD1) 0 -1.78 3.86
 assign (resid 30 and name  HG#) (resid 33 and name  HE1) 0 -1.78 4.59
 assign (resid 30 and name  HD2) (resid 33 and name  HD1) 0 -1.78 5.46
 assign (resid 30 and name  HD1) (resid 33 and name  HD1) 0 -1.78 5.46
 assign (resid 30 and name  HD#) (resid 31 and name   HN) 0 -1.78 5.18
 assign (resid 30 and name  HD#) (resid 33 and name  HB1) 0 -1.78 3.65
 assign (resid 30 and name  HD#) (resid 33 and name  HD1) 0 -1.78 4.96
 !31 SER
 assign (resid 31 and name   HN) (resid 31 and name   HA) 0 -1.78 2.69
 assign (resid 31 and name   HN) (resid 32 and name   HN) 0 -1.78 4.13
 assign (resid 31 and name   HN) (resid 33 and name  HD1) 0 -1.78 5.03
 assign (resid 31 and name   HA) (resid 32 and name   HN) 0 -1.78 2.47
 assign (resid 31 and name   HA) (resid 33 and name   HN) 0 -1.78 2.89
 !32 GLY
 assign (resid 32 and name   HN) (resid 32 and name  HA1) 0 -1.78 2.92
 assign (resid 32 and name   HN) (resid 32 and name  HA2) 0 -1.78 2.92
 assign (resid 32 and name   HN) (resid 33 and name   HN) 0 -1.78 2.90
 assign (resid 32 and name   HN) (resid 33 and name  HB2) 0 -1.78 4.10
 assign (resid 32 and name   HN) (resid 33 and name  HD1) 0 -1.78 4.88
 assign (resid 32 and name  HA1) (resid 33 and name  HD1) 0 -1.78 4.45
 assign (resid 32 and name  HA2) (resid 33 and name  HD1) 0 -1.78 4.45
 assign (resid 32 and name  HA#) (resid 33 and name  HD1) 0 -1.78 4.06
 assign (resid 32 and name  HA#) (resid 33 and name  HE1) 0 -1.78 5.85
 !33 TRP
 assign (resid 33 and name   HN) (resid 33 and name  HB2) 0 -1.78 3.39
 assign (resid 33 and name   HN) (resid 33 and name  HB1) 0 -1.78 3.68
 assign (resid 33 and name   HN) (resid 33 and name  HD1) 0 -1.78 3.52
 assign (resid 33 and name   HN) (resid 34 and name   HN) 0 -1.78 3.92
 assign (resid 33 and name   HA) (resid 34 and name   HN) 0 -1.78 2.91
 assign (resid 33 and name  HB2) (resid 33 and name  HE3) 0 -1.78 3.54
 assign (resid 33 and name  HB2) (resid 34 and name   HN) 0 -1.78 3.64
 assign (resid 33 and name  HB1) (resid 33 and name  HE3) 0 -1.78 3.29
 assign (resid 33 and name  HB1) (resid 33 and name  HZ3) 0 -1.78 4.97
 assign (resid 33 and name  HB1) (resid 34 and name   HN) 0 -1.78 3.63
 assign (resid 33 and name  HB1) (resid 48 and name   HN) 0 -1.78 4.46
 assign (resid 33 and name  HD1) (resid 49 and name  HG#) 0 -1.78 6.47
 assign (resid 33 and name  HE3) (resid 34 and name   HN) 0 -1.78 3.92
 assign (resid 33 and name  HE3) (resid 48 and name   HN) 0 -1.78 3.87
 assign (resid 33 and name  HE3) (resid 48 and name   HA) 0 -1.78 3.37
 assign (resid 33 and name  HE3) (resid 49 and name   HN) 0 -1.78 3.86
 assign (resid 33 and name  HE3) (resid 49 and name  HG#) 0 -1.78 5.46
 assign (resid 33 and name  HE1) (resid 49 and name  HG#) 0 -1.78 6.01
 assign (resid 33 and name  HE1) (resid 49 and name HE22) 0 -1.78 4.58
 assign (resid 33 and name  HZ3) (resid 47 and name  HB#) 0 -1.78 5.10
 assign (resid 33 and name  HZ3) (resid 48 and name   HA) 0 -1.78 3.44
 assign (resid 33 and name  HZ3) (resid 49 and name  HG#) 0 -1.78 5.42
 assign (resid 33 and name  HZ2) (resid 49 and name  HG#) 0 -1.78 4.55
 assign (resid 33 and name  HH2) (resid 48 and name   HA) 0 -1.78 4.06
 assign (resid 33 and name  HH2) (resid 49 and name  HG#) 0 -1.78 5.54
 !34 HIS
 assign (resid 34 and name   HN) (resid 34 and name   HA) 0 -1.78 2.73
 assign (resid 34 and name   HN) (resid 34 and name  HB2) 0 -1.78 3.81
 assign (resid 34 and name   HN) (resid 34 and name  HB1) 0 -1.78 3.81
 assign (resid 34 and name   HN) (resid 34 and name  HB#) 0 -1.78 3.49
 assign (resid 34 and name   HN) (resid 34 and name  HD2) 0 -1.78 4.97
 assign (resid 34 and name   HN) (resid 48 and name   HN) 0 -1.78 3.09
 assign (resid 34 and name   HN) (resid 49 and name   HA) 0 -1.78 3.69
 assign (resid 34 and name   HA) (resid 35 and name   HN) 0 -1.78 3.23
 assign (resid 34 and name  HB2) (resid 35 and name   HN) 0 -1.78 3.69
 assign (resid 34 and name  HB1) (resid 35 and name   HN) 0 -1.78 3.69
 !35 ASN
 assign (resid 35 and name   HN) (resid 35 and name  HB#) 0 -1.78 3.75
 assign (resid 35 and name   HN) (resid 35 and name HD22) 0 -1.78 4.71
 assign (resid 35 and name   HN) (resid 36 and name   HN) 0 -1.78 4.57
 assign (resid 35 and name   HA) (resid 36 and name   HN) 0 -1.78 2.81
 assign (resid 35 and name   HA) (resid 47 and name   HA) 0 -1.78 3.47
 assign (resid 35 and name   HA) (resid 48 and name   HN) 0 -1.78 3.42
 assign (resid 35 and name  HB2) (resid 36 and name   HN) 0 -1.78 4.44
 assign (resid 35 and name  HB1) (resid 36 and name   HN) 0 -1.78 4.44
 assign (resid 35 and name  HB#) (resid 35 and name HD22) 0 -1.78 3.77
 assign (resid 35 and name  HB#) (resid 36 and name   HN) 0 -1.78 3.98
 !36 CYS
 assign (resid 36 and name   HN) (resid 37 and name   HN) 0 -1.78 3.07
 assign (resid 36 and name   HN) (resid 37 and name  HB2) 0 -1.78 4.65
 assign (resid 36 and name   HN) (resid 46 and name   HN) 0 -1.78 6.10
 assign (resid 36 and name   HN) (resid 47 and name   HA) 0 -1.78 3.14
 assign (resid 36 and name   HA) (resid 37 and name   HN) 0 -1.78 3.64
 !37 LYS
 assign (resid 37 and name   HN) (resid 37 and name   HA) 0 -1.78 2.87
 assign (resid 37 and name   HN) (resid 37 and name  HB2) 0 -1.78 3.50
 assign (resid 37 and name   HN) (resid 37 and name  HB1) 0 -1.78 4.03
 assign (resid 37 and name   HN) (resid 37 and name  HG#) 0 -1.78 5.05
 assign (resid 37 and name   HN) (resid 38 and name   HN) 0 -1.78 4.19
 assign (resid 37 and name   HA) (resid 37 and name  HD#) 0 -1.78 5.06
 assign (resid 37 and name   HA) (resid 38 and name   HN) 0 -1.78 2.49
 assign (resid 37 and name  HB2) (resid 37 and name  HE#) 0 -1.78 4.29
 assign (resid 37 and name  HB2) (resid 38 and name   HN) 0 -1.78 4.39
 assign (resid 37 and name  HB2) (resid 39 and name   HN) 0 -1.78 4.27
 assign (resid 37 and name  HB2) (resid 46 and name   HN) 0 -1.78 5.13
 assign (resid 37 and name  HB2) (resid 46 and name  HB1) 0 -1.78 4.22
 assign (resid 37 and name  HB1) (resid 37 and name  HE#) 0 -1.78 4.36
 assign (resid 37 and name  HB1) (resid 38 and name   HN) 0 -1.78 4.29
 assign (resid 37 and name  HB1) (resid 39 and name   HN) 0 -1.78 3.89
 assign (resid 37 and name  HB1) (resid 46 and name   HN) 0 -1.78 5.01
 assign (resid 37 and name  HB1) (resid 46 and name  HB1) 0 -1.78 3.34
 assign (resid 37 and name  HG#) (resid 38 and name   HN) 0 -1.78 6.05
 assign (resid 37 and name  HG#) (resid 46 and name   HN) 0 -1.78 5.50
 assign (resid 37 and name  HG#) (resid 46 and name  HB1) 0 -1.78 5.55
 assign (resid 37 and name  HD#) (resid 46 and name  HB1) 0 -1.78 4.70
 !38 ALA
 assign (resid 38 and name   HN) (resid 39 and name   HN) 0 -1.78 3.22
 assign (resid 38 and name   HA) (resid 39 and name   HN) 0 -1.78 3.18
 assign (resid 38 and name  HB#) (resid 39 and name  HD2) 0 -1.78 5.24
 !39 HIS
 assign (resid 39 and name   HN) (resid 39 and name  HB2) 0 -1.78 3.88
 assign (resid 39 and name   HN) (resid 39 and name  HB1) 0 -1.78 3.88
 assign (resid 39 and name   HN) (resid 39 and name  HB#) 0 -1.78 3.58
 assign (resid 39 and name  HB2) (resid 40 and name   HN) 0 -1.78 3.95
 assign (resid 39 and name  HB1) (resid 40 and name   HN) 0 -1.78 3.95
 assign (resid 39 and name  HB#) (resid 40 and name   HN) 0 -1.78 3.77
 !40 GLY
 assign (resid 40 and name   HN) (resid 40 and name  HA1) 0 -1.78 2.94
 assign (resid 40 and name   HN) (resid 40 and name  HA2) 0 -1.78 2.94
 assign (resid 40 and name   HN) (resid 40 and name  HA#) 0 -1.78 2.60
 assign (resid 40 and name  HA1) (resid 41 and name   HA) 0 -1.78 3.45
 assign (resid 40 and name  HA2) (resid 41 and name   HA) 0 -1.78 3.45
 !41 PRO
 assign (resid 41 and name   HA) (resid 42 and name   HN) 0 -1.78 3.31
 assign (resid 41 and name  HB#) (resid 42 and name   HN) 0 -1.78 4.51
 assign (resid 41 and name   HA) (resid 43 and name   HN) 0 -1.78 4.11 
 assign (resid 41 and name  HB#) (resid 43 and name   HN) 0 -1.78 5.63
 assign (resid 41 and name  HD2) (resid 46 and name   HN) 0 -1.78 4.26
 assign (resid 41 and name  HD3) (resid 46 and name   HN) 0 -1.78 4.26
 assign (resid 41 and name  HD#) (resid 46 and name   HA) 0 -1.78 4.84
 assign (resid 41 and name  HD#) (resid 46 and name  HB1) 0 -1.78 5.56
 !42 THR
 assign (resid 42 and name   HN) (resid 42 and name   HB) 0 -1.78 3.59
 assign (resid 42 and name   HN) (resid 43 and name   HN) 0 -1.78 3.36
 assign (resid 42 and name   HA) (resid 43 and name   HN) 0 -1.78 3.39
 assign (resid 42 and name HG2#) (resid 43 and name   HN) 0 -1.78 5.75
 !43 ILE
 assign (resid 43 and name   HN) (resid 43 and name HG1#) 0 -1.78 5.20
 assign (resid 43 and name   HB) (resid 44 and name   HN) 0 -1.78 4.71
 assign (resid 43 and name HG1#) (resid 44 and name   HN) 0 -1.78 5.36
 !44 GLY
 assign (resid 44 and name  HA1) (resid 45 and name   HN) 0 -1.78 3.03
 assign (resid 44 and name  HA2) (resid 45 and name   HN) 0 -1.78 3.03
 assign (resid 44 and name  HA#) (resid 45 and name   HN) 0 -1.78 2.72
 assign (resid 44 and name  HA#) (resid 45 and name  HD1) 0 -1.78 5.07
 !45 TRP
 assign (resid 45 and name   HN) (resid 45 and name  HB2) 0 -1.78 3.73
 assign (resid 45 and name   HN) (resid 45 and name  HB1) 0 -1.78 4.14
 assign (resid 45 and name   HN) (resid 45 and name  HD1) 0 -1.78 3.81
 assign (resid 45 and name  HB2) (resid 45 and name  HD1) 0 -1.78 3.61
 assign (resid 45 and name  HB2) (resid 46 and name   HN) 0 -1.78 5.42
 assign (resid 45 and name  HB1) (resid 45 and name  HE3) 0 -1.78 3.75
 assign (resid 45 and name  HE3) (resid 46 and name   HN) 0 -1.78 5.03
 !46 CYS
 assign (resid 46 and name   HN) (resid 46 and name  HB2) 0 -1.78 3.66
 assign (resid 46 and name   HN) (resid 46 and name  HB1) 0 -1.78 3.92
 assign (resid 46 and name   HA) (resid 47 and name   HN) 0 -1.78 2.50
 assign (resid 46 and name  HB1) (resid 47 and name   HN) 0 -1.78 4.33
 !47 CYS
 assign (resid 47 and name   HN) (resid 48 and name   HN) 0 -1.78 4.32
 assign (resid 47 and name   HA) (resid 48 and name   HN) 0 -1.78 2.76
 assign (resid 47 and name  HB#) (resid 48 and name   HN) 0 -1.78 4.36
 !48 LYS
 assign (resid 48 and name   HN) (resid 48 and name  HB2) 0 -1.78 4.04
 assign (resid 48 and name   HN) (resid 48 and name  HB1) 0 -1.78 4.04
 assign (resid 48 and name   HN) (resid 48 and name  HB#) 0 -1.78 3.75
 assign (resid 48 and name   HN) (resid 48 and name  HG#) 0 -1.78 6.23
 assign (resid 48 and name   HA) (resid 49 and name   HN) 0 -1.78 2.69
 assign (resid 48 and name   HA) (resid 49 and name  HG#) 0 -1.78 5.93
 assign (resid 48 and name  HB2) (resid 49 and name   HN) 0 -1.78 4.16
 assign (resid 48 and name  HB1) (resid 49 and name   HN) 0 -1.78 4.16
 assign (resid 48 and name  HB#) (resid 49 and name   HN) 0 -1.78 3.84
 !49 GLN
 assign (resid 49 and name   HN) (resid 49 and name  HB2) 0 -1.78 3.31
 assign (resid 49 and name   HN) (resid 49 and name  HG2) 0 -1.78 3.94
 assign (resid 49 and name   HN) (resid 49 and name  HG1) 0 -1.78 3.94
 assign (resid 49 and name   HN) (resid 49 and name  HG#) 0 -1.78 3.66
 assign (resid 49 and name   HA) (resid 49 and name  HG#) 0 -1.78 3.78
 assign (resid 49 and name  HG#) (resid 49 and name HE22) 0 -1.78 3.90
 !NON-NOEs
 assign (resid 21 and name   HN) (resid  4 and name  HB1) 0 -3.50 50.00
 assign (resid 21 and name   HN) (resid  4 and name  HB2) 0 -3.50 50.00
 assign (resid 31 and name   HN) (resid 29 and name  HB1) 0 -3.50 50.00
 assign (resid 31 and name   HN) (resid 29 and name  HB2) 0 -3.50 50.00
 assign (resid 44 and name   HN) (resid 41 and name  HB1) 0 -3.50 50.00
 assign (resid 44 and name   HN) (resid 41 and name  HB2) 0 -3.50 50.00
 assign (resid 35 and name   HN) (resid 48 and name  HB1) 0 -3.50 50.00
 assign (resid 35 and name   HN) (resid 48 and name  HB2) 0 -3.50 50.00
 assign (resid  6 and name   HN) (resid 19 and name  HB1) 0 -3.50 50.00
 assign (resid  6 and name   HN) (resid 19 and name  HB2) 0 -3.50 50.00
 assign (resid 45 and name   HN) (resid 28 and name   HN) 0 -3.50 50.00
 assign (resid 46 and name   HN) (resid 29 and name   HN) 0 -3.50 50.00
 assign (resid 19 and name   HN) (resid  5 and name   HN) 0 -3.50 50.00
 assign (resid 44 and name   HN) (resid 42 and name   HN) 0 -3.50 50.00
 assign (resid 37 and name   HN) (resid 47 and name   HA) 0 -3.50 50.00



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